National Library of Energy BETA

Sample records for multicomponent geothermometers silica

  1. Geochemical Techniques | Open Energy Information

    Open Energy Info (EERE)

    Geothermometers Multicomponent Geothermometers Silica Geothermometers Thermal Ion Dispersion Thermochronometry References General References Technical References No exploration...

  2. Multicomponent Geothermometers | Open Energy Information

    Open Energy Info (EERE)

    of using full chemical analyses of water samples to compute the saturation indices (log(QK)) of reservoir minerals over a range of temperatures. The saturation indices are graphed...

  3. Silica Geothermometers | Open Energy Information

    Open Energy Info (EERE)

    in the Past 20 Years: Geochemistry in Geothermal Exploration, Resource Evaluation and Reservoir Management 2.0 2.1 Lectures on Geochemical Interpretation of Hydrothermal...

  4. Evaluation Of Chemical Geothermometers For Calculating Reservoir...

    Open Energy Info (EERE)

    Geothermometers For Calculating Reservoir Temperatures At Nevada Geothermal Power Plants Jump to: navigation, search OpenEI Reference LibraryAdd to library Conference Paper:...

  5. New Improved Equations For Na-K, Na-Li And Sio2 Geothermometers...

    Open Energy Info (EERE)

    Improved Equations For Na-K, Na-Li And Sio2 Geothermometers By Outlier Detection And Rejection Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article:...

  6. Multicomponent membranes

    DOE Patents [OSTI]

    Kulprathipanja, Santi; Kulkarni, Sudhir S.; Funk, Edward W.

    1988-01-01

    A multicomponent membrane which may be used for separating various components which are present in a fluid feed mixture comprises a mixture of a plasticizer such as a glycol and an organic polymer cast upon a porous organic polymer support. The membrane may be prepared by casting an emulsion or a solution of the plasticizer and polymer on the porous support, evaporating the solvent and recovering the membrane after curing.

  7. Derivation and calibration of semi-empirical gas geothermometers for Mahanagdong Geothermal Project, Philippines

    SciTech Connect (OSTI)

    Sanchez, D.R.

    1996-12-31

    The dissolved CO{sub 2}, H{sub 2}S, and H{sub 2} gases in Mahanagdong aquifer fluids are controlled by specific gas-mineral equilibria. At temperature range of 250 to 310 {degrees}C, CO{sub 2} is buffered by clinozoisite + K-feldspar + calcite + muscovite (illite) + quartz mineral assemblage. For H{sub 2}S and H{sub 2} dissolved gases, they are more likely buffered by pyrrhotite + pyrite + magnetite mineral assemblage at similar temperature range. Calibration of five Mahanagdong (MG) gas geothermometers is presented, three of which used CO{sub 2}, H{sub 2}S, and H{sub 2} concentration in steam. The remaining two use CO{sub 2}/H{sub 2} and H{sub 2}S/H{sub 2} ratios. The calibration is based on the relation between gas content of drillhole discharges and measured aquifer temperatures. After establishing the gas content in the aquifer, gas concentrations were computed in steam after adiabatic boiling to atmospheric condition (100 {degrees}C), to obtain gas geothermometry functions. These functions could also be used in evaluating fraction of steam condensation and temperature of phase separation. A demonstration given the Mahanagdong fumarole data, indicates that there is generally a fair relation between computed temperatures using Mahanagdong gas geothermometers and the actual field trend`s temperatures.

  8. New Design Methods and Algorithms for Multi-component Distillation...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Design Methods and Algorithms for Multi-component Distillation Processes New Design Methods and Algorithms for Multi-component Distillation Processes PDF icon multicomponent.pdf ...

  9. Evaporation of multicomponent drop arrays

    SciTech Connect (OSTI)

    Annamalai, K.; Ryan, W.; Chandra, S. (Texas A M Univ., College Station, TX (United States))

    1993-08-01

    The present paper deals with the evaporation of multicomponent fuel droplets in an array using the recently developed point source method (PSM). First, the quasisteady (QS) evaporation of an isolated, multicomponent droplet is briefly analyzed. The resultant governing equations, along with Raoult's law and the Cox-Antoine relation, constitute the set of equations needed to arrive at the solutions for: (1) the droplet surface temperature, (2) the evaporation rate of each species, and (3) the vapor mass fraction of each species at the droplet surface. The PSM, which treats the droplet as a point mass source and heat sink, is then adopted to obtain an analytic expression for the evaporation rate of a multicomponent droplet in an array of liquid droplets. Defining the correction factor ([eta]) as a ratio of the evaporation of a drop in an array to the evaporation rate of a similar isolated multicomponent drop, an expression for the correction factor is obtained. The results of the point source method (PSM) are then compared with those obtained elsewhere for a three-drop array that uses the method of images (MOI). Excellent agreement is obtained. The treatment is then extended to a binary drop array to study the effect of interdrop spacing on vaporization. 20 refs., 11 figs., 4 tabs.

  10. A Multicomponent Blend as a Diesel Fuel Surrogate for Compression...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications Title A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition...

  11. DNA-mediated engineering of multicomponent enzyme crystals (Journal...

    Office of Scientific and Technical Information (OSTI)

    DNA-mediated engineering of multicomponent enzyme crystals Citation Details In-Document Search Title: DNA-mediated engineering of multicomponent enzyme crystals Authors: Brodin, ...

  12. Enthalpy Diffusion in Multicomponent Flows

    SciTech Connect (OSTI)

    Cook, A W

    2008-11-12

    The enthalpy diffusion flux in the multicomponent energy equation is a well known yet frequently neglected term. It accounts for energy changes, associated with compositional changes, resulting from species diffusion. Enthalpy diffusion is important in flows where significant mixing occurs between species of dissimilar molecular weight. The term plays a critical role in preventing local violations of the entropy condition. In simulations of nonpremixed combustion, omission of the enthalpy flux can lead to anomalous temperature gradients, which may cause mixing regions to exceed ignition conditions. The term can also play a role in generating acoustic noise in turbulent mixing layers. Euler solvers that rely on numerical diffusion to mix fluids cannot accurately predict the temperature in mixed regions. On the other hand, Navier-Stokes solvers that incorporate enthalpy diffusion can provide much more accurate results.

  13. Multi-component assembly casting

    DOE Patents [OSTI]

    James, Allister W.

    2015-10-13

    Multi-component vane segment and method for forming the same. Assembly includes: positioning a pre-formed airfoil component (12) and a preformed shroud heat resistant material (18) in a mold, wherein the airfoil component (12) and the shroud heat resistant material (18) each comprises an interlocking feature (24); preheating the mold; introducing molten structural material (46) into the mold; and solidifying the molten structural material such that it interlocks the pre-formed airfoil component (12) with respect to the preformed shroud heat resistant material (18) and is effective to provide structural support for the shroud heat resistant material (18). Surfaces between the airfoil component (12) and the structural material (46), between the airfoil component (12) and the shroud heat resistant material (18), and between the shroud heat resistant material (18) and the structural material (46) are free of metallurgical bonds.

  14. Engineering MulticomponentNanocatalystsfor Oxygen Reduction (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Engineering MulticomponentNanocatalystsfor Oxygen Reduction Citation Details In-Document Search Title: Engineering MulticomponentNanocatalystsfor Oxygen Reduction Authors: Guo, Shaojun [1] + Show Author Affiliations Los Alamos National Laboratory [Los Alamos National Laboratory Publication Date: 2014-03-27 OSTI Identifier: 1126640 Report Number(s): LA-UR-13-28233 DOE Contract Number: AC52-06NA25396 Resource Type: Conference Resource Relation: Conference: 247th ACS National

  15. Engineering MulticomponentNanocatalystsfor Oxygen Reduction (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Engineering MulticomponentNanocatalystsfor Oxygen Reduction Citation Details In-Document Search Title: Engineering MulticomponentNanocatalystsfor Oxygen Reduction × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy science and technology. A paper copy of

  16. Laser ultrasonic multi-component imaging

    DOE Patents [OSTI]

    Williams, Thomas K.; Telschow, Kenneth

    2011-01-25

    Techniques for ultrasonic determination of the interfacial relationship of multi-component systems are discussed. In implementations, a laser energy source may be used to excite a multi-component system including a first component and a second component at least in partial contact with the first component. Vibrations resulting from the excitation may be detected for correlation with a resonance pattern indicating if discontinuity exists at the interface of the first and second components.

  17. Multicomponent liquid ion exchange with chabazite zeolites

    SciTech Connect (OSTI)

    Robinson, S.M.; Arnold, W.D. Jr.; Byers, C.W.

    1993-10-01

    In spite of the increasing commercial use of zeolites for binary and multicomponent sorption, the understanding of the basic mass-transfer processes associated with multicomponent zeolite ion-exchange systems is quite limited. This study was undertaken to evaluate Na-Ca-Mg-Cs-Sr ion exchange from an aqueous solution using a chabazite zeolite. Mass-transfer coefficients and equilibrium equations were determined from experimental batch-reactor data for single and multicomponent systems. The Langmuir isotherm was used to represent the equilibrium relationship for binary systems, and a modified Dubinin-Polyani model was used for the multicomponent systems. The experimental data indicate that diffusion through the microporous zeolite crystals is the primary diffusional resistance. Macropore diffusion also significantly contributes to the mass-transfer resistance. Various mass-transfer models were compared to the experimental data to determine mass-transfer coefficients. Effective diffusivities were obtained which accurately predicted experimental data using a variety of models. Only the model which accounts for micropore and macropore diffusion occurring in series accurately predicted multicomponent data using single-component diffusivities. Liquid and surface diffusion both contribute to macropore diffusion. Surface and micropore diffusivities were determined to be concentration dependent.

  18. New Design Methods and Algorithms for Multi-component Distillation

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Processes | Department of Energy Design Methods and Algorithms for Multi-component Distillation Processes New Design Methods and Algorithms for Multi-component Distillation Processes PDF icon multicomponent.pdf More Documents & Publications CX-100137 Categorical Exclusion Determination DEVELOPMENT OF METHOD AND ALGORITHMS TO IDENTIFY EASILY IMPLEMENTABLE ENERGY-EFFICIENT LOW-COST MULTICOMPONENT DISTILLATION COLUMN TRAINS WITH LARGE ENERGY SAVINGS FOR WIDE NUMBER OF SEPARATIONS ITP

  19. Multifunctional mesoporous silica catalyst

    DOE Patents [OSTI]

    Lin, Victor Shang-Yi; Tsai, Chih-Hsiang; Chen, Hung-Ting; Pruski, Marek; Kobayashi, Takeshi

    2015-03-31

    The present invention provides bifunctional silica mesoporous materials, including mesoporous silica nanoparticles ("MSN"), having pores modified with diarylammonium triflate and perfluoroaryl moieties, that are useful for the acid-catalyzed esterification of organic acids with organic alcohols.

  20. Silica extraction from geothermal water

    DOE Patents [OSTI]

    Bourcier, William L; Bruton, Carol J

    2014-09-23

    A method of producing silica from geothermal fluid containing low concentration of the silica of less than 275 ppm includes the steps of treating the geothermal fluid containing the silica by reverse osmosis treatment thereby producing a concentrated fluid containing the silica, seasoning the concentrated fluid thereby producing a slurry having precipitated colloids containing the silica, and separating the silica from the slurry.

  1. Property:HydroInfo | Open Energy Information

    Open Energy Info (EERE)

    Multicomponent Geothermometers N Near Infrared Surveys O Oblique Aerial & Ground Visible Band & Thermographic Imaging Over Core Stress P Paleomagnetic Measurements...

  2. Silica Scaling Removal Process

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Scaling Removal Process Scientists at Los Alamos National Laboratory have developed a novel technology to remove both dissolved and colloidal silica using small gel particles....

  3. Silica Deposition | Open Energy Information

    Open Energy Info (EERE)

    silica precipitating out of solution. Geothermal fluids are often silica rich and as the temperature of the fluids cool when they reach the surface silica precipitates out of the...

  4. Multi-component Nanoparticle Based Lubricant Additive to Improve...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Nanoparticle Based Lubricant Additive to Improve Efficiency and Durability in Engines Multi-component Nanoparticle Based Lubricant Additive to Improve Efficiency and ...

  5. Multi-component Cu-Strengthened Steel Welding Simulations: Atom...

    Office of Scientific and Technical Information (OSTI)

    Steel Welding Simulations: Atom Probe Tomography and Synchrotron X-ray Diffraction Analyses Citation Details In-Document Search Title: Multi-component Cu-Strengthened Steel Welding ...

  6. Cation Geothermometers | Open Energy Information

    Open Energy Info (EERE)

    prospect the fastest is obtaining attractive chemical confirmation (geothermometry, gas analyses) that a thermal resource exists in that location. As with all geothermal...

  7. I I I . Isotherm al Multicomponent Systems

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nonequilibrium C ontrib ution to the Rate o f R eaction I I I . Isotherm al Multicomponent Systems t B. S h izg a l* Department o f C hem istry, Harvard U n iv e r sity Cambridge, M assachusetts and Lorentz I n s t it u t e fo r T h e o r e tic a l P h y sics L eid en , N etherlands and M. Karplus Department o f C hem istry, Harvard U n iv e r sity Cambridge, M assachusetts ----------------------------- L E G A L N O T I C E ----------------------------- T his report w as prepared as an accou n

  8. Kinetics of silica polymerization

    SciTech Connect (OSTI)

    Weres, O.; Yee, A.; Tsao, L.

    1980-05-01

    The polymerization of silicic acid in geothermal brine-like aqueous solutions to produce amorphous silica in colloidal form has been studied experimentally and theoretically. A large amount of high quality experimental data has been generated over the temperature rang 23 to 100{sup 0}C. Wide ranges of dissolved silica concentration, pH, and sodium chloride concentration were covered. The catalytic effects of fluoride and the reaction inhibiting effects of aluminum and boron were studied also. Two basic processes have been separately studied: the formation of new colloidal particles by the homogeneous nucleation process and the deposition of dissolved silica on pre-existing colloidal particles. A rigorous theory of the formation of colloidal particles of amorphous silica by homogeneous nucleation was developed. This theory employs the Lothe-Pound formalism, and is embodied in the computer code SILNUC which quantitatively models the homogeneous nucleation and growth of colloidal silica particles in more than enough detail for practical application. The theory and code were extensively used in planning the experimental work and analyzing the data produced. The code is now complete and running in its final form. It is capable of reproducing most of the experimental results to within experimental error. It is also capable of extrapolation to experimentally inaccessible conditions, i.e., high temperatures, rapidly varying temperature and pH, etc.

  9. Silica Precipitation and Lithium Sorption

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Jay Renew

    2015-09-20

    This file contains silica precipitation and lithium sorption data from the project. The silica removal data is corrected from the previous submission. The previous submission did not take into account the limit of detection of the ICP-MS procedure.

  10. Mineral Selection for Multicomponent Equilibrium Geothermometry

    SciTech Connect (OSTI)

    Plamer, C. D.; Ohly, S. R.; Smith, R. W.; Neupane, G.; McLing, T.; Mattson, E.

    2015-04-01

    Multicomponent geothermometry requires knowledge of the mineral phases in the reservoir with which the geothermal fluids may be equilibrated. These minerals phases are most often alteration products rather than primary minerals. We have reviewed the literature on geothermal systems representing most major geologic environments typically associated with geothermal activity and identified potential alteration products in various environments. We have included this information in RTEst, a code we have developed to estimate reservoir conditions (temperature, CO2 fugacity) from the geochemistry of near-surface geothermal waters. The information has been included in RTEst through the addition of filters that decrease the potential number of minerals from all possibilities based on the basis species to those that are more relevant to the particular conditions in which the user is interested. The three groups of filters include host rock type (tholeiitic, calc-alkaline, silicic, siliciclastic, carbonate), water type (acidic, neutral), and the temperature range over which the alteration minerals were formed (low, medium, high). The user-chosen mineral assemblage is checked to make sure that it does not violate the Gibbs phase rule. The user can select one of three mineral saturation weighting schemes that decrease the chance the optimization from being skewed by reaction stoichiometry or analytical uncertainty.

  11. Mineral Selection for Multicomponent Equilibrium Geothermometry

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Plamer, C. D.; Ohly, S. R.; Smith, R. W.; Neupane, G.; McLing, T.; Mattson, E.

    2015-04-01

    Multicomponent geothermometry requires knowledge of the mineral phases in the reservoir with which the geothermal fluids may be equilibrated. These minerals phases are most often alteration products rather than primary minerals. We have reviewed the literature on geothermal systems representing most major geologic environments typically associated with geothermal activity and identified potential alteration products in various environments. We have included this information in RTEst, a code we have developed to estimate reservoir conditions (temperature, CO2 fugacity) from the geochemistry of near-surface geothermal waters. The information has been included in RTEst through the addition of filters that decrease the potential numbermore » of minerals from all possibilities based on the basis species to those that are more relevant to the particular conditions in which the user is interested. The three groups of filters include host rock type (tholeiitic, calc-alkaline, silicic, siliciclastic, carbonate), water type (acidic, neutral), and the temperature range over which the alteration minerals were formed (low, medium, high). The user-chosen mineral assemblage is checked to make sure that it does not violate the Gibbs phase rule. The user can select one of three mineral saturation weighting schemes that decrease the chance the optimization from being skewed by reaction stoichiometry or analytical uncertainty.« less

  12. MPH: A Library for Distributed Multi-Component Environment

    Energy Science and Technology Software Center (OSTI)

    2001-05-01

    A growing trend in developing large and complex applications on today's Teraflops compyters is to integrate stand-alone and/or semi-independent program components into a comprehensive simulation package. We develop MPH, a multi-component handshaking library that allows component models recognize and talk to each other in a convenient and consisten way, thus to run multi-component ulti-executable applications effectively on distributed memory architectures. MPH provides the following capabilities: component name registration, resource allocation, inter-component communication, inquiry on themore » multi-component environment, standard in/out redirect. It supports the following four integration mechanisms: Multi-Component Single-Executable (MCSE); Single-Component Multi-Executable (SCME); Multi-Component Multi-Executable (MCME); Multi-instance Multi-Executable (MIME). MPH currently works on IBM SP, SGI Origin, Compaq AlphaSC, Cray T3E, and PC clusters. It is being adopted in NCAR's CCSM and Colorado State University's icosahedra grid coupled model. A joint communicator between any two components could be created. MPI communication between local processors and remote processors are invoked through component names and the local id. More functions are available to inquire the global-id, local-id, number of executales, etc.« less

  13. Property:StratInfo | Open Energy Information

    Open Energy Info (EERE)

    Microhole Array Multicomponent Geothermometers N Near Infrared Surveys O Oblique Aerial & Ground Visible Band & Thermographic Imaging Observation Wells Over Core Stress P...

  14. Method for producing nanocrystalline multicomponent and multiphase materials

    DOE Patents [OSTI]

    Eastman, J.A.; Rittner, M.N.; Youngdahl, C.J.; Weertman, J.R.

    1998-03-17

    A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound. 6 figs.

  15. Method for producing nanocrystalline multicomponent and multiphase materials

    DOE Patents [OSTI]

    Eastman, Jeffrey A. (Woodridge, IL); Rittner, Mindy N. (Des Plaines, IL); Youngdahl, Carl J. (Westmont, IL); Weertman, Julia R. (Evanston, IL)

    1998-01-01

    A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound.

  16. Method for FractMethod for Fracture Detection Using Multicomponent Seismic

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Dataure Detection Using Multicomponent Seismic Data - Energy Innovation Portal Method for FractMethod for Fracture Detection Using Multicomponent Seismic Dataure Detection Using Multicomponent Seismic Data Dr. Bryan DeVault Department of Geophysics Colorado School of Mines Contact CSM About This Technology Technology Marketing SummaryThis invention provides a method for detecting fractures in the subsurface of the earth's crust by using seismic shear waves. DescriptionAdditionally, it can be

  17. Stabilized fuel with silica support structure

    SciTech Connect (OSTI)

    Poco, J.F.; Hrubesh, L.W.

    1991-12-31

    This report describes a stabilized fuel which is supported by a silica support structure. The silica support structure provides a low density, high porosity vehicle for safely carrying hydrocarbon fuels. The silica support structure for hydrocarbon fuel does not produce toxic material residues on combustion which would pose environmentally sensitive disposal problems. The silica stabilized fuel composition is useful as a low temperature, continuous burning fire starter for wood or charcoal.

  18. Removal of dissolved and colloidal silica

    DOE Patents [OSTI]

    Midkiff, William S.

    2002-01-01

    Small amorphous silica particles are used to provide a relatively large surface area upon which silica will preferentially adsorb, thereby preventing or substantially reducing scaling caused by deposition of silica on evaporative cooling tower components, especially heat exchange surfaces. The silica spheres are contacted by the cooling tower water in a sidestream reactor, then separated using gravity separation, microfiltration, vacuum filtration, or other suitable separation technology. Cooling tower modifications for implementing the invention process have been designed.

  19. Analysis of gas centrifuge cascade for separation of multicomponent isotopes and optimal feed position

    SciTech Connect (OSTI)

    Chuntong Ying; Hongjiang Wu; Mingsheng Zhou; Yuguang Nie; Guangjun Liu

    1997-10-01

    Analysis of the concentration distribution in a gas centrifuge cascade for separation of multicomponent isotope mixtures is different from that in a cascade for separation of two-component mixtures. This paper presents the governing equations for a multicomponent isotope separation cascade. Numerically predicted separation factors for the gas centrifuge cascade agree well with the experimental data. A theoretical optimal feed position is derived for a short square cascade for a two-component mixture in a close-separation case. The optimal feed position for a gas centrifuge cascade for separation of multicomponent mixture is discussed.

  20. A generalized procedure for the prediction of multicomponent adsorption equilibria

    SciTech Connect (OSTI)

    Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas

    2015-01-01

    Prediction of multicomponent adsorption equilibria has been investigated for several decades. While there are theories available to predict the adsorption behavior of ideal mixtures, there are few purely predictive theories to account for nonidealities in real systems. Most models available for dealing with nonidealities contain interaction parameters that must be obtained through correlation with binary-mixture data. However, as the number of components in a system grows, the number of parameters needed to be obtained increases exponentially. Here, a generalized procedure is proposed, as an extension of the predictive real adsorbed solution theory, for determining the parameters of any activity model, for any number of components, without correlation. This procedure is then combined with the adsorbed solution theory to predict the adsorption behavior of mixtures. As this method can be applied to any isotherm model and any activity model, it is referred to as the generalized predictive adsorbed solution theory.

  1. A generalized procedure for the prediction of multicomponent adsorption equilibria

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas

    2015-01-01

    Prediction of multicomponent adsorption equilibria has been investigated for several decades. While there are theories available to predict the adsorption behavior of ideal mixtures, there are few purely predictive theories to account for nonidealities in real systems. Most models available for dealing with nonidealities contain interaction parameters that must be obtained through correlation with binary-mixture data. However, as the number of components in a system grows, the number of parameters needed to be obtained increases exponentially. Here, a generalized procedure is proposed, as an extension of the predictive real adsorbed solution theory, for determining the parameters of any activity model,more » for any number of components, without correlation. This procedure is then combined with the adsorbed solution theory to predict the adsorption behavior of mixtures. As this method can be applied to any isotherm model and any activity model, it is referred to as the generalized predictive adsorbed solution theory.« less

  2. Multi-component intermetallic electrodes for lithium batteries

    DOE Patents [OSTI]

    Thackeray, Michael M; Trahey, Lynn; Vaughey, John T

    2015-03-10

    Multi-component intermetallic negative electrodes prepared by electrochemical deposition for non-aqueous lithium cells and batteries are disclosed. More specifically, the invention relates to composite intermetallic electrodes comprising two or more compounds containing metallic or metaloid elements, at least one element of which can react with lithium to form binary, ternary, quaternary or higher order compounds, these compounds being in combination with one or more other metals that are essentially inactive toward lithium and act predominantly, but not necessarily exclusively, to the electronic conductivity of, and as current collection agent for, the electrode. The invention relates more specifically to negative electrode materials that provide an operating potential between 0.05 and 2.0 V vs. metallic lithium.

  3. New Design Methods and Algorithms for Multi-component Distillation Processes

    SciTech Connect (OSTI)

    2009-02-01

    This factsheet describes a research project whose main goal is to develop methods and software tools for the identification and analysis of optimal multi-component distillation configurations for reduced energy consumption in industrial processes.

  4. Cellular membrane trafficking of mesoporous silica nanoparticles

    SciTech Connect (OSTI)

    Fang, I-Ju

    2012-06-21

    This dissertation mainly focuses on the investigation of the cellular membrane trafficking of mesoporous silica nanoparticles. We are interested in the study of endocytosis and exocytosis behaviors of mesoporous silica nanoparticles with desired surface functionality. The relationship between mesoporous silica nanoparticles and membrane trafficking of cells, either cancerous cells or normal cells was examined. Since mesoporous silica nanoparticles were applied in many drug delivery cases, the endocytotic efficiency of mesoporous silica nanoparticles needs to be investigated in more details in order to design the cellular drug delivery system in the controlled way. It is well known that cells can engulf some molecules outside of the cells through a receptor-ligand associated endocytosis. We are interested to determine if those biomolecules binding to cell surface receptors can be utilized on mesoporous silica nanoparticle materials to improve the uptake efficiency or govern the mechanism of endocytosis of mesoporous silica nanoparticles. Arginine-glycine-aspartate (RGD) is a small peptide recognized by cell integrin receptors and it was reported that avidin internalization was highly promoted by tumor lectin. Both RGD and avidin were linked to the surface of mesoporous silica nanoparticle materials to investigate the effect of receptor-associated biomolecule on cellular endocytosis efficiency. The effect of ligand types, ligand conformation and ligand density were discussed in Chapter 2 and 3. Furthermore, the exocytosis of mesoporous silica nanoparticles is very attractive for biological applications. The cellular protein sequestration study of mesoporous silica nanoparticles was examined for further information of the intracellular pathway of endocytosed mesoporous silica nanoparticle materials. The surface functionality of mesoporous silica nanoparticle materials demonstrated selectivity among the materials and cancer and normal cell lines. We aimed to determine the specific organelle that mesoporous silica nanoparticles could approach via the identification of harvested proteins from exocytosis process. Based on the study of endo- and exocytosis behavior of mesoporous silica nanoparticle materials, we can design smarter drug delivery vehicles for cancer therapy that can be effectively controlled. The destination, uptake efficiency and the cellular distribution of mesoporous silica nanoparticle materials can be programmable. As a result, release mechanism and release rate of drug delivery systems can be a well-controlled process. The deep investigation of an endo- and exocytosis study of mesoporous silica nanoparticle materials promotes the development of drug delivery applications.

  5. Non-destructively shattered mesoporous silica for protein drug...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Non-destructively shattered mesoporous silica for protein drug delivery Citation Details In-Document Search Title: Non-destructively shattered mesoporous silica ...

  6. Synthesis of very small diameter silica nanofibers using sound...

    Office of Scientific and Technical Information (OSTI)

    silica nanofibers using sound waves Citation Details In-Document Search Title: Synthesis of very small diameter silica nanofibers using sound waves Authors: Sharma, ...

  7. Effect of Bubbles and Silica Dissolution on Melter Feed Rheology...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Effect of Bubbles and Silica Dissolution on Melter Feed Rheology during Conversion to Glass Citation Details In-Document Search Title: Effect of Bubbles and Silica ...

  8. Coagulation chemistries for silica removal from cooling tower...

    Office of Scientific and Technical Information (OSTI)

    Coagulation chemistries for silica removal from cooling tower water. Citation Details In-Document Search Title: Coagulation chemistries for silica removal from cooling tower water. ...

  9. Addressable morphology control of silica structures by manipulating...

    Office of Scientific and Technical Information (OSTI)

    Addressable morphology control of silica structures by manipulating the reagent addition time Citation Details In-Document Search Title: Addressable morphology control of silica ...

  10. Flue gas injection control of silica in cooling towers. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Flue gas injection control of silica in cooling towers. Citation Details In-Document Search Title: Flue gas injection control of silica in cooling towers. ...

  11. Sample Desorption/Onization From Mesoporous Silica

    DOE Patents [OSTI]

    Iyer, Srinivas (Los Alamos, NM); Dattelbaum, Andrew M. (Los Alamos, NM)

    2005-10-25

    Mesoporous silica is shown to be a sample holder for laser desorption/ionization of mass spectrometry. Supported mesoporous silica was prepared by coating an ethanolic silicate solution having a removable surfactant onto a substrate to produce a self-assembled, ordered, nanocomposite silica thin film. The surfactant was chosen to provide a desired pore size between about 1 nanometer diameter and 50 nanometers diameter. Removal of the surfactant resulted in a mesoporous silica thin film on the substrate. Samples having a molecular weight below 1000, such as C.sub.60 and tryptophan, were adsorbed onto and into the mesoporous silica thin film sample holder and analyzed using laser desorption/ionization mass spectrometry.

  12. Multi-component solid solution alloys having high mixing entropy

    DOE Patents [OSTI]

    Bei, Hongbin

    2015-10-06

    A multi-component high-entropy alloy includes a composition selected from the following group: VNbTaTiMoWRe, VNbTaTiMoW, VNbTaTiMoRe, VNbTaTiWRe, VNbTaMoWRe, VNbTiMoWRe, VTaTiMoWRe, NbTaTiMoWRe, VNbTaTiMo, VNbTaTiW, VNbTaMoW, VNbTiMoW, VTaTiMoW, NbTaTiMoW, VNbTaTiRe, VNbTaMoRe, VNbTiMoRe, VTaTiMoRe, NbTaTiMoRe, VNbTaWRe, VNbTiWRe, VTaTiWRe, NbTaTiWRe, VNbMoWRe, VTaMoWRe, NbTaMoWRe, VTiMoWRe, NbTiMoWRe, TaTiMoWRe, wherein relative amounts of each element vary by no more than .+-.15 atomic %.

  13. Sputter deposition for multi-component thin films

    DOE Patents [OSTI]

    Krauss, A.R.; Auciello, O.

    1990-05-08

    Ion beam sputter-induced deposition using a single ion beam and a multicomponent target is capable of reproducibly producing thin films of arbitrary composition, including those which are close to stoichiometry. Using a quartz crystal deposition monitor and a computer controlled, well-focused ion beam, this sputter-deposition approach is capable of producing metal oxide superconductors and semiconductors of the superlattice type such as GaAs-AlGaAs as well as layered metal/oxide/semiconductor/superconductor structures. By programming the dwell time for each target according to the known sputtering yield and desired layer thickness for each material, it is possible to deposit composite films from a well-controlled sub-monolayer up to thicknesses determined only by the available deposition time. In one embodiment, an ion beam is sequentially directed via a set of X-Y electrostatic deflection plates onto three or more different element or compound targets which are constituents of the desired film. In another embodiment, the ion beam is directed through an aperture in the deposition plate and is displaced under computer control to provide a high degree of control over the deposited layer. In yet another embodiment, a single fixed ion beam is directed onto a plurality of sputter targets in a sequential manner where the targets are each moved in alignment with the beam under computer control in forming a multilayer thin film. This controlled sputter-deposition approach may also be used with laser and electron beams. 10 figs.

  14. Sputter deposition for multi-component thin films

    DOE Patents [OSTI]

    Krauss, Alan R.; Auciello, Orlando

    1990-01-01

    Ion beam sputter-induced deposition using a single ion beam and a multicomponent target is capable of reproducibly producing thin films of arbitrary composition, including those which are close to stoichiometry. Using a quartz crystal deposition monitor and a computer controlled, well-focused ion beam, this sputter-deposition approach is capable of producing metal oxide superconductors and semiconductors of the superlattice type such as GaAs-AlGaAs as well as layered metal/oxide/semiconductor/superconductor structures. By programming the dwell time for each target according to the known sputtering yield and desired layer thickness for each material, it is possible to deposit composite films from a well-controlled sub-monolayer up to thicknesses determined only by the available deposition time. In one embodiment, an ion beam is sequentially directed via a set of X-Y electrostatic deflection plates onto three or more different element or compound targets which are constituents of the desired film. In another embodiment, the ion beam is directed through an aperture in the deposition plate and is displaced under computer control to provide a high degree of control over the deposited layer. In yet another embodiment, a single fixed ion beam is directed onto a plurality of sputter targets in a sequential manner where the targets are each moved in alignment with the beam under computer control in forming a multilayer thin film. This controlled sputter-deposition approach may also be used with laser and electron beams.

  15. Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO2, N-2, and H2O

    SciTech Connect (OSTI)

    Mason, JA; McDonald, TM; Bae, TH; Bachman, JE; Sumida, K; Dutton, JJ; Kaye, SS; Long, JR

    2015-04-15

    Despite the large number of metal-organic frameworks that have been studied in the context of post-combustion carbon capture, adsorption equilibria of gas mixtures including CO2, N-2, and H2O, which are the three biggest components of the flue gas emanating from a coal- or natural gas-fired power plant, have never been reported. Here, we disclose the design and validation of a high-throughput multicomponent adsorption instrument that can measure equilibrium adsorption isotherms for mixtures of gases at conditions that are representative of an actual flue gas from a power plant. This instrument is used to study 15 different metal-organic frameworks, zeolites, mesoporous silicas, and activated carbons representative of the broad range of solid adsorbents that have received attention for CO2 capture. While the multicomponent results presented in this work provide many interesting fundamental insights, only adsorbents functionalized with alkylamines are shown to have any significant CO2 capacity in the presence of N-2 and H2O at equilibrium partial pressures similar to those expected in a carbon capture process. Most significantly, the amine-appended metal organic framework mmen-Mg-2(dobpdc) (mmen = N,N'-dimethylethylenediamine, dobpdc (4-) = 4,4'-dioxido-3,3'-biphenyldicarboxylate) exhibits a record CO2 capacity of 4.2 +/- 0.2 mmol/g (16 wt %) at 0.1 bar and 40 degrees C in the presence of a high partial pressure of H2O.

  16. Modification of silica gel by organotitanium compounds

    SciTech Connect (OSTI)

    Khrustaleva, E.A.; Abramova, V.I.; Suvorov, A.L.; Fridman, L.I.

    1988-05-10

    The study of the modification of silica gels by various organotitanium compounds (OTC) is of interest in connection with their possible use as specific adsorbents, catalysts in the preparation of filled polymeric materials. The authors studied the modification of silica gel by OTC of different types in order to obtain reactive functional organic groups bound to titanium atoms on its surface. During treatment of silica gel with organotitanium compounds of different types in an organic solvent, these react chemically with the hydroxylic groups of silica gel to form Si-O-Ti groups on the surface, containing organic radicals bound to the titanium atom. In the case of coordinatively unsaturated OTC, increase in the time of interaction of the components on heating and excess OTC lead to partial splitting of the Si-O-Ti bonds, which is not observed for coordinatively saturated OTC.

  17. Quantitative planar laser-induced fluorescence imaging of multi-component

    Office of Scientific and Technical Information (OSTI)

    fuel/air mixing in a firing gasoline-direct-injection engine: Effects of residual exhaust gas on quantitative PLIF (Journal Article) | SciTech Connect Journal Article: Quantitative planar laser-induced fluorescence imaging of multi-component fuel/air mixing in a firing gasoline-direct-injection engine: Effects of residual exhaust gas on quantitative PLIF Citation Details In-Document Search Title: Quantitative planar laser-induced fluorescence imaging of multi-component fuel/air mixing in a

  18. The Management of Silica in Los Alamos National Laboratory Tap Water - A Study of Silica Solubility

    SciTech Connect (OSTI)

    Wohlberg, C.; Worland, V.P.; Kozubal, M.A.; Erickson, G.F.; Jacobson, H.M.; McCarthy, K.T.

    1999-07-01

    Well water at Los Alamos National Laboratory (LANL) has a silica (SiO{sub 2}) content of 60 to 100 mg/L, with 4 mg/L of magnesium, 13 mg/L calcium and lesser concentrations of other ions. On evaporation in cooling towers, when the silica concentration reaches 150 to 220 mg/L, silica deposits on heat transfer surfaces. When the high silica well water is used in the reprocessing of plutonium, silica remains in solution at the end of the process and creates a problem of removal from the effluent prior to discharge or evaporation. The work described in this Report is divided into two major parts. The first part describes the behavior of silica when the water is evaporated at various conditions of pH and in the presence of different classes of anions: inorganic and organic. In the second part of this work it was found that precipitation (floccing) of silica was a function of solution pH and mole ratio of metal to silica.

  19. High resolution patterning of silica aerogels

    SciTech Connect (OSTI)

    Bertino, M.F.; Hund, J.F.; Sosa, J.; Zhang, G.; Sotiriou-Leventis, C.; Leventis, N.; Tokuhiro, A.T.; Terry, J. (UMR-MUST); (IIT)

    2008-10-30

    Three-dimensional metallic structures are fabricated with high spatial resolution in silica aerogels. In our method, silica hydrogels are prepared with a standard base-catalyzed route, and exchanged with an aqueous solution typically containing Ag{sup +} ions (1 M) and 2-propanol (0.2 M). The metal ions are reduced photolytically with a table-top ultraviolet lamp, or radiolytically, with a focused X-ray beam. We fabricated dots and lines as small as 30 x 70 {micro}m, protruding for several mm into the bulk of the materials. The hydrogels are eventually supercritically dried to yield aerogels, without any measurable change in the shape and spatial resolution of the lithographed structures. Transmission electron microscopy shows that illuminated regions are composed by Ag clusters with a size of several {micro}m, separated by thin layers of silica.

  20. Mesoporous-silica films, fibers, and powders by evaporation ...

    Office of Scientific and Technical Information (OSTI)

    Production of a film is by layer thinning, wherein a layer of the silica precursor solution is formed on a surface followed by removal of an amount of the silica precursor solution ...

  1. Flue gas injection control of silica in cooling towers. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Flue gas injection control of silica in cooling towers. Citation Details In-Document Search Title: Flue gas injection control of silica in cooling towers. You are accessing a ...

  2. Kinetics of silica-phase transitions

    SciTech Connect (OSTI)

    Duffy, C.J.

    1993-07-01

    In addition to the stable silica polymorph quartz, several metastable silica phases are present in Yucca Mountain. The conversion of these phases to quartz is accompanied by volume reduction and a decrease in the aqueous silica activity, which may destabilize clinoptilolite and mordenite. The primary reaction sequence for the silica phases is from opal or glass to disordered opal-CT, followed by ordering of the opal-CT and finally by the crystallization of quartz. The ordering of opal-CT takes place in the solid state, whereas the conversion of opal-CT takes place through dissolution-reprecipitation involving the aqueous phase. It is proposed that the rate of conversion of opal-CT to quartz is controlled by diffusion of defects out of a disordered surface layer formed on the crystallizing quartz. The reaction rates are observed to be dependent on temperature, pressure, degree of supersaturation, and pH. Rate equations selected from the literature appear to be consistent with observations at Yucca Mountain.

  3. Molecular sieving silica membrane fabrication process

    DOE Patents [OSTI]

    Raman, N.K.; Brinker, C.J.

    1999-08-10

    A process is described for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film. 11 figs.

  4. Molecular sieving silica membrane fabrication process

    DOE Patents [OSTI]

    Raman, Narayan K. (Monroeville, PA); Brinker, Charles Jeffrey (Albuquerque, NM)

    1999-01-01

    A process for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film.

  5. Molecular sieving silica membrane fabrication process

    DOE Patents [OSTI]

    Raman, Narayan K.; Brinker, Charles Jeffrey

    1998-01-01

    A process for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film.

  6. Significant Silica Solubility in Geothermal Steam

    SciTech Connect (OSTI)

    James, Russell

    1986-01-21

    Although it is widely believed that silica solubility in low pressure (5 to 10 bar) geothermal steam is negligible, when one takes into account steam flows exceeding 10 million tonnes a year--at Wairakei, for instance--it is found that the amount transmitted in the vapor has the potential to give significant deposits on turbine nozzles and blades. A 150 MWe power station, when based on flows from a hot water reservoir at (a) 250 C or (b) 315 C, and with separator pressures of 6 bar, is found to carry about 100 and 200 kg/year respectively in the steam phase. In the case of a similar sized station exploiting a dry steam reservoir such as The Geysers, equivalent silica flows are obtained, dissolved in steam and carried as dust--the latter as solid particles precipitating from the vapor en route from source to turbine, and not preexisting in the formations as is commonly considered. Choking or coating of subterranean rock near such dry steam wells due to exsolving silica, may be the principal cause of declining steam discharge under production. Silica from completely dry or superheated steam can also seal the cap and sides of steam reservoirs when expanding below the criticus temperature (236 C) in a way previously thought possible only by hot water or wet steam.

  7. Effect of composition on the density of multi-component molten nitrate salts.

    SciTech Connect (OSTI)

    Bradshaw, Robert W.

    2009-12-01

    The density of molten nitrate salts was measured to determine the effects of the constituents on the density of multi-component mixtures. The molten salts consisted of various proportions of the nitrates of potassium, sodium, lithium and calcium. Density measurements ere performed using an Archimedean method and the results were compared to data reported in the literature for the individual constituent salts or simple combinations, such as the binary Solar Salt mixture of NaNO3 and KNO3. The addition of calcium nitrate generally ncreased density, relative to potassium nitrate or sodium nitrate, while lithium nitrate decreased density. The temperature dependence of density is described by a linear equation regardless of composition. The molar volume, and thereby, density of multi-component mixtures an be calculated as a function of temperature using a linear additivity rule based on the properties of the individual constituents.

  8. Conversion of geothermal waste to commercial products including silica

    DOE Patents [OSTI]

    Premuzic, Eugene T.; Lin, Mow S.

    2003-01-01

    A process for the treatment of geothermal residue includes contacting the pigmented amorphous silica-containing component with a depigmenting reagent one or more times to depigment the silica and produce a mixture containing depigmented amorphous silica and depigmenting reagent containing pigment material; separating the depigmented amorphous silica and from the depigmenting reagent to yield depigmented amorphous silica. Before or after the depigmenting contacting, the geothermal residue or depigmented silica can be treated with a metal solubilizing agent to produce another mixture containing pigmented or unpigmented amorphous silica-containing component and a solubilized metal-containing component; separating these components from each other to produce an amorphous silica product substantially devoid of metals and at least partially devoid of pigment. The amorphous silica product can be neutralized and thereafter dried at a temperature from about 25.degree. C. to 300.degree. C. The morphology of the silica product can be varied through the process conditions including sequence contacting steps, pH of depigmenting reagent, neutralization and drying conditions to tailor the amorphous silica for commercial use in products including filler for paint, paper, rubber and polymers, and chromatographic material.

  9. Transport properties of multicomponent thermal plasmas: Grad method versus Chapman-Enskog method

    SciTech Connect (OSTI)

    Porytsky, P. [Institute for Nuclear Research, 03680 Kyiv (Ukraine); Krivtsun, I.; Demchenko, V. [Paton Welding Institute, 03680 Kyiv (Ukraine); Reisgen, U.; Mokrov, O.; Zabirov, A. [RWTH Aachen University, ISF-Welding and Joining Institute, 52062 Aachen (Germany); Gorchakov, S.; Timofeev, A.; Uhrlandt, D. [Leibniz Institute for Plasma Science and Technology (INP Greifswald), 17489 Greifswald (Germany)

    2013-02-15

    Transport properties (thermal conductivity, viscosity, and electrical conductivity) for multicomponent Ar-Fe thermal plasmas at atmospheric pressure have been determined by means of two different methods. The transport coefficients set based on Grad's method is compared with the data obtained when using the Chapman-Enskog's method. Results from both applied methods are in good agreement. It is shown that the Grad method is suitable for the determination of transport properties of the thermal plasmas.

  10. Impact of multi-component diffusion in turbulent combustion using direct numerical simulations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bruno, Claudio; Sankaran, Vaidyanathan; Kolla, Hemanth; Chen, Jacqueline H.

    2015-08-28

    This study presents the results of DNS of a partially premixed turbulent syngas/air flame at atmospheric pressure. The objective was to assess the importance and possible effects of molecular transport on flame behavior and structure. To this purpose DNS were performed at with two proprietary DNS codes and with three different molecular diffusion transport models: fully multi-component, mixture averaged, and imposing the Lewis number of all species to be unity.

  11. Silica substrate or portion formed from oxidation of monocrystalline silicon

    DOE Patents [OSTI]

    Matzke, Carolyn M.; Rieger, Dennis J.; Ellis, Robert V.

    2003-07-15

    A method is disclosed for forming an inclusion-free silica substrate using a monocrystalline silicon substrate as the starting material and oxidizing the silicon substrate to convert it entirely to silica. The oxidation process is performed from both major surfaces of the silicon substrate using a conventional high-pressure oxidation system. The resulting product is an amorphous silica substrate which is expected to have superior etching characteristics for microfabrication than conventional fused silica substrates. The present invention can also be used to convert only a portion of a monocrystalline silicon substrate to silica by masking the silicon substrate and locally thinning a portion the silicon substrate prior to converting the silicon portion entirely to silica. In this case, the silica formed by oxidizing the thinned portion of the silicon substrate can be used, for example, as a window to provide optical access through the silicon substrate.

  12. Mechanism reduction for multicomponent surrogates: A case study using toluene reference fuels

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Niemeyer, Kyle E.; Sung, Chih-Jen

    2014-11-01

    Strategies and recommendations for performing skeletal reductions of multicomponent surrogate fuels are presented, through the generation and validation of skeletal mechanisms for a three-component toluene reference fuel. Using the directed relation graph with error propagation and sensitivity analysis method followed by a further unimportant reaction elimination stage, skeletal mechanisms valid over comprehensive and high-temperature ranges of conditions were developed at varying levels of detail. These skeletal mechanisms were generated based on autoignition simulations, and validation using ignition delay predictions showed good agreement with the detailed mechanism in the target range of conditions. When validated using phenomena other than autoignition, suchmore » as perfectly stirred reactor and laminar flame propagation, tight error control or more restrictions on the reduction during the sensitivity analysis stage were needed to ensure good agreement. In addition, tight error limits were needed for close prediction of ignition delay when varying the mixture composition away from that used for the reduction. In homogeneous compression-ignition engine simulations, the skeletal mechanisms closely matched the point of ignition and accurately predicted species profiles for lean to stoichiometric conditions. Furthermore, the efficacy of generating a multicomponent skeletal mechanism was compared to combining skeletal mechanisms produced separately for neat fuel components; using the same error limits, the latter resulted in a larger skeletal mechanism size that also lacked important cross reactions between fuel components. Based on the present results, general guidelines for reducing detailed mechanisms for multicomponent fuels are discussed.« less

  13. Mechanism reduction for multicomponent surrogates: A case study using toluene reference fuels

    SciTech Connect (OSTI)

    Niemeyer, Kyle E.; Sung, Chih-Jen

    2014-11-01

    Strategies and recommendations for performing skeletal reductions of multicomponent surrogate fuels are presented, through the generation and validation of skeletal mechanisms for a three-component toluene reference fuel. Using the directed relation graph with error propagation and sensitivity analysis method followed by a further unimportant reaction elimination stage, skeletal mechanisms valid over comprehensive and high-temperature ranges of conditions were developed at varying levels of detail. These skeletal mechanisms were generated based on autoignition simulations, and validation using ignition delay predictions showed good agreement with the detailed mechanism in the target range of conditions. When validated using phenomena other than autoignition, such as perfectly stirred reactor and laminar flame propagation, tight error control or more restrictions on the reduction during the sensitivity analysis stage were needed to ensure good agreement. In addition, tight error limits were needed for close prediction of ignition delay when varying the mixture composition away from that used for the reduction. In homogeneous compression-ignition engine simulations, the skeletal mechanisms closely matched the point of ignition and accurately predicted species profiles for lean to stoichiometric conditions. Furthermore, the efficacy of generating a multicomponent skeletal mechanism was compared to combining skeletal mechanisms produced separately for neat fuel components; using the same error limits, the latter resulted in a larger skeletal mechanism size that also lacked important cross reactions between fuel components. Based on the present results, general guidelines for reducing detailed mechanisms for multicomponent fuels are discussed.

  14. A combustion model for IC engine combustion simulations with multi-component fuels

    SciTech Connect (OSTI)

    Ra, Youngchul; Reitz, Rolf D.

    2011-01-15

    Reduced chemical kinetic mechanisms for the oxidation of representative surrogate components of a typical multi-component automotive fuel have been developed and applied to model internal combustion engines. Starting from an existing reduced mechanism for primary reference fuel (PRF) oxidation, further improvement was made by including additional reactions and by optimizing reaction rate constants of selected reactions. Using a similar approach to that used to develop the reduced PRF mechanism, reduced mechanisms for the oxidation of n-tetradecane, toluene, cyclohexane, dimethyl ether (DME), ethanol, and methyl butanoate (MB) were built and combined with the PRF mechanism to form a multi-surrogate fuel chemistry (MultiChem) mechanism. The final version of the MultiChem mechanism consists of 113 species and 487 reactions. Validation of the present MultiChem mechanism was performed with ignition delay time measurements from shock tube tests and predictions by comprehensive mechanisms available in the literature. A combustion model was developed to simulate engine combustion with multi-component fuels using the present MultiChem mechanism, and the model was applied to simulate HCCI and DI engine combustion. The results show that the present multi-component combustion model gives reliable performance for combustion predictions, as well as computational efficiency improvements through the use of reduced mechanism for multi-dimensional CFD simulations. (author)

  15. Carbon nanomaterials in silica aerogel matrices

    SciTech Connect (OSTI)

    Hamilton, Christopher E [Los Alamos National Laboratory; Chavez, Manuel E [Los Alamos National Laboratory; Duque, Juan G [Los Alamos National Laboratory; Gupta, Gautam [Los Alamos National Laboratory; Doorn, Stephen K [Los Alamos National Laboratory; Dattelbaum, Andrew M [Los Alamos National Laboratory; Obrey, Kimberly A D [Los Alamos National Laboratory

    2010-01-01

    Silica aerogels are ultra low-density, high surface area materials that are extremely good thermal insulators and have numerous technical applications. However, their mechanical properties are not ideal, as they are brittle and prone to shattering. Conversely, single-walled carbon nanotubes (SWCNTs) and graphene-based materials, such as graphene oxide, have extremely high tensile strength and possess novel electronic properties. By introducing SWCNTs or graphene-based materials into aerogel matrices, it is possible to produce composites with the desirable properties of both constituents. We have successfully dispersed SWCNTs and graphene-based materials into silica gels. Subsequent supercritical drying results in monolithic low-density composites having improved mechanical properties. These nanocomposite aerogels have great potential for use in a wide range of applications.

  16. Light-scattering studies of silica aerogels

    SciTech Connect (OSTI)

    Hunt, A.J.

    1983-02-01

    Due to its combination of transparency and low thermal conductivity, aerogel holds considerable promise for use as insulating window materials for residential and commercial applications. This paper reports on the preliminary investigation of the optical and scattering properties of silica aerogels. It briefly describes the properties of aerogels important for window glazing applications. The optical properties are then described, followed by a discussion of the scattering measurements and their interpretation.

  17. Stabilization of Colloidal Silica Using Small Polyols

    SciTech Connect (OSTI)

    GULLEY, GERALD L.; MARTIN, JAMES E.

    1999-09-07

    We have discovered that small polyols are reasonably effective at stabilizing colloidal silica against aggregation, even under the conditions of high pH and salt concentration. Both quasielastic and elastic light scattering were used to show that these polyols dramatically decrease the aggregation rate of the suspension, changing the growth kinetics from diffusion-limited cluster-cluster aggregation to reaction-limited cluster-cluster aggregation. These polyols maybe useful in the treatment of tank wastes at the Hanford site.

  18. Silica powders for powder evacuated thermal insulating panel and method

    DOE Patents [OSTI]

    Harris, Michael T.; Basaran, Osman A.; Kollie, Thomas G.; Weaver, Fred J.

    1996-01-01

    A powder evacuated thermal insulating panel using generally spherical and porous silica particles of a median size less than about 100 nanometers in diameter, a pour packing density of about 0.4 to 0.6 g/cm.sup.3 and an external surface area in the range of about 90 to 600 m.sup.2/ g is described. The silica powders are prepared by reacting a tetraakyl silicate with ammonia and water in an alcohol solvent, distilling the solution after the reaction to remove the ammonia and recover the alcohol. The resulting aqueous slurry was dried, ball-milled, and dried again to provide the silica particles with defined internal and external porosity. The nanometer size and the large external surface area of the silica particles along with the internal and external porosity of the silica particles provide powder evacuated thermal insulating panels with significantly higher R-values than obtainable using previously known silica powders.

  19. Silica powders for powder evacuated thermal insulating panel and method

    DOE Patents [OSTI]

    Harris, Michael T.; Basaran, Osman A.; Kollie, Thomas G.; Weaver, Fred J.

    1994-01-01

    A powder evacuated thermal insulating panel using generally spherical and porous silica particles of a median size less than about 100 nanometers in diameter, a pour packing density of about 0.4 to 0.6 g/cm.sup.3 and an external surface area in the range of about 90 to 600 m.sup.2 /g is described. The silica powders are prepared by reacting a tetraakyl silicate with ammonia and water in an alcohol solvent, distilling the solution after the reaction to remove the ammonia and recover the alcohol. The resulting aqueous slurry was dried, ball-milled, and dried again to provide the silica particles with defined internal and external porosity. The nanometer size and the large external surface area of the silica particles along with the internal and external porosity of the silica particles provide powder evacuated thermal insulating panels with significantly higher R-values than obtainable using previously known silica powders.

  20. Silica powders for powder evacuated thermal insulating panel and method

    DOE Patents [OSTI]

    Harris, Michael T.; Basaran, Osman A.; Kollie, Thomas G.; Weaver, Fred J.

    1995-01-01

    A powder evacuated thermal insulating panel using generally spherical and porous silica particles of a median size less than about 100 nanometers in diameter, a pour packing density of about 0.4 to 0.6 g/cm.sup.3 and an external surface area in the range of about 90 to 600 m.sup.2/ g is described. The silica powders are prepared by reacting a tetraakyl silicate with ammonia and water in an alcohol solvent, distilling the solution after the reaction to remove the ammonia and recover the alcohol. The resulting aqueous slurry was dried, ball-milled, and dried again to provide the silica particles with defined internal and external porosity. The nanometer size and the large external surface area of the silica particles along with the internal and external porosity of the silica particles provide powder evacuated thermal insulating panels with significantly higher R-values than obtainable using previously known silica powders.

  1. Silica powders for powder evacuated thermal insulating panel and method

    DOE Patents [OSTI]

    Harris, M.T.; Basaran, O.A.; Kollie, T.G.; Weaver, F.J.

    1996-01-02

    A powder evacuated thermal insulating panel using generally spherical and porous silica particles of a median size less than about 100 nanometers in diameter, a pour packing density of about 0.4 to 0.6 g/cm{sup 3} and an external surface area in the range of about 90 to 600 m{sup 2}/g is described. The silica powders are prepared by reacting a tetraalkyl silicate with ammonia and water in an alcohol solvent, distilling the solution after the reaction to remove the ammonia and recover the alcohol. The resulting aqueous slurry was dried, ball-milled, and dried again to provide the silica particles with defined internal and external porosity. The nanometer size and the large external surface area of the silica particles along with the internal and external porosity of the silica particles provide powder evacuated thermal insulating panels with significantly higher R-values than obtainable using previously known silica powders. 2 figs.

  2. Methods of coping with silica deposition - the PNOC experience

    SciTech Connect (OSTI)

    Candelaria, M.N.R.; Garcia, S.E.; Baltazar, A.D.J. Jr.; Solis, R.P.

    1996-12-31

    Several methods of coping with silica deposition from geothermal waters have been undertaken by PNOC-EDC to maximize Power Output from these fluids. Initially, the problem of amorphous silica deposition in surface pipelines and the reinjection well was prevented by operating the production separators at pressures higher or equal to amorphous silica saturation. However, increasing demands for additional power and stringent environmental controls have dictated the need to find alternative methods of coping with silica deposition. Several options have been studied and tested to be able to optimize fluid utilization for production. These include: acid treatment polymerization and deposition of silica in surface ponds or sumps, and chemical inhibition. As each brine is unique, methodologies used for mitigation of the silica problem have been varied.

  3. Controlled Release from Core-Shell Nanoporous Silica Particles for

    Office of Scientific and Technical Information (OSTI)

    Corrosion Inhibition of Aluminum Alloys (Journal Article) | SciTech Connect Journal Article: Controlled Release from Core-Shell Nanoporous Silica Particles for Corrosion Inhibition of Aluminum Alloys Citation Details In-Document Search Title: Controlled Release from Core-Shell Nanoporous Silica Particles for Corrosion Inhibition of Aluminum Alloys Cerium (Ce) corrosion inhibitors were encapsulated into hexagonally ordered nanoporous silica particles via single-step aerosol-assisted

  4. Improvements in geothermal electric power and silica production

    DOE Patents [OSTI]

    Hill, J.H.; Fulk, M.M.

    Electricity is generated from hot geothermal solution by extracting heat therefrom, mineral solids which form in a so cooled geothermal solution are separated to recover minerals and facilitate reinjection of the solution into the ground. The separated solids are treated to recover silica by addition of an acid (amorphous silica precipitates) or a base (other minerals precipitate and soulble silicates are formed which are subsequently precipitated by acid neutralization). If desired, after silica is separated, other minerals can be separated and recovered.

  5. Treatment of Difficult Waters: Arsenic Removal Silica Control...

    Office of Scientific and Technical Information (OSTI)

    of Difficult Waters: Arsenic Removal Silica Control Carbon Capture and Enhanced Oil Recovery. Brady, Patrick Vane Abstract not provided. Sandia National Laboratories...

  6. Treatment of Difficult Waters: Arsenic Removal Silica Control...

    Office of Scientific and Technical Information (OSTI)

    of Difficult Waters: Arsenic Removal Silica Control Carbon Capture and Enhanced Oil Recovery. Citation Details In-Document Search Title: Treatment of Difficult Waters:...

  7. Operating Experience Level 3, Dangers of Respirable Silica |...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    (OE-3) document provides information on a safety concern related to recurring worker exposure to dust containing crystalline silica at Department of Energy (DOE) sites. OE-3...

  8. Probing the Silica/Polysiloxane Interface: A Solid State NMR...

    Office of Scientific and Technical Information (OSTI)

    of y-Irradiated Composite Materials Citation Details In-Document Search Title: Probing the SilicaPolysiloxane Interface: A Solid State NMR Investigation of y-Irradiated ...

  9. Controlled Release from Core-Shell Nanoporous Silica Particles...

    Office of Scientific and Technical Information (OSTI)

    Controlled Release from Core-Shell Nanoporous Silica Particles for Corrosion Inhibition of Aluminum Alloys Citation Details In-Document Search Title: Controlled Release from Core-S...

  10. Particle Restabilization in Silica/PEG/Ethanol Suspensions: How...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Particle Restabilization in SilicaPEGEthanol Suspensions: How Strongly do Polymers Need To Adsorb To Stabilize Against ...

  11. Coagulation chemistries for silica removal from cooling tower...

    Office of Scientific and Technical Information (OSTI)

    removal from cooling tower water. Citation Details In-Document Search Title: Coagulation chemistries for silica removal from cooling tower water. You are accessing a ...

  12. Chemical Geothermometers And Mixing Models For Geothermal Systems...

    Open Energy Info (EERE)

    to outline favorable places to explore for geothermal energy. Some of the qualitative methods, such as the delineation of mercury and helium anomalies in soil gases, do not...

  13. Cation Geothermometers At Lightning Dock Geothermal Area (Witcher...

    Open Energy Info (EERE)

    Usefulness useful DOE-funding Unknown Exploration Basis Part of the Geothermal Resource Evaluation and Definition (GRED) Program administered by DOE-AAO under Cooperative...

  14. A mixture model for shock compression of porous multi-component reactive materials

    SciTech Connect (OSTI)

    Baer, M.R.

    1993-07-01

    A multiphase mixture model is presented to describe shock compression of highly porous, multi-component powders. Volume fractions are represented as independent kinematic variables and thermodynamically-admissible phase interaction constitutive models are formulated in the context of a three phase system. Numerical solutions of the multiphase flow equations simulated impact on a porous layer of mixed powders of Al and Fe{sub 2}O{sub 3}. The multiphase model predicts dispersive compaction waves which have features similar to observed time-resolved pressure measurements.

  15. First and second order approximations to stage numbers in multicomponent enrichment cascades

    SciTech Connect (OSTI)

    Scopatz, A.

    2013-07-01

    This paper describes closed form, Taylor series approximations to the number product stages in a multicomponent enrichment cascade. Such closed form approximations are required when a symbolic, rather than a numeric, algorithm is used to compute the optimal cascade state. Both first and second order approximations were implemented. The first order solution was found to be grossly incorrect, having the wrong functional form over the entire domain. On the other hand, the second order solution shows excellent agreement with the 'true' solution over the domain of interest. An implementation of the symbolic, second order solver is available in the free and open source PyNE library. (authors)

  16. Arbitrary amplitude ion-acoustic waves in a multicomponent plasma with superthermal species

    SciTech Connect (OSTI)

    El-Tantawy, S. A.; Moslem, W. M.

    2011-11-15

    Properties of fully nonlinear ion-acoustic waves in a multicomponent plasma consisting of warm positive ions, superthermal electrons, as well as positrons, and dust impurities have been investigated. By using the hydrodynamic model for ions and superthermal electron/positron distribution, a Sagdeev potential has been derived. Existence conditions for large amplitude solitary and shock waves are presented. In order to show that the characteristics of the solitary and shock waves are influenced by the plasma parameters, the relevant numerical analysis of the Sagdeev potential is presented. The nonlinear structures, as predicted here, may be associated with the electrostatic perturbations in interstellar medium.

  17. Fibrous composites comprising carbon nanotubes and silica

    DOE Patents [OSTI]

    Peng, Huisheng; Zhu, Yuntian Theodore; Peterson, Dean E.; Jia, Quanxi

    2011-10-11

    Fibrous composite comprising a plurality of carbon nanotubes; and a silica-containing moiety having one of the structures: (SiO).sub.3Si--(CH.sub.2).sub.n--NR.sub.1R.sub.2) or (SiO).sub.3Si--(CH.sub.2).sub.n--NCO; where n is from 1 to 6, and R.sub.1 and R.sub.2 are each independently H, CH.sub.3, or C.sub.2H.sub.5.

  18. A Robust MEMS Based Multi-Component Sensor for 3D Borehole Seismic Arrays

    SciTech Connect (OSTI)

    Paulsson Geophysical Services

    2008-03-31

    The objective of this project was to develop, prototype and test a robust multi-component sensor that combines both Fiber Optic and MEMS technology for use in a borehole seismic array. The use such FOMEMS based sensors allows a dramatic increase in the number of sensors that can be deployed simultaneously in a borehole seismic array. Therefore, denser sampling of the seismic wave field can be afforded, which in turn allows us to efficiently and adequately sample P-wave as well as S-wave for high-resolution imaging purposes. Design, packaging and integration of the multi-component sensors and deployment system will target maximum operating temperature of 350-400 F and a maximum pressure of 15000-25000 psi, thus allowing operation under conditions encountered in deep gas reservoirs. This project aimed at using existing pieces of deployment technology as well as MEMS and fiber-optic technology. A sensor design and analysis study has been carried out and a laboratory prototype of an interrogator for a robust borehole seismic array system has been assembled and validated.

  19. Community Geothermal Technology Program: Silica bronze project. Final report

    SciTech Connect (OSTI)

    Bianchini, H.

    1989-10-01

    Objective was to incorporate waste silica from the HGP-A geothermal well in Pohoiki with other refractory materials for investment casting of bronze sculpture. The best composition for casting is about 50% silica, 25% red cinders, and 25% brick dust; remaining ingredient is a binder, such as plaster and water.

  20. Temperature measurements of shocked silica aerogel foam

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Falk, K.; McCoy, C. A.; Fryer, C. L.; Greeff, C. W.; Hungerford, A. L.; Montgomery, D. S.; Schmidt, D. W.; Sheppard, D. G.; Williams, J. R.; Boehly, T. R.; et al

    2014-09-12

    We present recent results of equation-of-state (EOS) measurements of shocked silica (SiO2) aerogel foam at the OMEGA laser facility. Silica aerogel is an important low-density pressure standard used in many high energy density experiments, including the novel technique of shock and release. Due to its many applications, it has been a heavily studied material and has a well-known Hugoniot curve. This work then complements the velocity and pressure measurements with additional temperature data providing the full EOS information within the warm dense matter regime for the temperature interval of 1–15 eV and shock velocities between 10 and 40 km/s correspondingmore » to shock pressures of 0.3–2 Mbar. The experimental results were compared with hydrodynamic simulations and EOS models. We found that the measured temperature was systematically lower than suggested by theoretical calculations. As a result, simulations provide a possible explanation that the emission measured by optical pyrometry comes from a radiative precursor rather than from the shock front, which could have important implications for such measurements.« less

  1. Final report on LDRD project: A phenomenological model for multicomponent transport with simultaneous electrochemical reactions in concentrated solutions

    SciTech Connect (OSTI)

    CHEN,KEN S.; EVANS,GREGORY H.; LARSON,RICHARD S.; NOBLE,DAVID R.; HOUF,WILLIAM G.

    2000-01-01

    A phenomenological model was developed for multicomponent transport of charged species with simultaneous electrochemical reactions in concentrated solutions, and was applied to model processes in a thermal battery cell. A new general framework was formulated and implemented in GOMA (a multidimensional, multiphysics, finite-element computer code developed and being enhanced at Sandia) for modeling multidimensional, multicomponent transport of neutral and charged species in concentrated solutions. The new framework utilizes the Stefan-Maxwell equations that describe multicomponent diffusion of interacting species using composition-insensitive binary diffusion coefficients. The new GOMA capability for modeling multicomponent transport of neutral species was verified and validated using the model problem of ternary gaseous diffusion in a Stefan tube. The new GOMA-based thermal battery computer model was verified using an idealized battery cell in which concentration gradients are absent; the full model was verified by comparing with that of Bernardi and Newman (1987) and validated using limited thermal battery discharge-performance data from the open literature (Dunning 1981) and from Sandia (Guidotti 1996). Moreover, a new Liquid Chemkin Software Package was developed, which allows the user to handle manly aspects of liquid-phase kinetics, thermodynamics, and transport (particularly in terms of computing properties). Lastly, a Lattice-Boltzmann-based capability was developed for modeling pore- or micro-scale phenomena involving convection, diffusion, and simplified chemistry; this capability was demonstrated by modeling phenomena in the cathode region of a thermal battery cell.

  2. Ambient-pressure silica aerogel films

    SciTech Connect (OSTI)

    Prakash, S.S. [New Mexico Univ., Albuquerque, NM (United States); Brinker, C.J. [New Mexico Univ., Albuquerque, NM (United States)]|[Sandia National Labs., Albuquerque, NM (United States); Hurd, A.J. [Sandia National Labs., Albuquerque, NM (United States)

    1994-12-31

    Very highly porous (aerogel) silica films with refractive index in the range 1.006--1.05 (equivalent porosity 98.5--88%) were prepared by an ambient-pressure process. It was shown earlier using in situ ellipsometric imaging that the high porosity of these films was mainly attributable to the dilation or `springback` of the film during the final stage of drying. This finding was irrefutably reconfirmed by visually observing a `springback` of >500% using environmental scanning electron microscopy (ESEM). Ellipsometry and ESEM also established the near cent per cent reversibility of aerogel film deformation during solvent intake and drying. Film thickness profile measurements (near the drying line) for the aerogel, xerogel and pure solvent cases are presented from imaging ellipsometry. The thickness of these films (crack-free) were controlled in the range 0.1-3.5 {mu}m independent of refractive index.

  3. Laser Damage Precursors in Fused Silica

    SciTech Connect (OSTI)

    Miller, P; Suratwala, T; Bude, J; Laurence, T A; Shen, N; Steele, W A; Feit, M; Menapace, J; Wong, L

    2009-11-11

    There is a longstanding, and largely unexplained, correlation between the laser damage susceptibility of optical components and both the surface quality of the optics, and the presence of near surface fractures in an optic. In the present work, a combination of acid leaching, acid etching, and confocal time resolved photoluminescence (CTP) microscopy has been used to study laser damage initiation at indentation sites. The combination of localized polishing and variations in indentation loads allows one to isolate and characterize the laser damage susceptibility of densified, plastically flowed and fractured fused silica. The present results suggest that: (1) laser damage initiation and growth are strongly correlated with fracture surfaces, while densified and plastically flowed material is relatively benign, and (2) fracture events result in the formation of an electronically defective rich surface layer which promotes energy transfer from the optical beam to the glass matrix.

  4. Grafting Sulfated Zirconia on Mesoporous Silica

    SciTech Connect (OSTI)

    Wang, Yong; Lee, Kwan Young; Choi, Saemin; Liu, Jun; Wang, Li Q.; Peden, Charles HF

    2007-06-01

    Sulfated zirconia has received considerable attention as a potential solid acid catalyst in recent years. In this paper, the preparation and properties of acid catalysts obtained by grafting ziconia with atomic precision on MCM-41 mesoporous silica were studied. TEM and potential titration characterizations revealed that ZrO2/MCM-41 with monolayer coverage can be obtained using this grafting technique. Sulfated ZrO2/MCM-41 exhibits improved thermal stability than that of bulk sulfated zirconia, as evidenced by temperature programmed characterizations and XRD analysis. Temperature programmed reaction of isopropanol was used to evaluate the acidity of sulfated ZrO2/MCM-41. It was found that the acid strength of sulfated ZrO2/MCM-41 with monolayer coverage is weaker than bulk sulfated zirconia but stronger than SiO2-Al2O3, a common strong acid catalyst.

  5. Chromium Phase Behavior in a Multi-Component Borosilicate Glass Melt

    SciTech Connect (OSTI)

    Hrma, Pavel R.; Vienna, John D.; Wilson, B. K.; Plaisted, Trevor J.; Heald, Steve M.

    2006-07-31

    This paper reports the phase behavior of a multicomponent borosilicate glass melt with 0?3 mass% Cr2O3 at 800?1500C in equilibrium with air. Both upper and lower liquidus temperatures were observed. When the temperature was between the upper and lower liquidus temperatures, eskolaite (Cr2O3) formed in melts with >2 mass% Cr2O3. Below the lower liquidus temperature, a dispersed chromate phase appeared in the melt that eventually became macroscopically segregated. The chemical durability of the glasses was virtually unaffected by chromium concentration. The particular glass studied was prototypic for the vitrification of high-Cr high-level radioactive wastes stored in underground tanks at the Hanford site. The results suggest a significant potential cost benefit for Hanford tank waste cleanup.

  6. Mass separation of a multicomponent plasma flow in a curvilinear magnetic field

    SciTech Connect (OSTI)

    Papernyi, V. L.; Krasov, V. I.

    2011-11-15

    The motion of a metal plasma flow of a vacuum-arc discharge in a transportation plasma-optical system with a curvilinear magnetic field is studied experimentally and numerically. The flow position at the output of the system is shown to depend on the cathode material, which determines the mass-to-charge ratio of plasma ions. As a result, the flow with a greater ion mass-to-charge ratio moves along a trajectory with a larger radius. A similar effect is observed in the case of a multicomponent plasma flow generated by a composite cathode. The results of two-fluid MHD simulations of a plasma flow propagating in a curvilinear magnetic field agree qualitatively with the experimental data.

  7. Global optimization of multicomponent distillation configurations: 2. Enumeration based global minimization algorithm

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nallasivam, Ulaganathan; Shah, Vishesh H.; Shenvi, Anirudh A.; Huff, Joshua; Tawarmalani, Mohit; Agrawal, Rakesh

    2016-02-10

    We present a general Global Minimization Algorithm (GMA) to identify basic or thermally coupled distillation configurations that require the least vapor duty under minimum reflux conditions for separating any ideal or near-ideal multicomponent mixture into a desired number of product streams. In this algorithm, global optimality is guaranteed by modeling the system using Underwood equations and reformulating the resulting constraints to bilinear inequalities. The speed of convergence to the globally optimal solution is increased by using appropriate feasibility and optimality based variable-range reduction techniques and by developing valid inequalities. As a result, the GMA can be coupled with already developedmore » techniques that enumerate basic and thermally coupled distillation configurations, to provide for the first time, a global optimization based rank-list of distillation configurations.« less

  8. Intrinsic fluctuations of dust grain charge in multi-component plasmas

    SciTech Connect (OSTI)

    Shotorban, B.

    2014-03-15

    A master equation is formulated to model the states of the grain charge in a general multi-component plasma, where there are electrons and various kinds of positive or negative ions that are singly or multiply charged. A Fokker-Planck equation is developed from the master equation through the system-size expansion method. The Fokker-Planck equation has a Gaussian solution with a mean and variance governed by two initial-value differential equations involving the rates of the attachment of ions and electrons to the dust grain. Also, a Langevin equation and a discrete stochastic method are developed to model the time variation of the grain charge. Grain charging in a plasma containing electrons, protons, and alpha particles with Maxwellian distributions is considered as an example problem. The Gaussian solution is in very good agreement with the master equation solution numerically obtained for this problem.

  9. Development of Filler Structure in Colloidal Silica-Polymer Nanocomposites

    SciTech Connect (OSTI)

    Meth, Jeffrey S; Zane, Stephen G; Chi, Changzai; Londono, J David; Wood, Barbara A; Cotts, Patricia; Keating, Mimi; Guise, William; Weigand, Steven

    2012-02-07

    The realization of the full potential for polymeric nanocomposites to manifest their entitled property improvements relies, for some properties, on the ability to achieve maximum particle-matrix interfacial area. Well-dispersed nanocomposites incorporating colloidal silica as the filler can be realized in both polystyrene and poly(methyl methacrylate) matrices by exploiting the charge stabilized nature of silica in nonaqueous solvents which act as Bronsted bases. We demonstrate that dispersions of colloidal silica in dimethylformamide are charge stabilized, regardless of organosilyl surface functionalization. When formulated with polymer solutions, the charge stabilized structure is maintained during drying until the charged double layer collapses. Although particles are free to diffuse and cluster after this neutralization, increased matrix viscosity retards the kinetics. We demonstrate how high molecular weight polymers assist in immobilizing the structure of the silica to produce well-dispersed composites. The glass transition temperatures of these composites do not vary, even at loadings up to 50 vol %.

  10. Probing warm-dense Silica with LCLS and betatron radiation

    SciTech Connect (OSTI)

    Kotick, Jordan

    2015-08-27

    In this paper, a study of Silica is presented using a novel X-ray probe. The value of this X-ray source will be clearly defined, and diagnostic results will be presented.

  11. A novel synthesis of micrometer silica hollow sphere

    SciTech Connect (OSTI)

    Pan Wen; Ye Junwei [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Zhongshan Road 158-43, Dalian 116012 (China); Ning Guiling [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Zhongshan Road 158-43, Dalian 116012 (China)], E-mail: ninggl@dlut.edu.cn; Lin Yuan; Wang Jing [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Zhongshan Road 158-43, Dalian 116012 (China)

    2009-02-04

    Silica microcapsules (hollow spheres) were synthesized successfully by a novel CTAB-stabilized water/oil emulsion system mediated hydrothermal method. The addition of urea to a solution of aqueous phase was an essential step of the simple synthetic procedure of silica hollow spheres, which leads to the formation of silica hollow spheres with smooth shell during hydrothermal process. The intact hollow spheres were obtained by washing the as-synthesized solid products with distilled water to remove the organic components. A large amount of silanol groups were retained in the hollow spheres by this facile route without calcination. The morphologies and optical properties of the product were characterized by transmission electron microscopy, scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy. Furthermore, on the basis of a series of SEM observations, phenomenological elucidation of a mechanism for the growth of the silica hollow spheres has been presented.

  12. Operating Experience Level 3, Dangers of Respirable Silica

    Broader source: Energy.gov [DOE]

    This Operating Experience Level 3 (OE-3) document provides information on a safety concern related to recurring worker exposure to dust containing crystalline silica at Department of Energy (DOE) sites.

  13. Method of synthesizing silica nanofibers using sound waves

    DOE Patents [OSTI]

    Sharma, Jaswinder K.; Datskos, Panos G.

    2015-09-15

    A method for synthesizing silica nanofibers using sound waves is provided. The method includes providing a solution of polyvinyl pyrrolidone, adding sodium citrate and ammonium hydroxide to form a first mixture, adding a silica-based compound to the solution to form a second mixture, and sonicating the second mixture to synthesize a plurality of silica nanofibers having an average cross-sectional diameter of less than 70 nm and having a length on the order of at least several hundred microns. The method can be performed without heating or electrospinning, and instead includes less energy intensive strategies that can be scaled up to an industrial scale. The resulting nanofibers can achieve a decreased mean diameter over conventional fibers. The decreased diameter generally increases the tensile strength of the silica nanofibers, as defects and contaminations decrease with the decreasing diameter.

  14. Confinement of Metal-Organic Polyhedra in Silica Nanopores |...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Confinement of Metal-Organic Polyhedra in Silica Nanopores Previous Next List Lin-Bing Sun, Jian-Rong Li, Weigang Lu, Zhi-Yuan Gu, Zhiping Luo, and Hong-Cai Zhou, J. Am. Chem....

  15. Fluorescent single walled nanotube/silica composite materials (Patent) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Fluorescent single walled nanotube/silica composite materials Citation Details In-Document Search Title: Fluorescent single walled nanotube/silica composite materials Fluorescent composites of surfactant-wrapped single-walled carbon nanotubes (SWNTs) were prepared by exposing suspensions of surfactant-wrapped carbon nanotubes to tetramethylorthosilicate (TMOS) vapor. Sodium deoxycholate (DOC) and sodium dodecylsulphate (SDS) were the surfactants. No loss in emission intensity

  16. NEAR-IR TWO PHOTON MICROSCOPY IMAGING OF SILICA NANOPARTICLES

    Office of Scientific and Technical Information (OSTI)

    FUNCTIONALIZED WITH ISOLATED SENSITIZED Yb(III) CENTERS (Journal Article) | SciTech Connect NEAR-IR TWO PHOTON MICROSCOPY IMAGING OF SILICA NANOPARTICLES FUNCTIONALIZED WITH ISOLATED SENSITIZED Yb(III) CENTERS Citation Details In-Document Search Title: NEAR-IR TWO PHOTON MICROSCOPY IMAGING OF SILICA NANOPARTICLES FUNCTIONALIZED WITH ISOLATED SENSITIZED Yb(III) CENTERS Bright nano objects emitting in the near infrared with a maximal cross section of 41.4 x 103 GM (Goppert Mayer), were

  17. Silica diagenesis in Monterey Formation: controls and application

    SciTech Connect (OSTI)

    Kablanow, R.I. II

    1987-05-01

    The factors controlling diagenesis of biogenic silica (opal-A to opal-CT to quartz) in the Monterey Formation of California has been an ongoing subject of study. The accepted concept proposes that a high detrital content inhibits the opal-A to opal-CT reaction, whereas it accelerates the opal-CT to quartz reaction. Others have suggested that clay minerals directly influence the rate of silica transformation by the adsorption of silica from solution. It is proposed that the primary control on silica diagenesis is the thermal regime of the basin. Important variables which influence the temperature development include time, sediment accumulation rate, burial depth, porosity, thermal conductivity, temperature of silica phase change, and heat flow. The Miocene Monterey Formation had fairly rapid sedimentation rates which produced a thick section of fine-grained sediments (up to 13,000 ft, 4 km, in the Salinas basin). As these sediments underwent progressive burial, both compaction and silica transformation reduced porosity, resulting in an increase in thermal conductivity. To simulate the thermal, depositional, and diagenetic events, detailed thermal models were used. These models clearly reflect the difference in the geologic history observed between the Huasna, Pismo, and Salinas basins. The thermal models used in this study strongly confirm that silica diagenesis is primarily dependent on the temperature structure of a basin and that any catalytic influence which detrital minerals may have on silica diagenesis is a second-order effect and does not alter the regional reaction boundaries. These models can also be used as powerful tools in hydrocarbon exploration by providing a clearer picture of the thermal development of the basin.

  18. Mesoporous-silica films, fibers, and powders by evaporation

    DOE Patents [OSTI]

    Bruinsma, P.J.; Baskaran, S.; Bontha, J.R.; Liu, J.

    1999-07-13

    This invention pertains to surfactant-templated nanometer-scale porosity of a silica precursor solution and forming a mesoporous material by first forming the silica precursor solution into a preform having a high surface area to volume ratio, then rapid drying or evaporating a solvent from the silica precursor solution. The mesoporous material may be in any geometric form, but is preferably in the form of a film, fiber, powder or combinations thereof. The rapid drying or evaporation of solvent from the solution is accomplished by layer thinning, for example spin casting, liquid drawing, and liquid spraying respectively. Production of a film is by layer thinning, wherein a layer of the silica precursor solution is formed on a surface followed by removal of an amount of the silica precursor solution and leaving a geometrically thinner layer of the silica precursor solution from which the solvent quickly escapes via evaporation. Layer thinning may be by any method including but not limited to squeegeeing and/or spin casting. In powder formation by spray drying, the same conditions of fast drying exists as in spin-casting (as well as in fiber spinning) because of the high surface-area to volume ratio of the product. When a powder is produced by liquid spraying, the particles or micro-bubbles within the powder are hollow spheres with walls composed of mesoporous silica. Mesoporous fiber formation starts with a similar silica precursor solution but with an added pre-polymer making a pituitous mixture that is drawn into a thin strand from which solvent is evaporated leaving the mesoporous fiber(s). 24 figs.

  19. Mesoporous-silica films, fibers, and powders by evaporation

    DOE Patents [OSTI]

    Bruinsma, Paul J.; Baskaran, Suresh; Bontha, Jagannadha R.; Liu, Jun

    2008-05-06

    This invention pertains to surfactant-templated nanometer-scale porosity of a silica precursor solution and forming a mesoporous material by first forming the silica precursor solution into a preform having a high surface area to volume ratio, then rapid drying or evaporating a solvent from the silica precursor solution. The mesoporous material may be in any geometric form, but is preferably in the form of a film, fiber, powder or combinations thereof. The rapid drying or evaporation of solvent from the solution is accomplished by layer thinning, for example spin casting, liquid drawing, and liquid spraying respectively. Production of a film is by layer thinning, wherein a layer of the silica precursor solution is formed on a surface followed by removal of an amount of the silica precursor solution and leaving a geometrically thinner layer of the silica precursor solution from which the solvent quickly escapes via evaporation. Layer thinning may be by any method including but not limited to squeegeeing and/or spin casting. In powder formation by spray drying, the same conditions of fast drying exists as in spin-casting (as well as in fiber spinning) because of the high surface-area to volume ratio of the product. When a powder is produced by liquid spraying, the particles or micro-bubbles within the powder are hollow spheres with walls composed of mesoporous silica. Mesoporous fiber formation starts with a similar silica precursor solution but with an added pre-polymer making a pituitous mixture that is drawn into a thin strand from which solvent is evaporated leaving the mesoporous fiber(s).

  20. Mesoporous-silica films, fibers, and powders by evaporation

    DOE Patents [OSTI]

    Bruinsma, Paul J.; Baskaran, Suresh; Bontha, Jagannadha R.; Liu, Jun

    1999-01-01

    This invention pertains to surfactant-templated nanometer-scale porosity of a silica precursor solution and forming a mesoporous material by first forming the silica precursor solution into a preform having a high surface area to volume ratio, then rapid drying or evaporating a solvent from the silica precursor solution. The mesoporous material may be in any geometric form, but is preferably in the form of a film, fiber, powder or combinations thereof. The rapid drying or evaporation of solvent from the solution is accomplished by layer thinning, for example spin casting, liquid drawing, and liquid spraying respectively. Production of a film is by layer thinning, wherein a layer of the silica precursor solution is formed on a surface followed by removal of an amount of the silica precursor solution and leaving a geometrically thinner layer of the silica precursor solution from which the solvent quickly escapes via evaporation. Layer thinning may be by any method including but not limited to squeegeeing and/or spin casting. In powder formation by spray drying, the same conditions of fast drying exists as in spin-casting (as well as in fiber spinning) because of the high surface-area to volume ratio of the product. When a powder is produced by liquid spraying, the particles or micro-bubbles within the powder are hollow spheres with walls composed of mesoporous silica. Mesoporous fiber formation starts with a similar silica precursor solution but with an added pre-polymer making a pituitous mixture that is drawn into a thin strand from which solvent is evaporated leaving the mesoporous fiber(s).

  1. Addressable morphology control of silica structures by manipulating the

    Office of Scientific and Technical Information (OSTI)

    reagent addition time (Journal Article) | SciTech Connect Addressable morphology control of silica structures by manipulating the reagent addition time Citation Details In-Document Search Title: Addressable morphology control of silica structures by manipulating the reagent addition time Authors: Sharma, Jaswinder K [1] ; Datskos, Panos G [1] ; Chen, Jihua [1] + Show Author Affiliations ORNL [ORNL Publication Date: 2014-01-01 OSTI Identifier: 1110986 DOE Contract Number: DE-AC05-00OR22725

  2. Characterizing Radiation-Aged Polysiloxane-Silica Composites: Identifying

    Office of Scientific and Technical Information (OSTI)

    Changes in Network Topology via 1H NMR (Journal Article) | SciTech Connect Journal Article: Characterizing Radiation-Aged Polysiloxane-Silica Composites: Identifying Changes in Network Topology via 1H NMR Citation Details In-Document Search Title: Characterizing Radiation-Aged Polysiloxane-Silica Composites: Identifying Changes in Network Topology via 1H NMR Characterizing and quantifying changes in elastomeric materials upon exposure to harsh environments is important in the estimation of

  3. Coating thickness and coverage effects on the forces between silica

    Office of Scientific and Technical Information (OSTI)

    nanoparticles in water. (Journal Article) | SciTech Connect Coating thickness and coverage effects on the forces between silica nanoparticles in water. Citation Details In-Document Search Title: Coating thickness and coverage effects on the forces between silica nanoparticles in water. Abstract not provided. Authors: Salerno, Kenneth Michael ; Lane, J. Matthew ; Grest, Gary S. ; Ismail, Ahmed E. Publication Date: 2014-01-01 OSTI Identifier: 1140719 Report Number(s): SAND2014-0781J Journal

  4. Energy Landscape of Water and Ethanol on Silica Surfaces

    SciTech Connect (OSTI)

    Wu, Di; Guo, Xiaofeng; Sun, Hui; Navrotsky, Alexandra

    2015-06-26

    Fundamental understanding of small molecule–silica surface interactions at their interfaces is essential for the scientific, technological, and medical communities. We report direct enthalpy of adsorption (Δhads) measurements for ethanol and water vapor on porous silica glass (CPG-10), in both hydroxylated and dehydroxylated (hydrophobic) forms. Results suggest a spectrum of energetics as a function of coverage, stepwise for ethanol but continuous for water. The zero-coverage enthalpy of adsorption for hydroxylated silica shows the most exothermic enthalpies for both water (-72.7 ± 3.1 kJ/mol water) and ethanol (-78.0 ± 1.9 kJ/mol ethanol). The water adsorption enthalpy becomes less exothermic gradually until reaching its only plateau (-20.7 ± 2.2 kJ/mol water) reflecting water clustering on a largely hydrophobic surface, while the enthalpy of ethanol adsorption profile presents two well separated plateaus, corresponding to strong chemisorption of ethanol on adsorbate-free silica surface (-66.4 ± 4.8 kJ/mol ethanol), and weak physisorption of ethanol on ethanol covered silica (-4.0 ± 1.6 kJ/mol ethanol). On the other hand, dehydroxylation leads to missing water–silica interactions, whereas the number of ethanol binding sites is not impacted. The isotherms and partial molar properties of adsorption suggest that water may only bind strongly onto the silanols (which are a minor species on silica glass), whereas ethanol can interact strongly with both silanols and the hydrophobic areas of the silica surface.

  5. Energy Landscape of Water and Ethanol on Silica Surfaces

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wu, Di; Guo, Xiaofeng; Sun, Hui; Navrotsky, Alexandra

    2015-06-26

    Fundamental understanding of small molecule–silica surface interactions at their interfaces is essential for the scientific, technological, and medical communities. We report direct enthalpy of adsorption (Δhads) measurements for ethanol and water vapor on porous silica glass (CPG-10), in both hydroxylated and dehydroxylated (hydrophobic) forms. Results suggest a spectrum of energetics as a function of coverage, stepwise for ethanol but continuous for water. The zero-coverage enthalpy of adsorption for hydroxylated silica shows the most exothermic enthalpies for both water (-72.7 ± 3.1 kJ/mol water) and ethanol (-78.0 ± 1.9 kJ/mol ethanol). The water adsorption enthalpy becomes less exothermic gradually until reachingmore » its only plateau (-20.7 ± 2.2 kJ/mol water) reflecting water clustering on a largely hydrophobic surface, while the enthalpy of ethanol adsorption profile presents two well separated plateaus, corresponding to strong chemisorption of ethanol on adsorbate-free silica surface (-66.4 ± 4.8 kJ/mol ethanol), and weak physisorption of ethanol on ethanol covered silica (-4.0 ± 1.6 kJ/mol ethanol). On the other hand, dehydroxylation leads to missing water–silica interactions, whereas the number of ethanol binding sites is not impacted. The isotherms and partial molar properties of adsorption suggest that water may only bind strongly onto the silanols (which are a minor species on silica glass), whereas ethanol can interact strongly with both silanols and the hydrophobic areas of the silica surface.« less

  6. Synthesis of segmented silica rods by growth temperature regulation

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect segmented silica rods by growth temperature regulation Citation Details In-Document Search Title: Synthesis of segmented silica rods by growth temperature regulation Authors: Sharma, Jaswinder K [1] ; Datskos, Panos G [1] + Show Author Affiliations ORNL Publication Date: 2014-01-01 OSTI Identifier: 1115377 DOE Contract Number: DE-AC05-00OR22725 Resource Type: Journal Article Resource Relation: Journal Name: Angewandte Chemie International Edition; Journal

  7. Synthesis of very small diameter silica nanofibers using sound waves

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect very small diameter silica nanofibers using sound waves Citation Details In-Document Search Title: Synthesis of very small diameter silica nanofibers using sound waves Authors: Sharma, Jaswinder K [1] ; Datskos, Panos G [1] ; Chen, Jihua [1] + Show Author Affiliations ORNL [ORNL Publication Date: 2014-01-01 OSTI Identifier: 1134181 DOE Contract Number: DE-AC05-00OR22725 Resource Type: Journal Article Resource Relation: Journal Name: Chemical

  8. Multifilamentation of powerful optical pulses in silica

    SciTech Connect (OSTI)

    Berge, L.; Mauger, S.; Skupin, S.

    2010-01-15

    The multiple filamentation of powerful light pulses in fused silica is numerically investigated for central wavelengths at 355 nm and 1550 nm. We consider different values for beam waist and pulse duration and compare the numerical results with behaviors expected from the plane-wave modulational instability theory. Before the nonlinear focus, the spatiotemporal intensity patterns can be explained in the framework of this theory. Once the clamping intensity is reached, for long input pulse durations (approx1 ps), the ionization front defocuses all trailing components within a collective dynamic, and a spatial replenishment scenario takes place upon further propagation. Short pulses (approx50 fs) undergo similar ionization fronts, before an optically turbulent regime sets in. We observe moderate changes in the total temporal extent of ultraviolet pulses and in the corresponding spectra. In contrast, infrared pulses may undergo strong temporal compression and important spectral broadening. For short input pulses, anomalous dispersion and self-steepening push all pulse components to the trailing edge, where many small-scaled filaments are nucleated. In the leading part of the pulse, different spatial landscapes, e.g., broad ring patterns, may survive and follow their own propagation dynamics.

  9. Multi-component testing using HZ-PAN and AgZ-PAN Sorbents for OSPREY Model validation

    SciTech Connect (OSTI)

    Garn, Troy G.; Greenhalgh, Mitchell; Lyon, Kevin L.; Law, Jack D.

    2015-04-01

    In efforts to further develop the capability of the Off-gas SeParation and RecoverY (OSPREY) model, multi-component tests were completed using both HZ-PAN and AgZ-PAN sorbents. The primary purpose of this effort was to obtain multi-component xenon and krypton capacities for comparison to future OSPREY predicted multi-component capacities using previously acquired Langmuir equilibrium parameters determined from single component isotherms. Experimental capacities were determined for each sorbent using two feed gas compositions of 1000 ppmv xenon and 150 ppmv krypton in either a helium or air balance. Test temperatures were consistently held at 220 K and the gas flowrate was 50 sccm. Capacities were calculated from breakthrough curves using TableCurve 2D software by Jandel Scientific. The HZ-PAN sorbent was tested in the custom designed cryostat while the AgZ-PAN was tested in a newly installed cooling apparatus. Previous modeling validation efforts indicated the OSPREY model can be used to effectively predict single component xenon and krypton capacities for both engineered form sorbents. Results indicated good agreement with the experimental and predicted capacity values for both krypton and xenon on the sorbents. Overall, the model predicted slightly elevated capacities for both gases which can be partially attributed to the estimation of the parameters and the uncertainty associated with the experimental measurements. Currently, OSPREY is configured such that one species adsorbs and one does not (i.e. krypton in helium). Modification of OSPREY code is currently being performed to incorporate multiple adsorbing species and non-ideal interactions of gas phase species with the sorbent and adsorbed phases. Once these modifications are complete, the sorbent capacities determined in the present work will be used to validate OSPREY multicomponent adsorption predictions.

  10. Silica recovery and control in Hawaiian geothermal fluids. Final report

    SciTech Connect (OSTI)

    Thomas, D.M.

    1992-06-01

    A series of experiments was performed to investigate methods of controlling silica in waste geothermal brines produced at the HGP-A Generator Facility. Laboratory testing has shown that the rate of polymerization of silica in the geothermal fluids is highly pH dependent. At brine pH values in excess of 8.5 the suspension of silica polymers flocculated and rapidly precipitated a gelatinous silica mass. Optimum flocculation and precipitation rates were achieved at pH values in the range of 10.5 to 11.5. The addition of transition metal salts to the geothermal fluids similarly increased the rate of polymerization as well as the degree of precipitation of the silica polymer from suspension. A series of experiments performed on the recovered silica solids demonstrated that methanol extraction of the water in the gels followed by critical point drying yielded surface areas in excess of 300 M{sup 2}/g and that treatment of the dried solids with 2 N HCl removed most of the adsorbed impurities in the recovered product. A series of experiments tested the response of the waste brines to mixing with steam condensate and non-condensable gases.The results demonstrated that the addition of condensate and NCG greatly increased the stability of the silica in the geothermal brines. They also indicated that the process could reduce the potential for plugging of reinjection wells receiving waste geothermal fluids from commercial geothermal facilities in Hawaii. Conceptual designs were proposed to apply the gas re-combination approach to the disposal of geothermal waste fluids having a range of chemical compositions. Finally, these designs were applied to the geothermal fluid compositions found at Cerro Prieto, Ahuachapan, and Salton Sea.

  11. Silica recovery and control in Hawaiian geothermal fluids

    SciTech Connect (OSTI)

    Thomas, D.M.

    1992-06-01

    A series of experiments was performed to investigate methods of controlling silica in waste geothermal brines produced at the HGP-A Generator Facility. Laboratory testing has shown that the rate of polymerization of silica in the geothermal fluids is highly pH dependent. At brine pH values in excess of 8.5 the suspension of silica polymers flocculated and rapidly precipitated a gelatinous silica mass. Optimum flocculation and precipitation rates were achieved at pH values in the range of 10.5 to 11.5. The addition of transition metal salts to the geothermal fluids similarly increased the rate of polymerization as well as the degree of precipitation of the silica polymer from suspension. A series of experiments performed on the recovered silica solids demonstrated that methanol extraction of the water in the gels followed by critical point drying yielded surface areas in excess of 300 M{sup 2}/g and that treatment of the dried solids with 2 N HCl removed most of the adsorbed impurities in the recovered product. A series of experiments tested the response of the waste brines to mixing with steam condensate and non-condensable gases.The results demonstrated that the addition of condensate and NCG greatly increased the stability of the silica in the geothermal brines. They also indicated that the process could reduce the potential for plugging of reinjection wells receiving waste geothermal fluids from commercial geothermal facilities in Hawaii. Conceptual designs were proposed to apply the gas re-combination approach to the disposal of geothermal waste fluids having a range of chemical compositions. Finally, these designs were applied to the geothermal fluid compositions found at Cerro Prieto, Ahuachapan, and Salton Sea.

  12. Functionalized mesoporous silica nanoparticles for oral delivery of budesonide

    SciTech Connect (OSTI)

    Yoncheva, K.; Popova, M.; Szegedi, A.; Mihaly, J.; Tzankov, B.; Lambov, N.; Konstantinov, S.; Tzankova, V.; Pessina, F.; Valoti, M.

    2014-03-15

    Non-functionalized and amino-functionalized mesoporous silica nanoparticle were loaded with anti-inflammatory drug budesonide and additionally post-coated with bioadhesive polymer (carbopol). TEM images showed spherical shape of the nanoparticles and slightly higher polydispersity after coating with carbopol. Nitrogen physisorption and thermogravimetic analysis revealed that more efficient loading and incorporation into the pores of nanoparticles was achieved with the amino-functionalized silica carrier. Infrared spectra indicated that the post-coating of these nanoparticles with carbopol led to the formation of bond between amino groups of the functionalized carrier and carboxyl groups of carbopol. The combination of amino-functionalization of the carrier with the post-coating of the nanoparticles sustained budesonide release. Further, an in vitro model of inflammatory bowel disease showed that the cytoprotective effect of budesonide loaded in the post-coated silica nanoparticles on damaged HT-29 cells was more pronounced compared to the cytoprotection obtained with pure budesonide. -- Graphical abstract: Silica mesoporous MCM-41 particles were amino-functionalized, loaded with budesonide and post-coated with bioadhesive polymer (carbopol) in order to achieve prolonged residence of anti-inflammatory drug in GIT. Highlights: Higher drug loading in amino-functionalized mesoporous silica. Amino-functionalization and post-coating of the nanoparticles sustained drug release. Achievement of higher cytoprotective effect with drug loaded into the nanoparticles.

  13. Temperature and moisture dependence of dielectric constant for silica aerogels

    SciTech Connect (OSTI)

    Hrubesh, L.H., LLNL

    1997-03-01

    The dielectric constants of silica aerogels are among the lowest measured for any solid material. The silica aerogels also exhibit low thermal expansion and are thermally stable to temperatures exceeding 500{degrees}C. However, due to the open porosity and large surface areas for aerogels, their dielectric constants are strongly affected by moisture and temperature. This paper presents data for the dielectric constants of silica aerogels as a function of moisture content at 25{degrees}C, and as a function of temperature, for temperatures in the range from 25{degrees}C to 450{degrees}C. Dielectric constant data are also given for silica aerogels that are heat treated in dry nitrogen at 500{degrees}C, then cooled to 25{degrees}C for measurements in dry air. All measurements are made on bulk aerogel spheres at 22GHz microwave frequency, using a cavity perturbation method. The results of the dependence found here for bulk materials can be inferred to apply also to thin films of silica aerogels having similar nano-structures and densities.

  14. Subsurface Multiphase Flow and Multicomponent Reactive Transport Modeling using High-Performance Computing

    SciTech Connect (OSTI)

    Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

    2007-07-16

    Numerical modeling has become a critical tool to the U.S. Department of Energy for evaluating the environmental impact of alternative energy sources and remediation strategies for legacy waste sites. Unfortunately, the physical and chemical complexity of many sites overwhelms the capabilities of even most state of the art groundwater models. Of particular concern are the representation of highly-heterogeneous stratified rock/soil layers in the subsurface and the biological and geochemical interactions of chemical species within multiple fluid phases. Clearly, there is a need for higher-resolution modeling (i.e. more spatial, temporal, and chemical degrees of freedom) and increasingly mechanistic descriptions of subsurface physicochemical processes. We present SciDAC-funded research being performed in the development of PFLOTRAN, a parallel multiphase flow and multicomponent reactive transport model. Written in Fortran90, PFLOTRAN is founded upon PETSc data structures and solvers. We are employing PFLOTRAN in the simulation of uranium transport at the Hanford 300 Area, a contaminated site of major concern to the Department of Energy, the State of Washington, and other government agencies. By leveraging the billions of degrees of freedom available through high-performance computation using tens of thousands of processors, we can better characterize the release of uranium into groundwater and its subsequent transport to the Columbia River, and thereby better understand and evaluate the effectiveness of various proposed remediation strategies.

  15. Effects of multi-component diffusion and heat release on laminar diffusion flame liftoff

    SciTech Connect (OSTI)

    Li, Zhiliang; Chen, Ruey-Hung [Department of Mechanical, Materials and Aerospace Engineering, University of Central Florida, Orlando, FL 32816-2450 (United States); Phuoc, Tran X. [National Energy Technology Laboratory, Department of Energy, P.O. Box 10940, MS 84-340, Pittsburgh, PA 15261 (United States)

    2010-08-15

    Numerical simulations were conducted of the liftoff and stabilization phenomena of laminar jet diffusion flames of inert-diluted C{sub 3}H{sub 8} and CH{sub 4} fuels. Both non-reacting and reacting jets were investigated, including multi-component diffusivities and heat release effects (buoyancy and gas expansion). The role of Schmidt number for non-reacting jets was investigated, with no conclusive Schmidt number criterion for liftoff previously arrived at in similarity solutions. The cold-flow simulation for He-diluted CH{sub 4} fuel does not predict flame liftoff; however, adding heat release reaction lead to the prediction of liftoff, which is consistent with experimental observations. Including reaction was also found to improve liftoff height prediction for C{sub 3}H{sub 8} flames, with the flame base location differing from that in the similarity solution - the intersection of the stoichiometric and iso-velocity (equal to 1-D flame speed) is not necessary for flame stabilization (and thus liftoff). Possible mechanisms other than that proposed for similarity solution may better help to explain the stabilization and liftoff phenomena. (author)

  16. Directly imaging steeply-dipping fault zones in geothermal fields with multicomponent seismic data

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chen, Ting; Huang, Lianjie

    2015-07-30

    For characterizing geothermal systems, it is important to have clear images of steeply-dipping fault zones because they may confine the boundaries of geothermal reservoirs and influence hydrothermal flow. Elastic reverse-time migration (ERTM) is the most promising tool for subsurface imaging with multicomponent seismic data. However, conventional ERTM usually generates significant artifacts caused by the cross correlation of undesired wavefields and the polarity reversal of shear waves. In addition, it is difficult for conventional ERTM to directly image steeply-dipping fault zones. We develop a new ERTM imaging method in this paper to reduce these artifacts and directly image steeply-dipping fault zones.more » In our new ERTM method, forward-propagated source wavefields and backward-propagated receiver wavefields are decomposed into compressional (P) and shear (S) components. Furthermore, each component of these wavefields is separated into left- and right-going, or downgoing and upgoing waves. The cross correlation imaging condition is applied to the separated wavefields along opposite propagation directions. For converted waves (P-to-S or S-to-P), the polarity correction is applied to the separated wavefields based on the analysis of Poynting vectors. Numerical imaging examples of synthetic seismic data demonstrate that our new ERTM method produces high-resolution images of steeply-dipping fault zones.« less

  17. Geochemistry Sampling for Traditional and Multicomponent Equilibrium Geothermometry in Southeast Idaho

    SciTech Connect (OSTI)

    Cannon, Cody; Wood, Thomas; Neupane, Ghanashyam; McLing, Travis; Mattson, Earl; Dobson, Patrick; Conrad, Mark

    2014-10-01

    The Eastern Snake River Plain (ESRP) is an area of high regional heat flux due the movement of the North American Plate over the Yellowstone Hotspot beginning ca.16 Ma. Temperature gradients between 45-60 °C/km (up to double the global average) have been calculated from deep wells that penetrate the upper aquifer system (Blackwell 1989). Despite the high geothermal potential, thermal signatures from hot springs and wells are effectively masked by the rapid flow of cold groundwater through the highly permeable basalts of the Eastern Snake River Plain aquifer (ESRPA) (up to 500+ m thick). This preliminary study is part of an effort to more accurately predict temperatures of the ESRP deep thermal reservoir while accounting for the effects of the prolific cold water aquifer system above. This study combines the use of traditional geothermometry, mixing models, and a multicomponent equilibrium geothermometry (MEG) tool to investigate the geothermal potential of the ESRP. In March, 2014, a collaborative team including members of the University of Idaho, the Idaho National Laboratory, and the Lawrence Berkeley National Laboratory collected 14 thermal water samples from and adjacent to the Eastern Snake River Plain. The preliminary results of chemical analyses and geothermometry applied to these samples are presented herein.

  18. Multiphase flow and multicomponent reactive transport model of the ventilation experiment in Opalinus clay

    SciTech Connect (OSTI)

    Zheng, L.; Samper, J.; Montenegro, L.; Major, J.C.

    2008-10-15

    During the construction and operational phases of a high-level radioactive waste (HLW) repository constructed in a clay formation, ventilation of underground drifts will cause desaturation and oxidation of the rock. The Ventilation Experiment (VE) was performed in a 1.3 m diameter unlined horizontal microtunnel on Opalinus clay at Mont Terri underground research laboratory in Switzerland to evaluate the impact of desaturation on rock properties. A multiphase flow and reactive transport model of VE is presented here. The model accounts for liquid, vapor and air flow, evaporation/condensation and multicomponent reactive solute transport with kinetic dissolution of pyrite and siderite and local-equilibrium dissolution/precipitation of calcite, ferrihydrite, dolomite, gypsum and quartz. Model results reproduce measured vapor flow, liquid pressure and hydrochemical data and capture the trends of measured relative humidities, although such data are slightly overestimated near the rock interface due to uncertainties in the turbulence factor. Rock desaturation allows oxygen to diffuse into the rock and triggers pyrite oxidation, dissolution of calcite and siderite, precipitation of ferrihydrite, dolomite and gypsum and cation exchange. pH in the unsaturated rock varies from 7.8 to 8 and is buffered by calcite. Computed changes in the porosity and the permeability of Opalinus clay in the unsaturated zone caused by oxidation and mineral dissolution/precipitation are smaller than 5%. Therefore, rock properties are not expected to be affected significantly by ventilation of underground drifts during construction and operational phases of a HLW repository in clay.

  19. Directly imaging steeply-dipping fault zones in geothermal fields with multicomponent seismic data

    SciTech Connect (OSTI)

    Chen, Ting; Huang, Lianjie

    2015-07-30

    For characterizing geothermal systems, it is important to have clear images of steeply-dipping fault zones because they may confine the boundaries of geothermal reservoirs and influence hydrothermal flow. Elastic reverse-time migration (ERTM) is the most promising tool for subsurface imaging with multicomponent seismic data. However, conventional ERTM usually generates significant artifacts caused by the cross correlation of undesired wavefields and the polarity reversal of shear waves. In addition, it is difficult for conventional ERTM to directly image steeply-dipping fault zones. We develop a new ERTM imaging method in this paper to reduce these artifacts and directly image steeply-dipping fault zones. In our new ERTM method, forward-propagated source wavefields and backward-propagated receiver wavefields are decomposed into compressional (P) and shear (S) components. Furthermore, each component of these wavefields is separated into left- and right-going, or downgoing and upgoing waves. The cross correlation imaging condition is applied to the separated wavefields along opposite propagation directions. For converted waves (P-to-S or S-to-P), the polarity correction is applied to the separated wavefields based on the analysis of Poynting vectors. Numerical imaging examples of synthetic seismic data demonstrate that our new ERTM method produces high-resolution images of steeply-dipping fault zones.

  20. Surface modification of low density silica and bridged polysilsesquioxane aerogels

    SciTech Connect (OSTI)

    DeFriend, K. A. (Kimberly A.); Loy, D. A. (Douglas A.); Salazar, K. V. (Kenneth V.); Wilson, K. V. (Kennard V.)

    2004-01-01

    Silica and bridged polysilsesquioxane aerogels are low density materials that are attractive for applications such as, thermal insulation, porous separation media or catalyst supports, adsorbents. However, aerogels are notoriously weak and brittle making it difficult to handle and machine monoliths into desired forms. This prevents the development of many applications that would otherwise benefit from the use of the low density materials. We will describe our efforts to chemically modify and mechanically enhance silica-based aerogels using chemical vapor techniques without sacrificing their characteristic low densities. Monolithic silica and organically bridged polysilsesquioxane aerogels were prepared by sol-gel polymerization of the respective methoxysilane monomers followed by supercritical carbon dioxide drying of the gels. Reactive modification of the gels with volatile silylating compounds during and after the drying process and these effects on the mechanical properties and density of the aerogels will be described.

  1. PATCHY SILICA-COATED SILVER NANOWIRES AS SERS SUBSTRATES

    SciTech Connect (OSTI)

    Murph, S.; Murphy, C.

    2013-03-29

    We report a class of core-shell nanomaterials that can be used as efficient surface-enhancement Raman scattering (SERS) substrates. The core consists of silver nanowires, prepared through a chemical reduction process, that are used to capture 4- mercaptobenzoic acid (4-MBA), a model analyte. The shell was prepared through a modified Stber method and consists of patchy or full silica coats. The formation of silica coats was monitored via transmission electron microscopy, UV-visible spectroscopy and phase-analysis light scattering for measuring effective surface charge. Surprisingly, the patchy silica coated silver nanowires are better SERS substrate than silver nanowires; nanomolar concentration of 4-MBA can be detected. In addition, nano-matryoshka configurations were used to quantitate/explore the effect of the electromagnetic field at the tips of the nanowire (hot spots) in the Raman scattering experiment.

  2. Luminescent single-walled carbon nanotube/silica composite materials

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Luminescent single-walled carbon nanotube/silica composite materials Citation Details In-Document Search Title: Luminescent single-walled carbon nanotube/silica composite materials Authors: Dattelbaum, Andrew M [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2011-06-10 OSTI Identifier: 1072338 Report Number(s): LA-UR-11-03375; LA-UR-11-3375 DOE Contract Number: AC52-06NA25396 Resource Type: Conference Resource Relation:

  3. Increasing Class C fly ash reduces alkali silica reactivity

    SciTech Connect (OSTI)

    Hicks, J.K.

    2007-07-01

    Contrary to earlier studies, it has been found that incremental additions of Class C fly ash do reduce alkali silica reactivity (ASR), in highly reactive, high alkali concrete mixes. AST can be further reduced by substituting 5% metakaolin or silica fume for the aggregate in concrete mixes with high (more than 30%) Class C fly ash substitution. The paper reports results of studies using Class C fly ash from the Labadie Station plant in Missouri which typically has between 1.3 and 1.45% available alkalis by ASTM C311. 7 figs.

  4. Method for dissolution and stabilization of silica-rich fibers

    DOE Patents [OSTI]

    Jantzen, Carol M.

    1997-01-01

    A method for dissolving silica-rich fibers such as borosilicate fibers, fiberglass and asbestos to stabilize them for disposal. The method comprises (1) immersing the fibers in hot, five-weight-percent sodium hydroxide solution until the concentration of dissolved silica reaches equilibrium and a only a residue is left (about 48 hours), then immersing the residue in hot, five-weight-percent nitric acid until the residue dissolves (about 96 hours). After adjusting the pH of the dissolved fibers to be caustic, the solution can then be added to a waste vitrification stream for safe disposal. The method is useful in disposing contaminated HEME and HEPA filters.

  5. Low-Cost, Haziness-Free, Transparent Insulation Based On a Porous Silica

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Material | Department of Energy Low-Cost, Haziness-Free, Transparent Insulation Based On a Porous Silica Material Low-Cost, Haziness-Free, Transparent Insulation Based On a Porous Silica Material Image of porous silica material in alcohol.<br /> Photo credit: Oak Ridge National Lab Image of porous silica material in alcohol. Photo credit: Oak Ridge National Lab Lead Performer: Oak Ridge National Laboratory - Oak Ridge, TN Partner: VELUX Design and Development Company USA Inc.,

  6. A sequential partly iterative approach for multicomponent reactive transport with CORE2D

    SciTech Connect (OSTI)

    Samper, J.; Xu, T.; Yang, C.

    2008-11-01

    CORE{sup 2D} V4 is a finite element code for modeling partly or fully saturated water flow, heat transport and multicomponent reactive solute transport under both local chemical equilibrium and kinetic conditions. It can handle coupled microbial processes and geochemical reactions such as acid-base, aqueous complexation, redox, mineral dissolution/precipitation, gas dissolution/exsolution, ion exchange, sorption via linear and nonlinear isotherms, sorption via surface complexation. Hydraulic parameters may change due to mineral precipitation/dissolution reactions. Coupled transport and chemical equations are solved by using sequential iterative approaches. A sequential partly-iterative approach (SPIA) is presented which improves the accuracy of the traditional sequential noniterative approach (SNIA) and is more efficient than the general sequential iterative approach (SIA). While SNIA leads to a substantial saving of computing time, it introduces numerical errors which are especially large for cation exchange reactions. SPIA improves the efficiency of SIA because the iteration between transport and chemical equations is only performed in nodes with a large mass transfer between solid and liquid phases. The efficiency and accuracy of SPIA are compared to those of SIA and SNIA using synthetic examples and a case study of reactive transport through the Llobregat Delta aquitard in Spain. SPIA is found to be as accurate as SIA while requiring significantly less CPU time. In addition, SPIA is much more accurate than SNIA with only a minor increase in computing time. A further enhancement of the efficiency of SPIA is achieved by improving the efficiency of the Newton-Raphson method used for solving chemical equations. Such an improvement is obtained by working with increments of log-concentrations and ignoring the terms of the Jacobian matrix containing derivatives of activity coefficients. A proof is given for the symmetry and non-singularity of the Jacobian matrix. Numerical analyses performed with synthetic examples confirm that these modifications improve the efficiency and convergence of the iterative algorithm.

  7. Subsurface Multiphase Flow and Multicomponent Reactive Transport Modeling using High-Performance Computing

    SciTech Connect (OSTI)

    Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

    2007-08-01

    Numerical modeling has become a critical tool to the Department of Energy for evaluating the environmental impact of alternative energy sources and remediation strategies for legacy waste sites. Unfortunately, the physical and chemical complexity of many sites overwhelms the capabilities of even most state of the art groundwater models. Of particular concern are the representation of highly-heterogeneous stratified rock/soil layers in the subsurface and the biological and geochemical interactions of chemical species within multiple fluid phases. Clearly, there is a need for higher-resolution modeling (i.e. more spatial, temporal, and chemical degrees of freedom) and increasingly mechanistic descriptions of subsurface physicochemical processes. We present research being performed in the development of PFLOTRAN, a parallel multiphase flow and multicomponent reactive transport model. Written in Fortran90, PFLOTRAN is founded upon PETSc data structures and solvers and has exhibited impressive strong scalability on up to 4000 processors on the ORNL Cray XT3. We are employing PFLOTRAN in the simulation of uranium transport at the Hanford 300 Area, a contaminated site of major concern to the Department of Energy, the State of Washington, and other government agencies where overly-simplistic historical modeling erroneously predicted decade removal times for uranium by ambient groundwater flow. By leveraging the billions of degrees of freedom available through high-performance computation using tens of thousands of processors, we can better characterize the release of uranium into groundwater and its subsequent transport to the Columbia River, and thereby better understand and evaluate the effectiveness of various proposed remediation strategies.

  8. Vaporization modeling of petroleum-biofuel drops using a hybrid multi-component approach

    SciTech Connect (OSTI)

    Zhang, Lei; Kong, Song-Charng

    2010-11-15

    Numerical modeling of the vaporization characteristics of multi-component fuel mixtures is performed in this study. The fuel mixtures studied include those of binary components, biodiesel, diesel-biodiesel, and gasoline-ethanol. The use of biofuels has become increasingly important for reasons of environmental sustainability. Biofuels are often blended with petroleum fuels, and the detailed understanding of the vaporization process is essential to designing a clean and efficient combustion system. In this study, a hybrid vaporization model is developed that uses continuous thermodynamics to describe petroleum fuels and discrete components to represent biofuels. The model is validated using the experimental data of n-heptane, n-heptane-n-decane mixture, and biodiesel. Since biodiesel properties are not universal due to the variation in feedstock, methods for predicting biodiesel properties based on the five dominant fatty acid components are introduced. Good levels of agreement in the predicted and measured drop size histories are obtained. Furthermore, in modeling the diesel-biodiesel drop, results show that the drop lifetime increases with the biodiesel concentration in the blend. During vaporization, only the lighter components of diesel fuel vaporize at the beginning. Biodiesel components do not vaporize until some time during the vaporization process. On the other hand, results of gasoline-ethanol drops indicate that both fuels start to vaporize once the process begins. At the beginning, the lighter components of gasoline have a slightly higher vaporization rate than ethanol. After a certain time, ethanol vaporizes faster than the remaining gasoline components. At the end, the drop reduces to a regular gasoline drop with heavier components. Overall, the drop lifetime increases as the concentration of ethanol increases in the drop due to the higher latent heat. (author)

  9. A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications

    SciTech Connect (OSTI)

    Pei, Yuanjiang; Mehl, Marco; Liu, Wei; Lu, Tianfeng; Pitz, William J.; Som, Sibendu

    2015-05-12

    A mixture of n-dodecane and m-xylene is investigated as a diesel fuel surrogate for compression ignition engine applications. Compared to neat n-dodecane, this binary mixture is more representative of diesel fuel because it contains an alkyl-benzene which represents an important chemical class present in diesel fuels. A detailed multi-component mechanism for n-dodecane and m-xylene was developed by combining a previously developed n-dodecane mechanism with a recently developed mechanism for xylenes. The xylene mechanism is shown to reproduce experimental ignition data from a rapid compression machine and shock tube, speciation data from the jet stirred reactor and flame speed data. This combined mechanism was validated by comparing predictions from the model with experimental data for ignition in shock tubes and for reactivity in a flow reactor. The combined mechanism, consisting of 2885 species and 11754 reactions, was reduced to a skeletal mechanism consisting 163 species and 887 reactions for 3D diesel engine simulations. The mechanism reduction was performed using directed relation graph (DRG) with expert knowledge (DRG-X) and DRG-aided sensitivity analysis (DRGASA) at a fixed fuel composition of 77% of n-dodecane and 23% m-xylene by volume. The sample space for the reduction covered pressure of 1 – 80 bar, equivalence ratio of 0.5 – 2.0, and initial temperature of 700 – 1600 K for ignition. The skeletal mechanism was compared with the detailed mechanism for ignition and flow reactor predictions. Finally, the skeletal mechanism was validated against a spray flame dataset under diesel engine conditions documented on the Engine Combustion Network (ECN) website. These multi-dimensional simulations were performed using a Representative Interactive Flame (RIF) turbulent combustion model. Encouraging results were obtained compared to the experiments with regards to the predictions of ignition delay and lift-off length at different ambient temperatures.

  10. High temperature thermographic measurements of laser heated silica

    SciTech Connect (OSTI)

    Elhadj, S; Yang, S T; Matthews, M J; Cooke, D J; Bude, J D; Johnson, M; Feit, M; Draggoo, V; Bisson, S E

    2009-11-02

    In situ spatial and temporal surface temperature profiles of CO{sub 2} laser-heated silica were obtained using a long wave infrared (LWIR) HgCdTe camera. Solutions to the linear diffusion equation with volumetric and surface heating are shown to describe the temperature evolution for a range of beam powers, over which the peak surface temperature scales linearly with power. These solutions were used with on-axis steady state and transient experimental temperatures to extract thermal diffusivity and conductivity for a variety of materials, including silica, spinel, sapphire, and lithium fluoride. Experimentally-derived thermal properties agreed well with reported values and, for silica, thermal conductivity and diffusivity are shown to be approximately independent of temperature between 300 and 2800K. While for silica our analysis based on a temperature independent thermal conductivity is shown to be accurate, for other materials studied this treatment yields effective thermal properties that represent reasonable approximations for laser heating. Implementation of a single-wavelength radiation measurement in the semi-transparent regime is generally discussed, and estimates of the apparent temperature deviation from the actual outer surface temperature are also presented. The experimental approach and the simple analysis presented yield surface temperature measurements that can be used to validate more complex physical models, help discriminate dominant heat transport mechanisms, and to predict temperature distribution and evolution during laser-based material processing.

  11. Fractal Studies on Titanium-Silica Aerogels using SMARTer

    SciTech Connect (OSTI)

    Putra, E. Giri Rachman; Ikram, A.; Bharoto; Santoso, E. [Neutron Scattering Laboratory, BATAN, Kawasan Puspiptek Serpong, Tangerang 15314 (Indonesia); Fang, T. Chiar; Ibrahim, N. [Department of Physics, Faculty of Science Universiti Teknologi Malaysia (UTM), 81310 Skudai, Johor (Malaysia); Mohamed, A. Aziz [Materials Technology Group, Industrial Technology Division Agensi Nuklear Malaysia, 43000 Kajang (Malaysia)

    2008-03-17

    Power-law scattering approximation has been employed to reveal the fractal structures of solid-state titanium-silica aerogel samples. All small-angle neutron scattering (SANS) measurements were performed using 36 meters SANS BATAN spectrometer (SMARTer) at the neutron scattering laboratory (NSL) in Serpong, Indonesia. The mass fractal dimension of titanium-silica aerogels at low scattering vector q range increases from -1.4 to -1.92 with the decrease of acid concentrations during sol-gel process. These results are attributed to the titanium-silica aerogels that are growing to more polymeric and branched structures. At high scattering vector q range the Porod slope of -3.9 significantly down to -2.24 as the roughness of particle surfaces becomes higher. The cross over between these two regimes decreases from 0.4 to 0.16 nm{sup -1} with the increase of acid concentrations indicating also that the titanium-silica aerogels are growing.

  12. Silica-Supported Tantalum Clusters: Catalyst for Alkane Conversion

    SciTech Connect (OSTI)

    Nemana ,S.; Gates, B.

    2006-01-01

    Silica-supported tantalum clusters (on average, approximately tritantalum) were formed by the treatment, in either H{sub 2} or ethane, of adsorbed Ta(CH{sub 2}Ph){sub 5}; the supported catalyst is active for ethane conversion to methane and propane at 523 K, with the used catalyst containing clusters of the same average nuclearity as the precursor.

  13. Chemoradiotherapeutic wrinkled mesoporous silica nanoparticles for use in cancer therapy

    SciTech Connect (OSTI)

    Munaweera, Imalka; Balkus, Kenneth J. Jr. E-mail: Anthony.DiPasqua@unthsc.edu; Koneru, Bhuvaneswari; Shi, Yi; Di Pasqua, Anthony J. E-mail: Anthony.DiPasqua@unthsc.edu

    2014-11-01

    Over the last decade, the development and application of nanotechnology in cancer detection, diagnosis, and therapy have been widely reported. Engineering of vehicles for the simultaneous delivery of chemo- and radiotherapeutics increases the effectiveness of the therapy and reduces the dosage of each individual drug required to produce an observable therapeutic response. We here developed a novel chemoradiotherapeutic 1,2-dioleoyl-sn-glycero-3-phosphocholine lipid coated/uncoated platinum drug loaded, holmium-containing, wrinkled mesoporous silica nanoparticle. The materials were characterized with TEM, FTIR, {sup 1}H NMR, energy dispersive x-ray, inductively coupled plasma-mass spectrometry, and zeta potential measurements. In vitro platinum drug release from both lipid coated and uncoated chemoradiotherapeutic wrinkled mesoporous silica are reported. Various kinetic models were used to analyze the release kinetics. The radioactivity of the chemoradiotherapeutic nanocarriers was measured after neutron-activation.

  14. Molecular engineering of porous silica using aryl templates

    DOE Patents [OSTI]

    Loy, Douglas A.; Shea, Kenneth J.

    1994-01-01

    A process for manipulating the porosity of silica using a series of organic template groups covalently incorporated into the silicate matrix. The templates in the bridged polysilsesquioxanes are selectively removed from the material by oxidation with oxygen plasma or other means, leaving engineered voids or pores. The size of these pores is dependent upon the length or size of the template or spacer. The size of the templates is measured in terms of Si-Si distances which range from about 0.67 nm to 1.08 nm. Changes introduced by the loss of the templates result in a narrow range of micropores (i.e. <2 nm). Both aryl and alkyl template groups are used as spacers. Novel microporous silica materials useful as molecular seives, dessicants, and catalyst supports are produced.

  15. Molecular engineering of porous silica using aryl templates

    DOE Patents [OSTI]

    Loy, D.A.; Shea, K.J.

    1994-06-14

    A process is described for manipulating the porosity of silica using a series of organic template groups covalently incorporated into the silicate matrix. The templates in the bridged polysilsesquioxanes are selectively removed from the material by oxidation with oxygen plasma or other means, leaving engineered voids or pores. The size of these pores is dependent upon the length or size of the template or spacer. The size of the templates is measured in terms of Si-Si distances which range from about 0.67 nm to 1.08 nm. Changes introduced by the loss of the templates result in a narrow range of micropores (i.e. <2 nm). Both aryl and alkyl template groups are used as spacers. Novel microporous silica materials useful as molecular sieves, desiccants, and catalyst supports are produced. 3 figs.

  16. Silica aerogels modified by functional and nonfunctional organic groups

    SciTech Connect (OSTI)

    Schubert, U.; Huesing, N.; Schwertfeger, F. [Universitaet Wien (Austria)

    1996-12-31

    Organically substituted silica aerogels were prepared from RSi(OR`){sub 3}/Si(OR`){sub 4} mixtures, followed by supercritical drying. The typical microstructure and the resulting physical properties of silica aerogels are retained, if the portion of R-Si units is below 10-20%. However, new properties are supplemented, such as hydrophobicity (which makes the aerogels insensitive towards moisture), a higher compliance, and the possibility to incorporate functional organic groups. Controlled pyrolysis of the organically substituted aerogels allows to coat the inner surface of the aerogels with nanometer-sized carbon structures. This results in a very efficient infrared opacification and improved heat insulation properties at high temperatures. 5 refs., 2 figs.

  17. Method for dissolution and stabilization of silica-rich fibers

    DOE Patents [OSTI]

    Jantzen, C.M.

    1997-11-11

    A method is described for dissolving silica-rich fibers such as borosilicate fibers, fiberglass and asbestos to stabilize them for disposal. The method comprises (1) immersing the fibers in hot, five-weight-percent sodium hydroxide solution until the concentration of dissolved silica reaches equilibrium and a only a residue is left (about 48 hours), then immersing the residue in hot, five-weight-percent nitric acid until the residue dissolves (about 96 hours). After adjusting the pH of the dissolved fibers to be caustic, the solution can then be added to a waste vitrification stream for safe disposal. The method is useful in disposing contaminated HEME and HEPA filters. 1 fig.

  18. Synthesis of mesoporous silica materials from municipal solid waste incinerator bottom ash

    SciTech Connect (OSTI)

    Liu, Zhen-Shu Li, Wen-Kai; Huang, Chun-Yi

    2014-05-01

    Highlights: The optimal alkaline agent for the extraction of silica from bottom ash was Na{sub 2}CO{sub 3}. The pore sizes for the mesoporous silica synthesized from bottom ash were 23.8 nm. The synthesized materials exhibited a hexagonal pore structure with a smaller order. The materials have potential for the removal of heavy metals from aqueous solutions. - Abstract: Incinerator bottom ash contains a large amount of silica and can hence be used as a silica source for the synthesis of mesoporous silica materials. In this study, the conditions for alkaline fusion to extract silica from incinerator bottom ash were investigated, and the resulting supernatant solution was used as the silica source for synthesizing mesoporous silica materials. The physical and chemical characteristics of the mesoporous silica materials were analyzed using BET, XRD, FTIR, SEM, and solid-state NMR. The results indicated that the BET surface area and pore size distribution of the synthesized silica materials were 992 m{sup 2}/g and 23.8 nm, respectively. The XRD patterns showed that the synthesized materials exhibited a hexagonal pore structure with a smaller order. The NMR spectra of the synthesized materials exhibited three peaks, corresponding to Q{sup 2} [Si(OSi){sub 2}(OH){sub 2}], Q{sup 3} [Si(OSi){sub 3}(OH)], and Q{sup 4} [Si(OSi){sub 4}]. The FTIR spectra confirmed the existence of a surface hydroxyl group and the occurrence of symmetric SiO stretching. Thus, mesoporous silica was successfully synthesized from incinerator bottom ash. Finally, the effectiveness of the synthesized silica in removing heavy metals (Pb{sup 2+}, Cu{sup 2+}, Cd{sup 2+}, and Cr{sup 2+}) from aqueous solutions was also determined. The results showed that the silica materials synthesized from incinerator bottom ash have potential for use as an adsorbent for the removal of heavy metals from aqueous solutions.

  19. Silica diagenesis in Santa Cruz mudstone, Late Miocene, California

    SciTech Connect (OSTI)

    El-Sabbagh, D.

    1987-05-01

    The silica-rich upper Miocene Santa Cruz Mudstone is similar to the Miocene Monterey Formation. Previous studies have suggested the Santa Cruz Mudstone was not buried deeply nor had it undergone extensive diagenesis. Because opaline diagenesis is temperature dependent, the author examined the silica diagenesis of the Santa Cruz Mudstone using scanning electron microscopy and x-ray diffraction methods to study its burial history. In a series of samples from Santa Cruz to Davenport, California (over 16 km), opal-CT is the dominant silica phase present and clay minerals are notably absent. The d(101)-spacing values of opal-CT range from 4.11 A (Santa Cruz area) to 4.06 A (north of Santa Cruz), exhibiting the complete range of d(101)-spacing values found in opal-CT zones. Scanning electron micrographs of crystalline microtextures show rosettes of opal-CT (lepispheres) in cavities of samples with medium to high d(101)-spacing values. The morphology of lepisphere crystallites grades from bladed to spiny with decreasing d(101)-spacing values, reflecting an internal crystal ordering with increased diagenesis. Further diagenetic changes occurred in a sample with 4.06 A d(101)-spacing where incipient quartz crystals signal the initial conversion of opal-CT to microcrystalline quartz. Silica diagenesis demonstrates that burial temperatures surpassed the range of opal-A to opal-CT conversion and approached conversion temperatures (55/sup 0/C to 110/sup 0/C) of opal-CT to microcrystalline quartz. The conversion occurred when the Santa Cruz Mudstone was buried over 1900 m (depth calculated from a geohistory diagram). This burial temperature brings the Santa Cruz Mudstone within the oil generation window, and could account for the presence of hydrocarbons in the unit.

  20. Hollow microspheres of silica glass and method of manufacture

    DOE Patents [OSTI]

    Downs, Raymond L.; Miller, Wayne J.

    1982-01-01

    A method of manufacturing gel powder suitable for use as a starting material in the manufacture of hollow glass microspheres having a high concentration of silica. The powder is manufactured from a gel containing boron in the amount of about 1% to 20% (oxide equivalent mole percent), alkali metals, specifically potassium and sodium, in an amount exceeding 8% total, and the remainder silicon. Preferably, the ratio of potassium to sodium is greater than 1.5.

  1. Process for manufacturing hollow fused-silica insulator cylinder

    DOE Patents [OSTI]

    Sampayan, Stephen E.; Krogh, Michael L.; Davis, Steven C.; Decker, Derek E.; Rosenblum, Ben Z.; Sanders, David M.; Elizondo-Decanini, Juan M.

    2001-01-01

    A method for building hollow insulator cylinders that can have each end closed off with a high voltage electrode to contain a vacuum. A series of fused-silica round flat plates are fabricated with a large central hole and equal inside and outside diameters. The thickness of each is related to the electron orbit diameter of electrons that escape the material surface, loop, and return back. Electrons in such electron orbits can support avalanche mechanisms that result in surface flashover. For example, the thickness of each of the fused-silica round flat plates is about 0.5 millimeter. In general, the thinner the better. Metal, such as gold, is deposited onto each top and bottom surface of the fused-silica round flat plates using chemical vapor deposition (CVD). Eutectic metals can also be used with one alloy constituent on the top and the other on the bottom. The CVD, or a separate diffusion step, can be used to defuse the deposited metal deep into each fused-silica round flat plate. The conductive layer may also be applied by ion implantation or gas diffusion into the surface. The resulting structure may then be fused together into an insulator stack. The coated plates are aligned and then stacked, head-to-toe. Such stack is heated and pressed together enough to cause the metal interfaces to fuse, e.g., by welding, brazing or eutectic bonding. Such fusing is preferably complete enough to maintain a vacuum within the inner core of the assembled structure. A hollow cylinder structure results that can be used as a core liner in a dielectric wall accelerator and as a vacuum envelope for a vacuum tube device where the voltage gradients exceed 150 kV/cm.

  2. Silica aerogel: An intrinsically low dielectric constant material

    SciTech Connect (OSTI)

    Hrubesh, L.W.

    1995-04-01

    Silica aerogels are highly porous solids having unique morphologies in wavelength of visible which both the pores and particles have sizes less than the wavelength of visible light. This fine nanostructure modifies the normal transport mechanisms within aerogels and endows them with a variety of exceptional physical properties. For example, aerogels have the lowest measured thermal conductivity and dielectric constant for any solid material. The intrinsically low dielectric properties of silica aerogels are the direct result of the extremely high achievable porosities, which are controllable over a range from 75% to more than 99.8 %, and which result in measured dielectric constants from 2.0 to less than 1.01. This paper discusses the synthesis of silica aerogels, processing them as thin films, and characterizing their dielectric properties. Existing data and other physical characteristics of bulk aerogels (e.g., thermal stablity, thermal expansion, moisture adsorption, modulus, dielectric strength, etc.), which are useful for evaluating them as potential dielectrics for microelectronics, are also given.

  3. Silylation of low-density silica and bridged polysilsesquioxane aerogels

    SciTech Connect (OSTI)

    DeFriend, K. A. (Kimberly A.); Loy, D. A. (Douglas A.); Salazar, K. V. (Kenneth V.); Wilson, K. V. (Kennard V.)

    2004-01-01

    Silica and bridged polysilsesquioxane aerogels are low-density materials that are attractive for applications such as thermal insulation, porous separation media or catalyst supports, adsorbents, and cometary dust capture agents. However, aerogels are notoriously weak and brittle making it difficult to handle and machine monoliths into desired forms. This complication prevents the development of many applications that would otherwise benefit from the use of the low-density materials. Here, we will describe our efforts to chemically modify and mechanically enhance silica-based aerogels using chemical vapor techniques without sacrificing their characteristic low densities. Monolithic silica and organic-bridged polysilsesquioxane aerogels were prepared by sol-gel polymerization of the respective methoxysilane monomers followed by supercritical carbon dioxide drying of the gels. Then the gels were reactively modified with silylating agents to demonstrate the viability of CVD modification of aerogels, and to determine the effects of silylation of surface silanols on the morphology, surface area, and mechanical properties of the resulting aerogels.

  4. Optical emission from erbium-doped silica nanowires

    SciTech Connect (OSTI)

    Elliman, R. G.; Wilkinson, A. R.; Kim, T.-H.; Sekhar, P. K.; Bhansali, S.

    2008-05-15

    Infrared optical emission from erbium-doped silica nanowires is shown to have property characteristic of the material nanostructure and to provide the basis for the fabrication of integrated photonic devices and biosensors. Silica nanowires of approximately 150 nm diameter were grown on a silicon wafer by metal-induced growth using a thin (20 nm) sputter-deposited palladium layer as a catalyst. The resulting wires were then ion implanted with 110 keV ErO{sup -} ions and annealed at 900 deg. C to optically activate the erbium. These wires exhibited photoluminescence emission at 1.54 {mu}m, characteristic of the {sup 4}I{sub 15/2}-{sup 4}I{sub 13/2} transition in erbium; however, comparison to similarly implanted fused silica layers revealed stronger thermal quenching and longer luminescence lifetimes in the nanowire samples. The former is attributed to an increase in defect-induced quenching partly due to the large surface-volume ratio of the nanowires, while the latter is attributed to a reduction in the optical density of states associated with the nanostructure morphology. Details of this behavior are discussed together with the implications for potential device applications.

  5. Antireflective graded index silica coating, method for making

    DOE Patents [OSTI]

    Yoldas, Bulent E.; Partlow, Deborah P.

    1985-01-01

    Antireflective silica coating for vitreous material is substantially non-reflecting over a wide band of radiations. This is achieved by providing the coating with a graded degree of porosity which grades the index of refraction between that of air and the vitreous material of the substrate. To prepare the coating, there is first prepared a silicon-alkoxide-based coating solution of particular polymer structure produced by a controlled proportion of water to alkoxide and a controlled concentration of alkoxide to solution, along with a small amount of catalyst. The primary solvent is alcohol and the solution is polymerized and hydrolized under controlled conditions prior to use. The prepared solution is applied as a film to the vitreous substrate and rapidly dried. It is thereafter heated under controlled conditions to volatilize the hydroxyl radicals and organics therefrom and then to produce a suitable pore morphology in the residual porous silica layer. The silica layer is then etched in order to enlarge the pores in a graded fashion, with the largest of the pores remaining being sufficiently small that radiations to be passed through the substrate are not significantly scattered. For use with quartz substrates, extremely durable coatings which display only 0.1% reflectivity have been prepared.

  6. Synthesis of silica coated zinc oxide-poly(ethylene-co-acrylic acid)

    Office of Scientific and Technical Information (OSTI)

    matrix and its UV shielding evaluation (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Synthesis of silica coated zinc oxide-poly(ethylene-co-acrylic acid) matrix and its UV shielding evaluation Citation Details In-Document Search Title: Synthesis of silica coated zinc oxide-poly(ethylene-co-acrylic acid) matrix and its UV shielding evaluation Graphical abstract: - Highlights: * Well layer thickness controlled silica shell was made on ZnO nanoparticles. *

  7. Preparation of silica stabilized biological templates for the production of metal and layered nanoparticles

    DOE Patents [OSTI]

    Culver, James N; Royston, Elizabeth; Brown, Adam; Harris, Michael

    2013-02-26

    The present invention relates to a system and method providing for increased silica growth on a bio-template, wherein the bio-template is pretreated with aniline to produce a uniform silica attractive surface and yielding a significant silica layers of at least 10 nm, and more preferably at least 20 nm in thickness, thereby providing for a high degree of stability to the bio-template.

  8. Oxidative alteration of spent fuel in a silica-rich environment...

    Office of Scientific and Technical Information (OSTI)

    SEMAEM investigation and geochemical modeling Citation Details In-Document Search Title: Oxidative alteration of spent fuel in a silica-rich environment: SEMAEM ...

  9. Synthesis and new structure shaping mechanism of silica particles formed at high pH

    SciTech Connect (OSTI)

    Zhang, Henan; Zhao, Yu; Akins, Daniel L.

    2012-10-15

    For the sol-gel synthesis of silica particles under high pH catalytic conditions (pH>12) in water/ethanol solvent, we have deduced that the competing dynamics of chemical etching and sol-gel process can explain the types of silica particles formed and their morphologies. We have demonstrated that emulsion droplets that are generated by adding tetraethyl orthosilicate (TEOS) to a water-ethanol solution serve as soft templates for hollow spherical silica (1-2 {mu}m). And if the emulsion is converted by the sol-gel process, one finds that suspended solid silica spheres of diameter of {approx}900 nm are formed. Moreover, several other factors are found to play fundamental roles in determining the final morphologies of silica particles, such as by variation of the pH (in our case, using OH{sup -}) to a level where condensation dominates; by changing the volume ratios of water/ethanol; and using an emulsifier (specifically, CTAB) - Graphical abstract: 'Local chemical etching' and sol-gel process have been proposed to interpret the control of morphologies of silica particles through varying initial pHs in syntheses. Highlights: Black-Right-Pointing-Pointer Different initial pHs in our syntheses provides morphological control of silica particles. Black-Right-Pointing-Pointer 'Local chemical etching' and sol-gel process describes the formation of silica spheres. Black-Right-Pointing-Pointer The formation of emulsions generates hollow silica particles.

  10. Characterization of Dry-Air Aged Granules of Silver-Functionalized Silica

    Office of Scientific and Technical Information (OSTI)

    Aerogel (Technical Report) | SciTech Connect Dry-Air Aged Granules of Silver-Functionalized Silica Aerogel Citation Details In-Document Search Title: Characterization of Dry-Air Aged Granules of Silver-Functionalized Silica Aerogel This is a letter report to complete level 3 milestone "Assess aging characteristics of silica aerogels" for DOE FCRD program. Recently, samples of Ag0-functionalized silica aerogel were aged in flowing dry air for up to 6 months and then loaded with

  11. Confinement of Metal-Organic Polyhedra in Silica Nanopores | Center for

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Confinement of Metal-Organic Polyhedra in Silica Nanopores

  12. Thermal annealing of laser damage precursors on fused silica surfaces

    SciTech Connect (OSTI)

    Shen, N; Miller, P E; Bude, J D; Laurence, T A; Suratwala, T I; Steele, W A; Feit, M D; Wang, L L

    2012-03-19

    Previous studies have identified two significant precursors of laser damage on fused silica surfaces at fluenes below {approx} 35 J/cm{sup 2}, photoactive impurities in the polishing layer and surface fractures. In the present work, isothermal heating is studied as a means of remediating the highly absorptive, defect structure associated with surface fractures. A series of Vickers indentations were applied to silica surfaces at loads between 0.5N and 10N creating fracture networks between {approx} 10{micro}m and {approx} 50{micro}m in diameter. The indentations were characterized prior to and following thermal annealing under various times and temperature conditions using confocal time-resolved photo-luminescence (CTP) imaging, and R/1 optical damage testing with 3ns, 355nm laser pulses. Significant improvements in the damage thresholds, together with corresponding reductions in CTP intensity, were observed at temperatures well below the glass transition temperature (T{sub g}). For example, the damage threshold on 05.N indentations which typically initiates at fluences <8 J/cm{sup 2} could be improved >35 J/cm{sup 2} through the use of a {approx} 750 C thermal treatment. Larger fracture networks required longer or higher temperature treatment to achieve similar results. At an annealing temperature > 1100 C, optical microscopy indicates morphological changes in some of the fracture structure of indentations, although remnants of the original fracture and significant deformation was still observed after thermal annealing. This study demonstrates the potential of using isothermal annealing as a means of improving the laser damage resistance of fused silica optical components. Similarly, it provides a means of further understanding the physics associated with optical damage and related mitigation processes.

  13. Some engineering properties of heavy concrete added silica fume

    SciTech Connect (OSTI)

    Akka?, Ay?e; Ba?yi?it, Celalettin; Esen, Serap

    2013-12-16

    Many different types of building materials have been used in building construction for years. Heavy concretes can be used as a building material for critical building as it can contain a mixture of many heavy elements. The barite itself for radiation shielding can be used and also in concrete to produce the workable concrete with a maximum density and adequate structural strength. In this study, some engineering properties like compressive strength, elasticity modules and flexure strength of heavy concretes added Silica fume have been investigated.

  14. Patterning of silica microsphere monolayers with focused femtosecond laser pulses

    SciTech Connect (OSTI)

    Cai Wenjian; Piestun, Rafael

    2006-03-13

    We demonstrate the patterning of monolayer silica microsphere lattices with tightly focused femtosecond laser pulses. We selectively removed microspheres from a lattice and characterized the effect on the lattice and the substrate. The proposed physical mechanism for the patterning process is laser-induced breakdown followed by ablation of material. We show that a microsphere focuses radiation in its interior and in the near field. This effect plays an important role in the patterning process by enhancing resolution and accuracy and by reducing the pulse energy threshold for damage. Microsphere patterning could create controlled defects within self-assembled opal photonic crystals.

  15. Controlled release of ibuprofen by mesomacroporous silica

    SciTech Connect (OSTI)

    Santamara, E. Maestro, A.; Porras, M.; Gutirrez, J.M.; Gonzlez, C.

    2014-02-15

    Structured mesomacroporous silica was successfully synthesized from an O/W emulsion using decane as a dispersed phase. Sodium silicate solution, which acts as a silica source and a poly(ethylene oxide)poly(propylene oxide)poly(ethylene oxide) (EO{sub 19}PO{sub 39}EO{sub 19}) denoted as P84 was used in order to stabilize the emulsion and as a mesopore template. The materials obtained were characterized through transmission electron microscopy (TEM), scanning electron microscopy (SEM), small-angle X-ray diffraction scattering (SAXS) and nitrogen adsorptiondesorption isotherms. Ibuprofen (IBU) was selected as the model drug and loaded into ordered mesomacroporous materials. The effect of the materials properties on IBU drug loading and release was studied. The results showed that the loading of IBU increases as the macropore presence in the material is increased. The IBU adsorption process followed the Langmuir adsorption isotherm. A two-step release process, consisting of an initial fast release and then a slower release was observed. Macropores enhanced the adsorption capacity of the material; this was probably due to the fact that they allowed the drug to access internal pores. When only mesopores were present, ibuprofen was probably adsorbed on the mesopores close to the surface. Moreover, the more macropore present in the material, the slower the release behaviour observed, as the ibuprofen adsorbed in the internal pores had to diffuse along the macropore channels up to the surface of the material. The material obtained from a highly concentrated emulsion was functionalized with amino groups using two methods, the post-grafting mechanism and the co-condensation mechanism. Both routes improve IBU adsorption in the material and show good behaviour as a controlled drug delivery system. - Graphical abstract: Ibuprofen release profiles for the materials obtained from samples P84{sub m}eso (black diamonds), P84{sub 2}0% (white squares), P84{sub 5}0% (black triangles), P84{sub 7}5% (white diamonds), P84{sub 7}5% functionalized by grafting (black squares) and P84{sub 7}5% functionalized by co-condensation method (white triangles). Display Omitted - Highlights: Ordered mesomacroporous material is used as a controlled delivery system for ibuprofen. Incorporation of macropores in mesoporous silica improves ibuprofen adsorption. Mesomacroporous structures provide a lower delivery than mesoporous silica. APTES functionalization in mesomacroporous materials improves ibuprofen adsorption and delivery behaviour.

  16. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, Alexis; Michalske, Terry Arthur; Smith, William Larry

    1999-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  17. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, Alexis; Michalske, Terry Arthur; Smith, William Larry

    1999-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditons. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  18. Method for chemical surface modification of fumed silica particles

    DOE Patents [OSTI]

    Grabbe, Alexis; Michalske, Terry Arthur; Smith, William Larry

    1999-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  19. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, Alexis; Michalske, Terry Arthur; Smith, William Larry

    1998-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  20. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, A.; Michalske, T.A.; Smith, W.L.

    1998-04-07

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating. 11 figs.

  1. Method for chemical surface modification of fumed silica particles

    DOE Patents [OSTI]

    Grabbe, A.; Michalske, T.A.; Smith, W.L.

    1999-05-11

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating. 11 figs.

  2. Synthesis and properties of Chitosan-silica hybrid aerogels

    SciTech Connect (OSTI)

    Ayers, Michael R.; Hunt, Arlon J.

    2001-06-01

    Chitosan, a polymer that is soluble in dilute aqueous acid, is derived from chitin, a natural polyglucosamide. Aquagels where the solid phase consists of both chitosan and silica can be easily prepared by using an acidic solution of chitosan to catalyze the hydrolysis and condensation of tetraethylorthosilicate. Gels with chitosan/TEOS mass ratios of 0.1-1.1 have been prepared by this method. Standard drying processes using CO{sub 2} give the corresponding aerogels. The amount of chitosan in the gel plays a role in the shrinkage of the aerogel during drying. Gels with the lowest chitosan/silica ratios show the most linear shrinkage, up to 24%, while those with the highest ratios show only a 7% linear shrinkage. Pyrolysis at 700 C under nitrogen produces a darkened aerogel due to the thermal decomposition of the chitosan, however, the aerogel retains its monolithic form. The pyrolyzed aerogels absorb slightly more infrared radiation in the 2-5 {micro}m region than the original aerogels. B.E.T. surface areas of these aerogels range from 470-750 m{sup 2}/g. Biocompatibility screening of this material shows a very high value for hemolysis, but a low value for cytotoxicity.

  3. Silica separation from reinjection brines at Monte Amiata geothermal plants, Italy

    SciTech Connect (OSTI)

    Vitolo, S.; Cialdella, M.L. . Dipartimento di Ingegneria Chimica)

    1994-06-01

    A process for the separation of silica from geothermal reinjection brines is reported, in which the phases of coagulation, sedimentation and filtration of silica are involved. The effectiveness of lime and calcium chloride as coagulating agents has been investigated and the separating operations have been set out. Attention has been focused on Monte Amiata reinjection geothermal brines, whose scaling effect causes serious problems in the operation and maintenance of reinjection facilities. The study has been conducted using different amounts of added coagulants and at different temperatures, to determine optimal operating conditions. Though calcium chloride was revealed to be effective as a coagulant of the polymeric silica fraction, lime has also proved capable of removing monomeric dissolved silica at high dosages. Investigation on the behavior of coagulated brine has revealed the feasibility of separating the coagulated silica by sedimentation and filtration.

  4. Characterization of zirconia- and niobia-silica mixture coatings produced by ion-beam sputtering

    SciTech Connect (OSTI)

    Melninkaitis, Andrius; Tolenis, Tomas; Mazule, Lina; Mirauskas, Julius; Sirutkaitis, Valdas; Mangote, Benoit; Fu Xinghai; Zerrad, Myriam; Gallais, Laurent; Commandre, Mireille; Kicas, Simonas; Drazdys, Ramutis

    2011-03-20

    ZrO{sub 2}-SiO{sub 2} and Nb{sub 2}O{sub 5}-SiO{sub 2} mixture coatings as well as those of pure zirconia (ZrO{sub 2}), niobia (Nb{sub 2}O{sub 5}), and silica (SiO{sub 2}) deposited by ion-beam sputtering were investigated. Refractive-index dispersions, bandgaps, and volumetric fractions of materials in mixed coatings were analyzed from spectrophotometric data. Optical scattering, surface roughness, nanostructure, and optical resistance were also studied. Zirconia-silica mixtures experience the transition from crystalline to amorphous phase by increasing the content of SiO{sub 2}. This also results in reduced surface roughness. All niobia and silica coatings and their mixtures were amorphous. The obtained laser-induced damage thresholds in the subpicosecond range also correlates with respect to the silica content in both zirconia- and niobia-silica mixtures.

  5. DESIGN, SYNTHESIS AND STUDY OF MULTI-COMPONENT AND INTEGRATED SYSTEMS FOR LIGHT-DRIVEN HYDROGEN GENERATION

    SciTech Connect (OSTI)

    Professor Richard Eisenberg

    2012-07-18

    The research focussed on fundamental problems in the conversion of light to stored chemical energy. Specifically, work was completed on the design, synthesis and study of multi-component super- and supramolecular systems for photoinduced charge separation, one of the key steps in artificial photosynthesis, and on the use of these and related systems for the photochemical generation of H2 from water. At the center of these systems are chromophores comprised of square planar coordinated Pt(II) ions with arylacetylide and either diimine or terpyridyl ligands. Previous work had shown that the chromophores are photoluminescent in fluid solution with long-lived metal-to-ligand charge transfer (3MLCT) excited states that are necessarily directional. An advance which set the stage for a number of proposed studies was the light-driven production of hydrogen from water using a Pt(terpyridyl)(arylacetylide)+ chromophore and a sacrificial electron donor. The reaction is catalytic and appears to rival previously reported ruthenium bipyridyl systems in terms of H2 production. Variation of system components and mechanistic studies were conducted to understand better the individual steps in the overall process and how to improve its efficiency. Success with light driven H2 generation was employed as a key probe as new systems were constructed consisting of triads for photoinduced charge separation placed in close proximity to the H2 generating catalyst - a Pt colloid - through direct linkage or supramolecular interactions with the polymer used to stabilize the colloid. In order to prepare new donor-chromophore-acceptor (D-C-A) triads and associated D-C and C-A dyads, new ligands were synthesized having functional groups for different coupling reactions such as simple amide formation and Pd-catalyzed coupling. In these systems, the donor was attached to the arylacetylide ligands and the acceptor was linked to the diimine or terpyridyl chelate. Research under the contract proved successful in the development of synthetic methodologies to make multi-component systems designed so as to maintain electronic communication between components held in a defined spatial arrangement. Systems effective for light driven H2 generation were examined by photophysical methods including transient absorption spectroscopy to observe charge-separated states and chart their dynamics. Quantum yields for hydrogen production were also measured. Additional studies examined the effectiveness of these systems for H2 generation and involved the development of new catalysts and systems based thereon. From these studies, a better understanding of initial steps in the light driven generation of hydrogen were obtained.

  6. Inversion of multicomponent seismic data and rock-physics intepretation for evaluating lithology, fracture and fluid distribution in heterogeneous anisotropic reservoirs

    SciTech Connect (OSTI)

    Ilya Tsvankin; Kenneth L. Larner

    2004-11-17

    Within the framework of this collaborative project with the Lawrence Livermore National Laboratory (LLNL) and Stanford University, the Colorado School of Mines (CSM) group developed and implemented a new efficient approach to the inversion and processing of multicomponent, multiazimuth seismic data in anisotropic media. To avoid serious difficulties in the processing of mode-converted (PS) waves, we devised a methodology for transforming recorded PP- and PS-wavefields into the corresponding SS-wave reflection data that can be processed by velocity-analysis algorithms designed for pure (unconverted) modes. It should be emphasized that this procedure does not require knowledge of the velocity model and can be applied to data from arbitrarily anisotropic, heterogeneous media. The azimuthally varying reflection moveouts of the PP-waves and constructed SS-waves are then combined in anisotropic stacking-velocity tomography to estimate the velocity field in the depth domain. As illustrated by the case studies discussed in the report, migration of the multicomponent data with the obtained anisotropic velocity model yields a crisp image of the reservoir that is vastly superior to that produced by conventional methods. The scope of this research essentially amounts to building the foundation of 3D multicomponent, anisotropic seismology. We have also worked with the LLNL and Stanford groups on relating the anisotropic parameters obtained from seismic data to stress, lithology, and fluid distribution using a generalized theoretical treatment of fractured, poroelastic rocks.

  7. Mesoporous silica nanoparticles for biomedical and catalytical applications

    SciTech Connect (OSTI)

    Sun, Xiaoxing

    2011-05-15

    Mesoporous silica materials, discovered in 1992 by the Mobile Oil Corporation, have received considerable attention in the chemical industry due to their superior textual properties such as high surface area, large pore volume, tunable pore diameter, and narrow pore size distribution. Among those materials, MCM-41, referred to Mobile Composition of Matter NO. 41, contains honeycomb liked porous structure that is the most common mesoporous molecular sieve studied. Applications of MCM-41 type mesoporous silica material in biomedical field as well as catalytical field have been developed and discussed in this thesis. The unique features of mesoporous silica nanoparticles were utilized for the design of delivery system for multiple biomolecules as described in chapter 2. We loaded luciferin into the hexagonal channels of MSN and capped the pore ends with gold nanoparticles to prevent premature release. Luciferase was adsorbed onto the outer surface of the MSN. Both the MSN and the gold nanoparticles were protected by poly-ethylene glycol to minimize nonspecific interaction of luciferase and keep it from denaturating. Controlled release of luciferin was triggered within the cells and the enzymatic reaction was detected by a luminometer. Further developments by varying enzyme/substrate pairs may provide opportunities to control cell behavior and manipulate intracellular reactions. MSN was also served as a noble metal catalyst support due to its large surface area and its stability with active metals. We prepared MSN with pore diameter of 10 nm (LP10-MSN) which can facilitate mass transfer. And we successfully synthesized an organo silane, 2,2'-Bipyridine-amide-triethoxylsilane (Bpy-amide-TES). Then we were able to functionalize LP10-MSN with bipyridinyl group by both post-grafting method and co-condensation method. Future research of this material would be platinum complexation. This Pt (II) complex catalyst has been reported for a C-H bond activation reaction as an alternative of the traditional Friedel-Crafts reaction. And we will compare the turnover numbers of MSN supported material with homogenous catalyst to evaluate the catalytical efficiency of our material.

  8. Nanoporous silica-based protocells at multiple scales for designs of life and nanomedicine

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sun, Jie; Jakobsson, Eric; Wang, Yingxiao; Brinker, C. Jeffrey

    2015-01-19

    In this study, various protocell models have been constructed de novo with the bottom-up approach. Here we describe a silica-based protocell composed of a nanoporous amorphous silica core encapsulated within a lipid bilayer built by self-assembly that provides for independent definition of cell interior and the surface membrane. In this review, we will first describe the essential features of this architecture and then summarize the current development of silica-based protocells at both micro- and nanoscale with diverse functionalities. As the structure of the silica is relatively static, silica-core protocells do not have the ability to change shape, but their interiormore » structure provides a highly crowded and, in some cases, authentic scaffold upon which biomolecular components and systems could be reconstituted. In basic research, the larger protocells based on precise silica replicas of cells could be developed into geometrically realistic bioreactor platforms to enable cellular functions like coupled biochemical reactions, while in translational research smaller protocells based on mesoporous silica nanoparticles are being developed for targeted nanomedicine. Ultimately we see two different motivations for protocell research and development: (1) to emulate life in order to understand it; and (2) to use biomimicry to engineer desired cellular interactions.« less

  9. Encapsulated in silica: genome, proteome and physiology of the thermophilic bacterium Anoxybacillus flavithermus

    SciTech Connect (OSTI)

    Saw, Jimmy H; Mountain, Bruce W; Feng, Lu; Omelchenko, Marina V; Saito, Jennifer A; Stott, Matthew B; Li, Dan; Zhao, Guang; Wu, Junli; Galperin, Michael Y; Dunfield, Peter F; Wang, Lei; Alam, Maqsudul

    2008-01-01

    Gram-positive bacteria of the genus Anoxybacillus have been found in diverse thermophilic habitats, such as geothermal hot springs and manure, and in processed foods such as gelatin and milk powder. Anoxybacillus flavithermus is a facultatively anaerobic bacterium found in super-saturated silica solutions and in opaline silica sinter. The ability of A. flavithermus to grow in super-saturated silica solutions makes it an ideal subject to study the processes of sinter formation, which might be similar to the biomineralization processes that occurred at the dawn of life. We report here the complete genome sequence of A. flavithermus strain WK1, isolated from the waste water drain at the Wairakei geothermal power station in New Zealand. It consists of a single chromosome of 2,846,746 base pairs and is predicted to encode 2,863 proteins. In silico genome analysis identified several enzymes that could be involved in silica adaptation and biofilm formation, and their predicted functions were experimentally validated in vitro. Proteomic analysis confirmed the regulation of biofilm-related proteins and crucial enzymes for the synthesis of long-chain polyamines as constituents of silica nanospheres. Microbial fossils preserved in silica and silica sinters are excellent objects for studying ancient life, a new paleobiological frontier. An integrated analysis of the A. flavithermus genome and proteome provides the first glimpse of metabolic adaptation during silicification and sinter formation. Comparative genome analysis suggests an extensive gene loss in the Anoxybacillus/Geobacillus branch after its divergence from other bacilli.

  10. Nanoporous silica-based protocells at multiple scales for designs of life and nanomedicine

    SciTech Connect (OSTI)

    Sun, Jie; Jakobsson, Eric; Wang, Yingxiao; Brinker, C. Jeffrey

    2015-01-19

    In this study, various protocell models have been constructed de novo with the bottom-up approach. Here we describe a silica-based protocell composed of a nanoporous amorphous silica core encapsulated within a lipid bilayer built by self-assembly that provides for independent definition of cell interior and the surface membrane. In this review, we will first describe the essential features of this architecture and then summarize the current development of silica-based protocells at both micro- and nanoscale with diverse functionalities. As the structure of the silica is relatively static, silica-core protocells do not have the ability to change shape, but their interior structure provides a highly crowded and, in some cases, authentic scaffold upon which biomolecular components and systems could be reconstituted. In basic research, the larger protocells based on precise silica replicas of cells could be developed into geometrically realistic bioreactor platforms to enable cellular functions like coupled biochemical reactions, while in translational research smaller protocells based on mesoporous silica nanoparticles are being developed for targeted nanomedicine. Ultimately we see two different motivations for protocell research and development: (1) to emulate life in order to understand it; and (2) to use biomimicry to engineer desired cellular interactions.

  11. Synthesis of superparamagnetic silica-coated magnetite nanoparticles for biomedical applications

    SciTech Connect (OSTI)

    Kaur, Navjot Chudasama, Bhupendra

    2015-05-15

    Multifunctional superparamagnetic iron oxide nanoparticles (SPIONs) coated with silica are widely researched for biomedical applications such as magnetic resonance imaging, tissue repair, cell separation, hyperthermia, drug delivery, etc. In this article synthesis of magnetite (Fe{sub 3}O{sub 4}) nanoparticles and their coating with SiO{sub 2} is reported. Fe{sub 3}O{sub 4} nanoparticles were synthesized by chemical co-precipitation and it was coated with silica by hydrolysis and condensation of tetraethylorthosilicate. XRD, FTIR, TEM and VSM techniques were used to characterize bare and coated nanoparticles. Results indicated that the average size of SPIONS was 8.4?nm. X-ray diffraction patterns of silica coated SPIONS were identical to that of SPIONS confirming the inner spinal structure of SPIONS. FTIR results confirmed the binding of silica with the magnetite and the formation of the silica shell around the magnetite core. Magnetic properties of SPIONS and silica coated SPIONS are determined by VSM. They are superparamagnetic. The major conclusion drawn from this study is that the synthesis route yields stable, non-aggregated magnetite-silica core-shell nanostructures with tailored morphology and excellent magnetic properties.

  12. Non-blinking single-photon emitters in silica

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Rabouw, Freddy T.; Cogan, Nicole M. B.; Berends, Anne C.; Stam, Ward van der; Vanmaekelbergh, Daniel; Koenderink, A. Femius; Krauss, Todd D.; Donega, Celso de Mello

    2016-02-19

    Samples for single-emitter spectroscopy are usually prepared by spin-coating a dilute solution of emitters on a microscope cover slip of silicate based glass (such as quartz). Here, we show that both borosilicate glass and quartz contain intrinsic defect colour centres that fluoresce when excited at 532 nm. In a microscope image the defect emission is indistinguishable from spin-coated emitters. The emission spectrum is characterised by multiple peaks with the main peak between 2.05 and 2.20 eV, most likely due to coupling to a silica vibration with an energy that varies between 160 and 180 meV. The defects are single-photon emitters,more » do not blink, and have photoluminescence lifetimes of a few nanoseconds. Furthermore, photoluminescence from such defects may previously have been misinterpreted as originating from single nanocrystal quantum dots.« less

  13. Influence of lithium hydroxide on alkali-silica reaction

    SciTech Connect (OSTI)

    Bulteel, D.; Garcia-Diaz, E.; Degrugilliers, P.

    2010-04-15

    Several papers show that the use of lithium limits the development of alkali-silica reaction (ASR) in concrete. The aim of this study is to improve the understanding of lithium's role on the alteration mechanism of ASR. The approach used is a chemical method which allowed a quantitative measurement of the specific degree of reaction of ASR. The chemical concrete sub-system used, called model reactor, is composed of the main ASR reagents: reactive aggregate, portlandite and alkaline solution. Different reaction degrees are measured and compared for different alkaline solutions: NaOH, KOH and LiOH. Alteration by ASR is observed with the same reaction degrees in the presence of NaOH and KOH, accompanied by the consumption of hydroxyl concentration. On the other hand with LiOH, ASR is very limited. Reaction degree values evolve little and the hydroxyl concentration remains about stable. These observations demonstrate that lithium ions have an inhibitor role on ASR.

  14. Sealed, nozzle-mix burners for silica deposition

    DOE Patents [OSTI]

    Adler, Meryle D. M.; Brown, John T.; Misra, Mahendra K.

    2003-07-08

    Burners (40) for producing fused silica boules are provided. The burners employ a tube-in-tube (301-306) design with flats (56, 50) on some of the tubes (305, 301) being used to limit the cross-sectional area of certain passages (206, 202) within the burner and/or to atomize a silicon-containing, liquid source material, such as OMCTS. To avoid the possibility of flashback, the burner has separate passages for fuel (205) and oxygen (204, 206), i.e., the burner employs nozzle mixing, rather than premixing, of the fuel and oxygen. The burners are installed in burner holes (26) formed in the crown (20) of a furnace and form a seal with those holes so that ambient air cannot be entrained into the furnace through the holes. An external air cooled jacket (60) can be used to hold the temperature of the burner below a prescribed upper limit, e.g., 400.degree. C.

  15. Mesoporous Silica-Supported Amidozirconium-Catalyzed Carbonyl Hydroboration

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Eedugurala, Naresh; Wang, Zhuoran; Chaudhary, Umesh; Nelson, Nicholas; Kandel, Kapil; Kobayashi, Takeshi; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.

    2015-11-04

    The hydroboration of aldehydes and ketones using a silica-supported zirconium catalyst is reported. Reaction of Zr(NMe2)4 and mesoporous silica nanoparticles (MSN) provides the catalytic material Zr(NMe2)n@MSN. Exhaustive characterization of Zr(NMe2)n@MSN with solid-state (SS)NMR and infrared spectroscopy, as well as through reactivity studies, suggests its surface structure is primarily ≡SiOZr(NMe2)3. The presence of these nitrogen-containing zirconium sites is supported by 15N NMR spectroscopy, including natural abundance 15N NMR measurements using dynamic nuclear polarization (DNP) SSNMR. The Zr(NMe2)n@MSN material reacts with pinacolborane (HBpin) to provide Me2NBpin and the material ZrH/Bpin@MSN that is composed of interacting surface-bonded zirconium hydride and surface-bonded borane ≡SiOBpinmore » moieties in an approximately 1:1 ratio, as well as zirconium sites coordinated by dimethylamine. The ZrH/Bpin@MSN is characterized by 1H/2H and 11B SSNMR and infrared spectroscopy and through its reactivity with D2. The zirconium hydride material or the zirconium amide precursor Zr(NMe2)n@MSN catalyzes the selective hydroboration of aldehydes and ketones with HBpin in the presence of functional groups that are often reduced under hydroboration conditions or are sensitive to metal hydrides, including olefins, alkynes, nitro groups, halides, and ethers. Remarkably, this catalytic material may be recycled without loss of activity at least eight times, and air-exposed materials are catalytically active. These supported zirconium centers are robust catalytic sites for carbonyl reduction and that surface-supported, catalytically reactive zirconium hydride may be generated from zirconium-amide or zirconium alkoxide sites.« less

  16. Does elevated CO2 alter silica uptake in trees?

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Fulweiler, Robinson W.; Maguire, Timothy J.; Carey, Joanna C.; Finzi, Adrien C.

    2015-01-13

    Human activities have greatly altered global carbon (C) and Nitrogen (N) cycling. In fact, atmospheric concentrations of carbon dioxide (CO2) have increased 40% over the last century and the amount of N cycling in the biosphere has more than doubled. In an effort to understand how plants will respond to continued global CO2 fertilization, longterm free-air CO2 enrichment experiments have been conducted at sites around the globe. Here we examine how atmospheric CO2 enrichment and N fertilization affects the uptake of silicon (Si) in the Duke Forest, North Carolina, a stand dominated by Pinus taeda (loblolly pine), and five hardwoodmore » species. Specifically, we measured foliar biogenic silica concentrations in five deciduous and one coniferous species across three treatments: CO2 enrichment, N enrichment, and N and CO2 enrichment. We found no consistent trends in foliar Si concentration under elevated CO2, N fertilization, or combined elevated CO2 and N fertilization. However, two-thirds of the tree species studied here have Si foliar concentrations greater than well-known Si accumulators, such as grasses. Based on net primary production values and aboveground Si concentrations in these trees, we calculated forest Si uptake rates under control and elevated CO2 concentrations. Due largely to increased primary production, elevated CO2 enhanced the magnitude of Si uptake between 20 and 26%, likely intensifying the terrestrial silica pump. This uptake of Si by forests has important implications for Si export from terrestrial systems, with the potential to impact C sequestration and higher trophic levels in downstream ecosystems.« less

  17. Studies of Immobilized Homogeneous Metal Catalysts on Silica Supports

    SciTech Connect (OSTI)

    Keith James Stanger

    2003-05-31

    The tethered, chiral, chelating diphosphine rhodium complex, which catalyzes the enantioselective hydrogenation of methyl-{alpha}-acetamidocinnamate (MAC), has the illustrated structure as established by {sup 31}P NMR and IR studies. Spectral and catalytic investigations also suggest that the mechanism of action of the tethered complex is the same as that of the untethered complex in solution. The rhodium complexes, [Rh(COD)H]{sub 4}, [Rh(COD){sub 2}]{sup +}BF{sub 4}{sup -}, [Rh(COD)Cl]{sub 2}, and RhCl{sub 3} {center_dot} 3H{sub 2}O, adsorbed on SiO{sub 2} are optimally activated for toluene hydrogenation by pretreatment with H{sub 2} at 200 C. The same complexes on Pd-SiO{sub 2} are equally active without pretreatments. The active species in all cases is rhodium metal. The catalysts were characterized by XPS, TEM, DRIFTS, and mercury poisoning experiments. Rhodium on silica catalyzes the hydrogenation of fluorobenzene to produce predominantly fluorocyclohexane in heptane and 1,2-dichloroethane solvents. In heptane/methanol and heptane/water solvents, hydrodefluorination to benzene and subsequent hydrogenation to cyclohexane occurs exclusively. Benzene inhibits the hydrodefluorination of fluorobenzene. In DCE or heptane solvents, fluorocyclohexane reacts with hydrogen fluoride to form cyclohexene. Reaction conditions can be chosen to selectively yield fluorocyclohexane, cyclohexene, benzene, or cyclohexane. The oxorhenium(V) dithiolate catalyst [-S(CH{sub 2}){sub 3}s-]Re(O)(Me)(PPh{sub 3}) was modified by linking it to a tether that could be attached to a silica support. Spectroscopic investigation and catalytic oxidation reactivity showed the heterogenized catalyst's structure and reactivity to be similar to its homogeneous analog. However, the immobilized catalyst offered additional advantages of recyclability, extended stability, and increased resistance to deactivation.

  18. Titania-Activated Silica System for Emission Control | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Titania-Activated Silica System for Emission Control Titania-Activated Silica System for Emission Control Silica-Titania Composite (STC) Technology Safely and Cost-Effectively Removes Mercury from End-Box Exhaust in Chlor-Alkali Facilities The chlor-alkali industry produces valuable chemicals such as chlorine, hydrogen, and caustic soda. In 2001, between 150 and 200 chlor-alkali facilities throughout the world used the mercury-cell process. Although this process uses the mercury in a closed-loop

  19. Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dyanmics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lane, J. Matthew D.

    2015-07-22

    We have conducted extremely long molecular dynamics simulations of glasses to microsecond times, which close the gap between experimental and atomistic simulation time scales by two to three orders of magnitude. The static, thermal, and structural properties of silica glass are reported for glass cooling rates down to 5×109 K/s and viscoelastic response in silica melts and glasses are studied over nine decades of time. We finally present results from relaxation of hydrostatic compressive stress in silica and show that time-temperature superposition holds in these systems for temperatures from 3500 to 1000 K.

  20. Comprehensive Study of the Impact of Steam on Polyethyleneimine on Silica

    Office of Scientific and Technical Information (OSTI)

    for CO{sub 2} Capture (Journal Article) | SciTech Connect Comprehensive Study of the Impact of Steam on Polyethyleneimine on Silica for CO{sub 2} Capture Citation Details In-Document Search Title: Comprehensive Study of the Impact of Steam on Polyethyleneimine on Silica for CO{sub 2} Capture An amine sorbent, prepared by impregnation of polyethyleneimine on silica, was tested for steam stability. The stability of the sorbent was investigated in a fixed bed reactor using multiple steam cycles

  1. Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dyanmics

    SciTech Connect (OSTI)

    Lane, J. Matthew D.

    2015-07-22

    We have conducted extremely long molecular dynamics simulations of glasses to microsecond times, which close the gap between experimental and atomistic simulation time scales by two to three orders of magnitude. The static, thermal, and structural properties of silica glass are reported for glass cooling rates down to 5×109 K/s and viscoelastic response in silica melts and glasses are studied over nine decades of time. We finally present results from relaxation of hydrostatic compressive stress in silica and show that time-temperature superposition holds in these systems for temperatures from 3500 to 1000 K.

  2. Crystallized alkali-silica gel in concrete from the late 1890s

    SciTech Connect (OSTI)

    Peterson, Karl . E-mail: cee@mtu.edu; Gress, David . E-mail: dlgress@unh.edu; Van Dam, Tom . E-mail: cee@mtu.edu; Sutter, Lawrence . E-mail: cee@mtu.edu

    2006-08-15

    The Elon Farnsworth Battery, a concrete structure completed in 1898, is in an advanced state of disrepair. To investigate the potential for rehabilitation, cores were extracted from the battery. Petrographic examination revealed abundant deposits of alkali silica reaction products in cracks associated with the quartz rich metasedimentary coarse aggregate. The products of the alkali silica reaction are variable in composition and morphology, including both amorphous and crystalline phases. The crystalline alkali silica reaction products are characterized by quantitative X-ray energy dispersive spectrometry (EDX) and X-ray diffraction (XRD). The broad extent of the reactivity is likely due to elevated alkali levels in the cements used.

  3. Synthesis of silica coated zinc oxide-poly(ethylene-co-acrylic...

    Office of Scientific and Technical Information (OSTI)

    silica shell was made on ZnO nanoparticles. * PEAA, an interfacial agent is used to make nanocomposite-polymer matrix by twin-screw extruder. * Si-ZnOPEAA matrix is highly ...

  4. Suitability of Silica Gel to Process INEEL Sodium Bearing Waste - Letter Report

    SciTech Connect (OSTI)

    Kirkham, Robert John; Herbst, Alan Keith

    2000-09-01

    The suitability of using the silica gel process for Idaho National Engineering and Environmental Laboratory (INEEL) sodium bearing waste was investigated during fiscal year 2000. The study was co-funded by the Tanks Focus Area as part of TTP No. ID-77WT-31 and the High Level Waste Program. The task also included the investigation of possible other absorbents. Scoping tests and examination of past work showed that the silica gel absorption/adsorption and drying method was the most promising; thus only silica gel was studied and not other absorbents. The documentation on the Russian silica gel process provided much of the needed information but did not provide some of the processing detail so these facts had to be inferred or gleaned from the literature.

  5. Method for inhibiting silica precipitation and scaling in geothermal flow systems

    DOE Patents [OSTI]

    Harrar, J.E.; Lorensen, L.E.; Locke, F.E.

    1980-06-13

    A method for inhibiting silica scaling and precipitation in geothermal flow systems by on-line injection of low concentrations of cationic nitrogen-containing compounds, particularly polymeric imines, polymeric amines, and quaternary ammonium compounds is described.

  6. Method for inhibiting silica precipitation and scaling in geothermal flow systems

    DOE Patents [OSTI]

    Harrar, Jackson E.; Lorensen, Lyman E.; Locke, Frank E.

    1982-01-01

    A method for inhibiting silica scaling and precipitation in geothermal flow systems by on-line injection of low concentrations of cationic nitrogen-containing compounds, particularly polymeric imines, polymeric amines, and quaternary ammonium compounds.

  7. Petrography study of two siliceous limestones submitted to alkali-silica reaction

    SciTech Connect (OSTI)

    Monnin, Y. . E-mail: monnin@ensm-douai.fr; Degrugilliers, P.; Bulteel, D.; Garcia-Diaz, E.

    2006-08-15

    This study presents the contribution of petrography to the comprehension of the alkali-silica reaction mechanism applied to two siliceous limestones. A petrography study was made on the two aggregates before reaction to define their relative proportions and types of reactive silica and to observe their distribution in the microstructure. Then a model reactor, constituted by the reactive siliceous limestone aggregate, portlandite and NaOH, was used to measure the swelling due to reaction of the silica with alkalis and the free expansion of the aggregates. The volume evolution between both aggregates was very different and could be explained by the preliminary petrographic study. It appears that the swelling of the aggregates is conditioned by the microstructure of the carbonated matrix, the quantity and the distribution of the reactive silica.

  8. Oxidative alteration of spent fuel in a silica-rich environment: SEM/AEM

    Office of Scientific and Technical Information (OSTI)

    investigation and geochemical modeling (Conference) | SciTech Connect Oxidative alteration of spent fuel in a silica-rich environment: SEM/AEM investigation and geochemical modeling Citation Details In-Document Search Title: Oxidative alteration of spent fuel in a silica-rich environment: SEM/AEM investigation and geochemical modeling Correctly identifying the possible alteration products and accurately predicting their occurrence in a repository-relevant environment are the key for the

  9. Luminescent studies of fluorescent chromophore-doped silica aerogels for flat panel display applications

    SciTech Connect (OSTI)

    Glauser, S.A.C. [California Univ., Davis, CA (United States). Dept. of Applied Science; Lee, H.W.H. [Lawrence Livermore National Lab., CA (United States)

    1997-04-01

    The remarkable optical and electronic properties of doped and undoped silica aerogels establish their utility as unique, mulitfunctional host materials for fluorescent dyes and other luminescent materials for display and imaging applications. We present results on the photoluminescence, absorption, and photoluminescence excitation spectra of undoped silica aerogels and aerogels doped with Er{sup 3+}, rhodamine 6G (R6G), and fluorescein. 4 refs., 12 figs.

  10. Effect of Bubbles and Silica Dissolution on Melter Feed Rheology during

    Office of Scientific and Technical Information (OSTI)

    Conversion to Glass (Journal Article) | SciTech Connect Journal Article: Effect of Bubbles and Silica Dissolution on Melter Feed Rheology during Conversion to Glass Citation Details In-Document Search Title: Effect of Bubbles and Silica Dissolution on Melter Feed Rheology during Conversion to Glass As the nuclear waste glass melter feed is converted to molten glass, the feed becomes a continuous glass-forming melt where dissolving refractory constituents are suspended together with numerous

  11. Particle Restabilization in Silica/PEG/Ethanol Suspensions: How Strongly do

    Office of Scientific and Technical Information (OSTI)

    Polymers Need To Adsorb To Stabilize Against Aggregation? (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Particle Restabilization in Silica/PEG/Ethanol Suspensions: How Strongly do Polymers Need To Adsorb To Stabilize Against Aggregation? Citation Details In-Document Search Title: Particle Restabilization in Silica/PEG/Ethanol Suspensions: How Strongly do Polymers Need To Adsorb To Stabilize Against Aggregation? We study the effects of increasing the

  12. "Multifunctional Mesoporous Silica Catalyst" Patent Awarded | The Ames

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Laboratory "Multifunctional Mesoporous Silica Catalyst" Patent Awarded Congratulations to the late Victor Lin, Show-Ling Lee, Chih-Hsiang Tsai, Hung-Ting Chen, Marek Pruski and Takeshi Kobayashi for being awarded a patent on "Multifunctional Mesoporous Silica Catalyst", issued on March 31, 2015. U.S. Patent No. 8,993,793 can be viewed on the U.S. Patent and Trademark Office website.

  13. The Effect of Foaming and Silica Dissolution on Melter Feed Rheology during

    Office of Scientific and Technical Information (OSTI)

    Conversion to Glass (Conference) | SciTech Connect Conference: The Effect of Foaming and Silica Dissolution on Melter Feed Rheology during Conversion to Glass Citation Details In-Document Search Title: The Effect of Foaming and Silica Dissolution on Melter Feed Rheology during Conversion to Glass As the nuclear waste glass melter feed is converted to molten glass, the feed eventually becomes a continuous glass-forming melt in which dissolving refractory constituents are suspended together

  14. Mathematical modeling of silica deposition in Tongonan-I reinjection wells, Philippines

    SciTech Connect (OSTI)

    Malate, R.C.M.; O`Sullivan, M.J.

    1993-10-01

    Mathematical models of silica deposition are derived using the method of characteristics for the problem of variable rate injection into a well producing radially symmetric flow. Solutions are developed using the first order rate equation of silica deposition suggested by Rimstidt and Barnes (1980). The changes in porosity and permeability resulting from deposition are included in the models. The models developed are successfully applied in simulating the changes in injection capacity in some of the reinjection wells in Tongonan geothermal field, Philippines.

  15. Mesoporous Silica-Supported Amidozirconium-Catalyzed Carbonyl Hydroboration

    SciTech Connect (OSTI)

    Eedugurala, Naresh; Wang, Zhuoran; Chaudhary, Umesh; Nelson, Nicholas; Kandel, Kapil; Kobayashi, Takeshi; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.

    2015-11-04

    The hydroboration of aldehydes and ketones using a silica-supported zirconium catalyst is reported. Reaction of Zr(NMe2)4 and mesoporous silica nanoparticles (MSN) provides the catalytic material Zr(NMe2)n@MSN. Exhaustive characterization of Zr(NMe2)n@MSN with solid-state (SS)NMR and infrared spectroscopy, as well as through reactivity studies, suggests its surface structure is primarily ≡SiOZr(NMe2)3. The presence of these nitrogen-containing zirconium sites is supported by 15N NMR spectroscopy, including natural abundance 15N NMR measurements using dynamic nuclear polarization (DNP) SSNMR. The Zr(NMe2)n@MSN material reacts with pinacolborane (HBpin) to provide Me2NBpin and the material ZrH/Bpin@MSN that is composed of interacting surface-bonded zirconium hydride and surface-bonded borane ≡SiOBpin moieties in an approximately 1:1 ratio, as well as zirconium sites coordinated by dimethylamine. The ZrH/Bpin@MSN is characterized by 1H/2H and 11B SSNMR and infrared spectroscopy and through its reactivity with D2. The zirconium hydride material or the zirconium amide precursor Zr(NMe2)n@MSN catalyzes the selective hydroboration of aldehydes and ketones with HBpin in the presence of functional groups that are often reduced under hydroboration conditions or are sensitive to metal hydrides, including olefins, alkynes, nitro groups, halides, and ethers. Remarkably, this catalytic material may be recycled without loss of activity at least eight times, and air-exposed materials are catalytically active. These supported zirconium centers are robust catalytic sites for carbonyl reduction and that surface-supported, catalytically reactive zirconium hydride may be generated from zirconium-amide or zirconium alkoxide sites.

  16. Controllable synthesis of hollow mesoporous silica spheres and application as support of nano-gold

    SciTech Connect (OSTI)

    Wang, Tao; Ma, Weihua Shangguan, Junnan; Jiang, Wei; Zhong, Qin

    2014-07-01

    Hollow silica spheres with mesoporous structure were synthesized by sol–gel/emulsion method. In the process, the surfactant, cetyltrimethylammonium bromide (CTAB) was used to stabilize the oil droplet and also used as structure direct agent. The diameter of the hollow silica spheres, ranging from 895 nm to 157 nm, can be controlled by changing the ratio of ethanol to water and the concentration of the surfactant as well. The shell thickness of the spheres decreased when the ratio of ethanol to water decreased. The proposed mechanism of the formation of silica spheres could elucidate the experimental results well. Furthermore, the resultant hollow mesoporous silica spheres were then employed as support of nano-gold which was used to catalyze the isomerization reaction of propylene oxide to produce allyl alcohol. - Graphical abstract: It is the schematic mechanism for the formation of hollow mesoporous silica spheres. - Highlights: • The formation mechanism of the hollow spheres is proposed. • The isomerization of propylene oxide can be catalyzed by the nano-gold/SiO{sub 2}. • The hollow silica spheres can be prepared controllably.

  17. Swimming motility reduces Azotobacter vinelandii deposition to silica surfaces

    SciTech Connect (OSTI)

    Lu, Nanxi; Massoudieh, Arash; Liang, Xiaomeng; Hu, Dehong; Kamai, Tamir; Ginn, Timothy R.; Zilles, Julie L.; Nguyen, Thanh H.

    2015-09-16

    The role of swimming motility on bacterial transport and fate in porous media was evaluated. We present microscopic evidence showing that strong swimming motility reduces attachment of Azotobacter vinelandii cells to silica surfaces. Applying global and cluster statistical analyses to microscopic videos taken under non-flow conditions, wild type, flagellated A. vinelandii strain DJ showed strong swimming ability with an average speed of 13.1 ?m/s, DJ77 showed impaired swimming averaged at 8.7 ?m/s, and both the non-flagellated JZ52 and chemically treated DJ cells were non-motile. Quantitative analyses of trajectories observed at different distances above the collector of a radial stagnation point flow cell (RSPF) revealed that both swimming and non-swimming cells moved with the flow when at a distance of at least 20 ?m from the collector surface. Near the surface, DJ cells showed both horizontal and vertical movement diverging them from reaching surfaces, while chemically treated DJ cells moved with the flow to reach surfaces, suggesting that strong swimming reduced attachment. In agreement with the RSPF results, the deposition rates obtained for two-dimensional multiple-collector micromodels were also lowest for DJ, while DJ77 and JZ52 showed similar values. Strong swimming specifically reduced deposition on the upstream surfaces of the micromodel collectors.

  18. Implantation conditions for diamond nanocrystal formation in amorphous silica

    SciTech Connect (OSTI)

    Buljan, Maja; Radovic, Iva Bogdanovic; Desnica, Uros V.; Ivanda, Mile; Jaksic, Milko; Saguy, Cecile; Kalish, Rafi; Djerdj, Igor; Tonejc, Andelka; Gamulin, Ozren

    2008-08-01

    We present a study of carbon ion implantation in amorphous silica, which, followed by annealing in a hydrogen-rich environment, leads to preferential formation of carbon nanocrystals with cubic diamond (c-diamond), face-centered cubic (n-diamond), or simple cubic (i-carbon) carbon crystal lattices. Two different annealing treatments were used: furnace annealing for 1 h and rapid thermal annealing for a brief period, which enables monitoring of early nucleation events. The influence of implanted dose and annealing type on carbon and hydrogen concentrations, clustering, and bonding were investigated. Rutherford backscattering, elastic recoil detection analysis, infrared spectroscopy, transmission electron microscopy, selected area electron diffraction, ultraviolet-visible absorption measurements, and Raman spectroscopy were used to study these carbon formations. These results, combined with the results of previous investigations on similar systems, show that preferential formation of different carbon phases (diamond, n-diamond, or i-carbon) depends on implantation energy, implantation dose, and annealing conditions. Diamond nanocrystals formed at a relatively low carbon volume density are achieved by deeper implantation and/or lower implanted dose. Higher volume densities led to n-diamond and finally to i-carbon crystal formation. This observed behavior is related to damage sites induced by implantation. The optical properties of different carbon nanocrystal phases were significantly different.

  19. A New Improved Na-K Geothermometer By Artificial Neural Networks...

    Open Energy Info (EERE)

    567-577), Truesdell (1975; Proc. 2nd UN Symposium), Tonani (1980; Proc. Adv. Eur. Geoth. Research, 2nd Symposium), Fournier (1979a; J. Volcanol. Geotherm. Res. 5, 1-16), Nieva and...

  20. An Empirical Na-K-Ca Geothermometer For Natural Waters | Open...

    Open Energy Info (EERE)

    temperature environments ranging from 4 to 340C. The data for most geothermal waters cluster near a straight line when plotted as the function vs reciprocal of absolute...

  1. Ligand-tailored single-site silica supported titanium catalysts: Synthesis, characterization and towards cyanosilylation reaction

    SciTech Connect (OSTI)

    Xu, Wei; Li, Yani; Yu, Bo; Yang, Jindou; Zhang, Ying; Chen, Xi; Zhang, Guofang Gao, Ziwei

    2015-01-15

    A successive anchoring of Ti(NMe{sub 2}){sub 4}, cyclopentadiene and a O-donor ligand, 1-hydroxyethylbenzene (PEA), 1,1′-bi-2-naphthol (Binol) or 2,3-dihydroxybutanedioic acid diethyl ester (Tartrate), on silica was conducted by SOMC strategy in moderate conditions. The silica, monitored by in-situ Fourier transform infrared spectroscopy (in-situ FT-IR), was pretreated at different temperatures (200, 500 and 800 °C). The ligand tailored silica-supported titanium complexes were characterized by in-situ FT-IR, {sup 13}C CP MAS-NMR, X-ray photoelectron spectroscopy (XPS), X-ray absorption near edge structure (XANES) and elemental analysis in detail, verifying that the surface titanium species are single sited. The catalytic activity of the ligand tailored single-site silica supported titanium complexes was evaluated by a cyanosilylation of benzaldehyde. The results showed that the catalytic activity is dependent strongly on the dehydroxylation temperatures of silica and the configuration of the ligands. - Graphical abstract: The ligand-tailored silica supported “single site” titanium complexes were synthesized by SOMC strategy and fully characterized. Their catalytic activity were evaluated by benzaldehyde silylcyanation. - Highlights: • Single-site silica supported Ti active species was prepared by SOMC technique. • O-donor ligand tailored Ti surface species was synthesized. • The surface species was characterized by XPS, {sup 13}C CP-MAS NMR, XANES etc. • Catalytic activity of the Ti active species in silylcyanation reaction was evaluated.

  2. Solidification of Acidic, High Nitrate Nuclear Wastes by Grouting or Absorption on Silica Gel

    SciTech Connect (OSTI)

    A. K. Herbst; S. V. Raman; R. J. Kirkham

    2004-01-01

    The use of grout and silica gel were explored for the solidification of four types of acidic, high nitrate radioactive wastes. Two methods of grouting were tested: direct grouting and pre-neutralization. Two methods of absorption on silica gel were also tested: direct absorption and rotary spray drying. The waste simulant acidity varied between 1 N and 12 N. The waste simulant was neutralized by pre-blending calcium hydroxide with Portland cement and blast furnace slag powders prior to mixing with the simulant for grout solidification. Liquid sodium hydroxide was used to partially neutralize the simulant to a pH above 2 and then it was absorbed for silica gel solidification. Formulations for each of these methods are presented along with waste form characteristics and properties. Compositional variation maps for grout formulations are presented which help determine the optimum "recipe" for a particular waste stream. These maps provide a method to determine the proportions of waste, calcium hydroxide, Portland cement, and blast furnace slag that provide a waste form that meets the disposal acceptance criteria. The maps guide researchers in selecting areas to study and provide an operational envelop that produces acceptable waste forms. The grouts both solidify and stabilize the wastes, while absorption on silica gel produces a solid waste that will not pass standard leaching procedures (TCLP) if required. Silica gel wastes can be made to pass most leach tests if heated to 600C.

  3. Thickness controlled sol-gel silica films for plasmonic bio-sensing devices

    SciTech Connect (OSTI)

    Figus, Cristiana Quochi, Francesco Artizzu, Flavia Saba, Michele Marongiu, Daniela Mura, Andrea; Bongiovanni, Giovanni; Floris, Francesco; Marabelli, Franco; Patrini, Maddalena; Fornasari, Lucia; Pellacani, Paola; Valsesia, Andrea

    2014-10-21

    Plasmonics has recently received considerable interest due to its potentiality in many fields as well as in nanobio-technology applications. In this regard, various strategies are required for modifying the surfaces of plasmonic nanostructures and to control their optical properties in view of interesting application such as bio-sensing, We report a simple method for depositing silica layers of controlled thickness on planar plasmonic structures. Tetraethoxysilane (TEOS) was used as silica precursor. The control of the silica layer thickness was obtained by optimizing the sol-gel method and dip-coating technique, in particular by properly tuning different parameters such as pH, solvent concentration, and withdrawal speed. The resulting films were characterized via atomic force microscopy (AFM), Fourier-transform (FT) spectroscopy, and spectroscopic ellipsometry (SE). Furthermore, by performing the analysis of surface plasmon resonances before and after the coating of the nanostructures, it was observed that the position of the resonance structures could be properly shifted by finely controlling the silica layer thickness. The effect of silica coating was assessed also in view of sensing applications, due to important advantages, such as surface protection of the plasmonic structure.

  4. Synthesis of palladium-doped silica nanofibers by sol-gel reaction and electrospinning process

    SciTech Connect (OSTI)

    San, Thiam Hui; Daud, Wan Ramli Wan; Kadhum, Abdul Amir Hassan; Mohamad, Abu Bakar; Kamarudin, Siti Kartom; Shyuan, Loh Kee; Majlan, Edy Herianto [Fuel Cell Institute, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia); Fuel Cell Institute, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor, Malaysia and Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia); Fuel Cell Institute, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia)

    2012-06-29

    Nanofiber is drawing great attention nowadays with their high surface area per volume and flexibility in surface functionalities that make them favorable as a proton exchange membrane in fuel cell application. In this study, incorporation of palladium nanoparticles in silica nanofibers was prepared by combination of a tetraorthosilane (TEOS) sol-gel reaction with electrospinning process. This method can prevent the nanoparticles from aggregation by direct mixing of palladium nanoparticles in silica sol. The as-produced electrospun fibers were thermally treated to remove poly(vinyl pyrrolidone) (PVP) and condensation of silanol in silica framework. PVP is chosen as fiber shaping agent because of its insulting and capping properties for various metal nanoparticles. Scanning electron microscopy (SEM), energy dispersive spectrometer (EDS) and Fourier transform infrared spectroscopy (FTIR) were used to characterize the silica fibers and Pd nanoparticles on the fibers. Spun fibers with average diameter ranged from 100nm to 400nm were obtained at optimum operating condition and distribution of Pd nanoparticles on silica fibers was investigated.

  5. Self-Assembled Silica Nano-Composite Polymer Electrolytes: Synthesis, Rheology & Electrochemistry

    SciTech Connect (OSTI)

    Khan, Saad A.: Fedkiw Peter S.; Baker, Gregory L.

    2007-01-24

    The ultimate objectives of this research are to understand the principles underpinning nano-composite polymer electrolytes (CPEs) and facilitate development of novel CPEs that are low-cost, have high conductivities, large Li+ transference numbers, improved electrolyte-electrode interfacial stability, yield long cycle life, exhibit mechanical stability and are easily processable. Our approach is to use nanoparticulate silica fillers to formulate novel composite electrolytes consisting of surface-modified fumed silica nano-particles in polyethylene oxides (PEO) in the presence of lithium salts. We intend to design single-ion conducting silica nanoparticles which provide CPEs with high Li+ transference numbers. We also will develop low-Mw (molecular weight), high-Mw and crosslinked PEO electrolytes with tunable properties in terms of conductivity, transference number, interfacial stability, processability and mechanical strength

  6. SANS study of interaction of silica nanoparticles with BSA protein and their resultant structure

    SciTech Connect (OSTI)

    Yadav, Indresh, E-mail: vkaswal@barc.gov.in; Aswal, V. K., E-mail: vkaswal@barc.gov.in [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai-400085 (India); Kohlbrecher, J. [Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 PSI Villigen Switzerland (Switzerland)

    2014-04-24

    Small angle neutron scattering (SANS) has been carried out to study the interaction of anionic silica nanoparticles (88 ) with globular protein Bovine Serum Albumin (BSA) (M.W. 66.4 kD) in aqueous solution. The measurements have been carried out on fixed concentration (1 wt %) of Ludox silica nanoparticles with varying concentration of BSA (05 wt %) at pH7. Results show that silica nanoparticles and BSA coexist as individual entities at low concentration of BSA where electrostatic repulsive interactions between them prevent their aggregation. However, as the concentration of BSA increases (? 0.5 wt %), it induces the attractive depletion interaction among nanoparticles leading to finally their aggregation at higher BSA concentration (2 wt %). The aggregates are found to be governed by the diffusion limited aggregation (DLA) morphology of fractal nature having fractal dimension about 2.4.

  7. Subcarbonyl species of molybdenum hexacarbonyl supported on silica: A DRIFT study

    SciTech Connect (OSTI)

    Kurhinen, M.; Venaelaeinen, T.; Pakkanen, T.A. )

    1994-10-06

    Subspecies of partially decarbonylated molybdenum hexacarbonyl supported on silica were studied by diffuse reflectance IR spectroscopy. Mo(CO)[sub 6]/SiO[sub 2] was prepared in a fluidized bed reactor by vapor-phase adsorption of molybdenum hexacarbonyl under nitrogen flow. Decarbonylation begins when Mo(CO)[sub 6] has adsorbed onto the silica. Dehydroxylation of the support during calcination facilitates the formation of subspecies of Mo(CO)[sub 6]. The activation energy needed for bond formation between a transition metal and silica and for decarbonylation is lower than the desorption energy of physisorbed Mo(CO)[sub 6], and this was seen in the IR spectra as a disappearance of bands due to subspecies. When the supported Mo(CO)[sub 6] was reheated the physisorption bands were the last to disappear from the IR spectra. 37 refs., 6 figs., 2 tabs.

  8. Moisture sensor based on evanescent wave light scattering by porous sol-gel silica coating

    DOE Patents [OSTI]

    Tao, Shiquan; Singh, Jagdish P.; Winstead, Christopher B.

    2006-05-02

    An optical fiber moisture sensor that can be used to sense moisture present in gas phase in a wide range of concentrations is provided, as well techniques for making the same. The present invention includes a method that utilizes the light scattering phenomenon which occurs in a porous sol-gel silica by coating an optical fiber core with such silica. Thus, a porous sol-gel silica polymer coated on an optical fiber core forms the transducer of an optical fiber moisture sensor according to an embodiment. The resulting optical fiber sensor of the present invention can be used in various applications, including to sense moisture content in indoor/outdoor air, soil, concrete, and low/high temperature gas streams.

  9. A comparison of mechanical properties and scaling law relationships for silica aerogels and their organic counterparts

    SciTech Connect (OSTI)

    Pekala, R.W.; Hrubesh, L.W.; Tillotson, T.M.; Alviso, C.T.; Poco, J.F.; LeMay, J.D.

    1990-08-01

    Aerogels are a special class of open-cell foams derived from the supercritical extraction of highly crosslinked, inorganic or organic gels. The resultant materials have ultrafine cell/pore sizes (< 100 nm), high surface areas (350--1000m{sup 2}/g), and a microstructure composed of interconnected colloidal-like particles or polymeric chains with characteristic diameters of 10 nm. TEM and SAXS show that this microstructure is sensitive to variations in processing conditions that influence crosslinking chemistry and growth processes prior to gelation. Traditional silica aerogels are prepared via the hydrolysis and condensation of tetramethoxy silane (TMOS) or tetraethoxy silane (TEOS). Factors such as pH and the (H{sub 2}O)/(TMOS) ratio affect the microstructure of the dried aerogel. It is generally accepted that polymeric' silica aerogels result from acid catalysis while colloidal'silica aerogels result from base catalysis. Recently, Hrubesh and Tillotson developed a new condensed silica' procedure for obtaining silica aerogels with densities as low as 0.004g/cc, i.e. only 3{times} the density of air. Organic aerogels are formed from the aqueous, polycondensation of (1) resorcinol/formaldehyde or (2) melamine/formaldehyde. The microstructure of the resorcinol-formaldehyde (RF) aerogels is dictated by the amount of base catalyst used in the sol-gel polymerization. In addition, these materials can be pyrolyzed in an inert atmosphere to form vitreous carbon aerogels. Melamine- formaldehyde (MF) aerogels that are both colorless and transparent are only formed under acidic conditions (i.e. pH = 1--2). In this paper, the microstructural dependence and scaling law relationships for the compressive modulus of silica, carbon, RF, and MF aerogels will be discussed in detail. 17 refs., 1 fig.

  10. Evaluation of an ambient air sampling system for tritium (as tritiated water vapor) using silica gel adsorbent columns

    SciTech Connect (OSTI)

    Patton, G.W.; Cooper, A.T.; Tinker, M.R.

    1995-08-01

    Ambient air samples for tritium analysis (as the tritiated water vapor [HTO] content of atmospheric moisture) are collected for the Hanford Site Surface Environmental Surveillance Project (SESP) using the solid adsorbent silica gel. The silica gel has a moisture sensitive indicator which allows for visual observation of moisture movement through a column. Despite using an established method, some silica gel columns showed a complete change in the color indicator for summertime samples suggesting that breakthrough had occurred; thus a series of tests was conducted on the sampling system in an environmental chamber. The purpose of this study was to determine the maximum practical sampling volume and overall collection efficiency for water vapor collected on silica gel columns. Another purpose was to demonstrate the use of an impinger-based system to load water vapor onto silica gel columns to provide realistic analytical spikes and blanks for the Hanford Site SESP. Breakthrough volumes (V{sub b}) were measured and the chromatographic efficiency (expressed as the number of theoretical plates [N]) was calculated for a range of environmental conditions. Tests involved visual observations of the change in the silica gel`s color indicator as a moist air stream was drawn through the column, measurement of the amount of a tritium tracer retained and then recovered from the silica gel, and gravimetric analysis for silica gel columns exposed in the environmental chamber.

  11. Monodisperse metal nanoparticle catalysts on silica mesoporous supports: synthesis, characterizations, and catalytic reactions

    SciTech Connect (OSTI)

    Somorjai, G.A.

    2009-09-14

    The design of high performance catalyst achieving near 100% product selectivity at maximum activity is one of the most important goals in the modern catalytic science research. To this end, the preparation of model catalysts whose catalytic performances can be predicted in a systematic and rational manner is of significant importance, which thereby allows understanding of the molecular ingredients affecting the catalytic performances. We have designed novel 3-dimensional (3D) high surface area model catalysts by the integration of colloidal metal nanoparticles and mesoporous silica supports. Monodisperse colloidal metal NPs with controllable size and shape were synthesized using dendrimers, polymers, or surfactants as the surface stabilizers. The size of Pt, and Rh nanoparticles can be varied from sub 1 nm to 15 nm, while the shape of Pt can be controlled to cube, cuboctahedron, and octahedron. The 3D model catalysts were generated by the incorporation of metal nanoparticles into the pores of mesoporous silica supports via two methods: capillary inclusion (CI) and nanoparticle encapsulation (NE). The former method relies on the sonication-induced inclusion of metal nanoparticles into the pores of mesoporous silica, whereas the latter is performed by the encapsulation of metal nanoparticles during the hydrothermal synthesis of mesoporous silica. The 3D model catalysts were comprehensively characterized by a variety of physical and chemical methods. These catalysts were found to show structure sensitivity in hydrocarbon conversion reactions. The Pt NPs supported on mesoporous SBA-15 silica (Pt/SBA-15) displayed significant particle size sensitivity in ethane hydrogenolysis over the size range of 1-7 nm. The Pt/SBA-15 catalysts also exhibited particle size dependent product selectivity in cyclohexene hydrogenation, crotonaldehyde hydrogenation, and pyrrole hydrogenation. The Rh loaded SBA-15 silica catalyst showed structure sensitivity in CO oxidation reaction. In addition, Pt-mesoporous silica core-shell structured NPs (Pt{at}mSiO{sub 2}) were prepared, where the individual Pt NP is encapsulated by the mesoporous silica layer. The Pt{at}mSiO{sub 2} catalysts showed promising catalytic activity in high temperature CO oxidation. The design of catalytic structures with tunable parameters by rational synthetic methods presents a major advance in the field of catalyst synthesis, which would lead to uncover the structure-function relationships in heterogeneous catalytic reactions.

  12. Applications of Geothermally-Produced Colloidal Silica in Reservoir Management - Smart Gels

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Hunt, Jonathan

    In enhanced geothermal systems (EGS) the reservoir permeability is often enhanced or created using hydraulic fracturing. In hydraulic fracturing, high fluid pressures are applied to confined zones in the subsurface usually using packers to fracture the host rock. This enhances rock permeability and therefore conductive heat transfer to the circulating geothermal fluid (e.g. water or supercritical carbon dioxide). The ultimate goal is to increase or improve the thermal energy production from the subsurface by either optimal designs of injection and production wells or by altering the fracture permeability to create different zones of circulation that can be exploited in geothermal heat extraction. Moreover, hydraulic fracturing can lead to the creation of undesirable short-circuits or fast flow-paths between the injection and extraction wells leading to a short thermal residence time, low heat recovery, and thus a short-life of the EGS. A potential remedy to these problems is to deploy a cementing (blocking, diverting) agent to minimize short-cuts and/or create new circulation cells for heat extraction. A potential diverting agent is the colloidal silica by-product that can be co-produced from geothermal fluids. Silica gels are abundant in various surface and subsurface applications, yet they have not been evaluated for EGS applications. In this study we are investigating the benefits of silica gel deployment on thermal response of an EGS, either by blocking short-circuiting undesirable pathways as a result of diverting the geofluid to other fractures; or creating, within fractures, new circulation cells for harvesting heat through newly active surface area contact. A significant advantage of colloidal silica is that it can be co-produced from geothermal fluids using an inexpensive membrane-based separation technology that was developed previously using DOE-GTP funding. This co-produced silica has properties that potentially make it useful as a fluid diversion agent for subsurface applications. Colloidal silica solutions exist as low-viscosity fluids during their induction period but then undergo a rapid increase in viscosity (gelation) to form a solid gel. The length of the induction period can be manipulated by varying the properties of the solution, such as silica concentration and colloid size. We believe it is possible to produce colloidal silica gels suitable for use as diverting agents for blocking undesirable fast-paths which result in short-circuiting the EGS once hydraulic fracturing has been deployed. In addition, the gels could be used in conventional geothermal fields to increase overall energy recovery by modifying flow.

  13. Applications of Geothermally-Produced Colloidal Silica in Reservoir Management - Smart Gels

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Hunt, Jonathan

    2013-01-31

    In enhanced geothermal systems (EGS) the reservoir permeability is often enhanced or created using hydraulic fracturing. In hydraulic fracturing, high fluid pressures are applied to confined zones in the subsurface usually using packers to fracture the host rock. This enhances rock permeability and therefore conductive heat transfer to the circulating geothermal fluid (e.g. water or supercritical carbon dioxide). The ultimate goal is to increase or improve the thermal energy production from the subsurface by either optimal designs of injection and production wells or by altering the fracture permeability to create different zones of circulation that can be exploited in geothermal heat extraction. Moreover, hydraulic fracturing can lead to the creation of undesirable short-circuits or fast flow-paths between the injection and extraction wells leading to a short thermal residence time, low heat recovery, and thus a short-life of the EGS. A potential remedy to these problems is to deploy a cementing (blocking, diverting) agent to minimize short-cuts and/or create new circulation cells for heat extraction. A potential diverting agent is the colloidal silica by-product that can be co-produced from geothermal fluids. Silica gels are abundant in various surface and subsurface applications, yet they have not been evaluated for EGS applications. In this study we are investigating the benefits of silica gel deployment on thermal response of an EGS, either by blocking short-circuiting undesirable pathways as a result of diverting the geofluid to other fractures; or creating, within fractures, new circulation cells for harvesting heat through newly active surface area contact. A significant advantage of colloidal silica is that it can be co-produced from geothermal fluids using an inexpensive membrane-based separation technology that was developed previously using DOE-GTP funding. This co-produced silica has properties that potentially make it useful as a fluid diversion agent for subsurface applications. Colloidal silica solutions exist as low-viscosity fluids during their induction period but then undergo a rapid increase in viscosity (gelation) to form a solid gel. The length of the induction period can be manipulated by varying the properties of the solution, such as silica concentration and colloid size. We believe it is possible to produce colloidal silica gels suitable for use as diverting agents for blocking undesirable fast-paths which result in short-circuiting the EGS once hydraulic fracturing has been deployed. In addition, the gels could be used in conventional geothermal fields to increase overall energy recovery by modifying flow.

  14. Probing the Silica/Polysiloxane Interface: A Solid State NMR Investigation

    Office of Scientific and Technical Information (OSTI)

    of y-Irradiated Composite Materials (Journal Article) | SciTech Connect Probing the Silica/Polysiloxane Interface: A Solid State NMR Investigation of y-Irradiated Composite Materials Citation Details In-Document Search Title: Probing the Silica/Polysiloxane Interface: A Solid State NMR Investigation of y-Irradiated Composite Materials Authors: Mayer, B P ; Chinn, S C ; Maxwell, R S ; Reimer, J A Publication Date: 2011-04-06 OSTI Identifier: 1213656 Report Number(s): LLNL-JRNL-479454 DOE

  15. Method and composition in which metal hydride particles are embedded in a silica network

    DOE Patents [OSTI]

    Heung, Leung K.

    1999-01-01

    A silica embedded metal hydride composition and a method for making such a composition. The composition is made via the following process: A quantity of fumed silica is blended with water to make a paste. After adding metal hydride particles, the paste is dried to form a solid. According to one embodiment of the invention, the solid is ground into granules for use of the product in hydrogen storage. Alternatively, the paste can be molded into plates or cylinders and then dried for use of the product as a hydrogen filter. Where mechanical strength is required, the paste can be impregnated in a porous substrate or wire network.

  16. Applications of Geothermally-Produced Colloidal Silica in Reservoir Management - Smart Gels

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Hunt, Jonathan

    2013-01-31

    In enhanced geothermal systems (EGS) the reservoir permeability is often enhanced or created using hydraulic fracturing. In hydraulic fracturing, high fluid pressures are applied to confined zones in the subsurface usually using packers to fracture the host rock. This enhances rock permeability and therefore conductive heat transfer to the circulating geothermal fluid (e.g. water or supercritical carbon dioxide). The ultimate goal is to increase or improve the thermal energy production from the subsurface by either optimal designs of injection and production wells or by altering the fracture permeability to create different zones of circulation that can be exploited in geothermal heat extraction. Moreover, hydraulic fracturing can lead to the creation of undesirable short-circuits or fast flow-paths between the injection and extraction wells leading to a short thermal residence time, low heat recovery, and thus a short-life of the EGS. A potential remedy to these problems is to deploy a cementing (blocking, diverting) agent to minimize short-cuts and/or create new circulation cells for heat extraction. A potential diverting agent is the colloidal silica by-product that can be co-produced from geothermal fluids. Silica gels are abundant in various surface and subsurface applications, yet they have not been evaluated for EGS applications. In this study we are investigating the benefits of silica gel deployment on thermal response of an EGS, either by blocking short-circuiting undesirable pathways as a result of diverting the geofluid to other fractures; or creating, within fractures, new circulation cells for harvesting heat through newly active surface area contact. A significant advantage of colloidal silica is that it can be co-produced from geothermal fluids using an inexpensive membrane-based separation technology that was developed previously using DOE-GTP funding. This co-produced silica has properties that potentially make it useful as a fluid diversion agent for subsurface applications. Colloidal silica solutions exist as low-viscosity fluids during their “induction period” but then undergo a rapid increase in viscosity (gelation) to form a solid gel. The length of the induction period can be manipulated by varying the properties of the solution, such as silica concentration and colloid size. We believe it is possible to produce colloidal silica gels suitable for use as diverting agents for blocking undesirable fast-paths which result in short-circuiting the EGS once hydraulic fracturing has been deployed. In addition, the gels could be used in conventional geothermal fields to increase overall energy recovery by modifying flow.

  17. Grafting Strategy to Develop Single Site Titanium on an Amorphous Silica Surface

    SciTech Connect (OSTI)

    Capel-Sanchez, M.; Blanco-Brieva, G; Campos-Martin, J; de Frutos, M; Wen, W; Rodriguez, J; Fierro, J

    2009-01-01

    Titanium/silica systems were prepared by grafting a titanium alkoxide (titanium isopropoxide and titanium (triethanolaminate) isopropoxide) precursor onto amorphous silica. The grafting process, which consisted of the hydrolysis of the Ti precursor by the hydroxyl groups on the silica surface, yielded samples containing Ti-loadings of 1-1.6 wt %. The as synthesized and calcined TiO2-SiO2 samples were characterized by UV-vis, FTIR, XPS, and XANES spectroscopic techniques. These systems were tested in the liquid-phase epoxidation of oct-1-ene with hydrogen peroxide reaction. Spectroscopic data indicated that titanium anchoring takes place by reaction between the alkoxide precursor and surface OH groups of the silica substrate. The nature of surface titanium species generated by chemical grafting depends largely on the titanium precursor employed. Thus, the titanium isopropoxide precursor yields tetrahedrally coordinated polymeric titanium species, which give rise to a low-efficiency catalyst. However, if an atrane precursor (titanium (triethanolaminate) isopropoxide) is employed, isolated titanium species are obtained. The fact that these species remain isolated even after calcination is due to the protective effect of the triethanolaminate ligand that avoids titanium polymerization. These differences in the titanium environment have a pivotal role in the performance of these systems in the epoxidation of alkenes with hydrogen peroxide.

  18. Silica-alumina trihydrate filled epoxy castings resistant to arced SF.sub.6

    DOE Patents [OSTI]

    Chenoweth, Terrence E.; Yeoman, Frederick A.

    1978-01-01

    A cured, insulating, casting composition, having a coefficient of linear thermal expansion of below about 38 .times. 10.sup.-6 in./in./.degree. C and being resistant to arced sulfur hexafluoride gas, in contact with a metal surface in a sulfur hexafluoride gas environment, is made from hydantoin epoxy resin, anhydride curing agent and a filler combination of fused silica and alumina trihydrate.

  19. Biogenic silica fluxes and accumulation rates in the Gulf of California

    SciTech Connect (OSTI)

    Thunell, R.C.; Pride, C.J.; Tappa, E. ); Muller-Karger, F.E. )

    1994-04-01

    The Gulf of California, though small in size, plays an important role in the global silica cycle. The seasonal pattern of biogenic silica flux in the gulf is closely related to that of phytoplankton biomass levels and is controlled by changes in weather and hydrographic conditions. The highest opal fluxes ([approximately] 0.35 g[center dot]m[sup [minus]2][center dot]d[sup [minus]1]) occur during winter and spring, and they are comparable to those measured in some of the most productive ecosystems of the world. Approximately 15%-25% of the biogenic silica produced in surface waters is preserved in gulf sediments, a figure significantly higher than the average global ocean preservation rate. However, the flux of opal at 500 m water depth is less than 25% of that being produced at the surface, suggesting that most of the recycling of biogenic silica in the Gulf of California occurs in the upper water column. 28 refs., 3 figs.

  20. Thermal stability of bimetallic Au/Fe nanoparticles in silica matrix

    SciTech Connect (OSTI)

    Pannu, Compesh Singh, Udai B. Hooda, Sonu Kabiraj, D. Avasthi, D. K.

    2014-04-24

    Thin silica film containing Au and Fe bimetallic nanoparticles were prepared by atom beam cosputtering. The samples were annealed at different temperatures from 400 to 800° C to study the thermal stability of bimetallic nanoparticles using X ray diffraction. It is observed that at 800° C strong structural rearrangement took place leading to thermal decomposition of bimetallic nanoparticles.

  1. RADIOLOGICAL RELEASES DUE TO AIR AND SILICA DUST ACTIVATION IN EMPLACEMENT DRIFTS

    SciTech Connect (OSTI)

    J.S. Tang

    2003-05-07

    The purpose of this calculation is to determine the quantity and significance of annual Monitored Geologic Repository (MGR) subsurface normal radiological releases due to neutron activation of air and silica dust in emplacement drifts. This calculation includes the following items: (1) Calculate activation of ventilation airflow through emplacement drifts to quantify radioactive gaseous releases; and (2) Calculate the bounding potential activated silica dust concentration and releases. The sources of silica dust may arise from air supply to emplacement drifts as well as host rock around emplacement drifts. For this calculation, the source of dust is conservatively assumed to be the host rock (Assumption 3.6), which is subject to long-term neutron exposure resulting in saturated radioactivity. The scope of this calculation is limited to releases from activated air and silica dust only, excluding natural radioactive releases such as radon or releases from defective waste packages (breached or contaminated). This work supports the repository ventilation system design and Preclosure Safety Analysis. This includes MGR items classified as Quality Level 1, for example, the Uncanistered Spent Nuclear Fuel Waste Package (CRWMS M&O [Civilian Radioactive Waste Management and Operation Contractor] 1999a, page 7). Therefore, this calculation is subject to the requirements of the ''Quality Assurance Requirements and Description'' (DOE [U.S. Department of Energy] 2003). The performance of the calculation and development of this document are carried out in accordance with AP-3.12Q, ''Design Calculation and Analyses'' and LP-3.30Q-BSC, ''Hazards Analysis System''.

  2. Femtosecond laser ablation dynamics of fused silica extracted from oscillation of time-resolved reflectivity

    SciTech Connect (OSTI)

    Kumada, Takayuki Akagi, Hiroshi; Itakura, Ryuji; Otobe, Tomohito; Yokoyama, Atsushi

    2014-03-14

    Femtosecond laser ablation dynamics of fused silica is examined via time-resolved reflectivity measurements. After optical breakdown was caused by irradiation of a pump pulse with fluence F{sub pump}?=?3.314.9?J/cm{sup 2}, the reflectivity oscillated with a period of 63??2 ps for a wavelength ??=?795?nm. The period was reduced by half for ??=?398?nm. We ascribe the oscillation to the interference between the probe pulses reflected from the front and rear surfaces of the photo-excited molten fused silica layer. The time-resolved reflectivity agrees closely with a model comprising a photo-excited layer which expands due to the formation of voids, and then separates into two parts, one of which is left on the sample surface and the other separated as a molten thin layer from the surface by the spallation mechanism. Such oscillations were not observed in the reflectivity of soda-lime glass. Whether the reflectivity oscillates or not probably depends on the layer viscosity while in a molten state. Since viscosity of the molten fused silica is several orders of magnitude higher than that of the soda-lime glass at the same temperature, fused silica forms a molten thin layer that reflects the probe pulse, whereas the soda-lime glass is fragmented into clusters.

  3. Biological Applications and Transmission Electron Microscopy Investigations of Mesoporous Silica Nanoparticles

    SciTech Connect (OSTI)

    Brian G. Trewyn

    2006-05-01

    The research presented and discussed within involves the development of novel biological applications of mesoporous silica nanoparticles (MSN) and an investigation of mesoporous material by transmission electron microscopy (TEM). Mesoporous silica nanoparticles organically functionalized shown to undergo endocytosis in cancer cells and drug release from the pores was controlled intracellularly and intercellularly. Transmission electron microscopy investigations demonstrated the variety of morphologies produced in this field of mesoporous silica nanomaterial synthesis. A series of room-temperature ionic liquid (RTIL) containing mesoporous silica nanoparticle (MSN) materials with various particle morphologies, including spheres, ellipsoids, rods, and tubes, were synthesized. By changing the RTIL template, the pore morphology was tuned from the MCM-41 type of hexagonal mesopores to rotational moire type of helical channels, and to wormhole-like porous structures. These materials were used as controlled release delivery nanodevices to deliver antibacterial ionic liquids against Escherichia coli K12. The involvement of a specific organosiloxane function group, covalently attached to the exterior of fluorescein doped mesoporous silica nanoparticles (FITC-MSN), on the degree and kinetics of endocytosis in cancer and plant cells was investigated. The kinetics of endocystosis of TEG coated FITC-MSN is significantly quicker than FITC-MSN as determined by flow cytometry experiments. The fluorescence confocal microscopy investigation showed the endocytosis of TEG coated-FITC MSN triethylene glycol grafted fluorescein doped MSN (TEG coated-FITC MSN) into both KeLa cells and Tobacco root protoplasts. Once the synthesis of a controlled-release delivery system based on MCM-41-type mesoporous silica nanorods capped by disulfide bonds with superparamagnetic iron oxide nanoparticles was completed. The material was characterized by general methods and the dosage and kinetics of the antioxidant dependent release was measured. Finally, the biological interaction of the material was determined along with TEM measurements. An electron investigation proved that the pore openings of the MSN were indeed blocked by the Fe{sub 3}O{sub 4} nanoparticles. The biological interaction investigation demonstrated Fe{sub 3}O{sub 4}-capped MSN endocytosis into HeLa cells. Not only does the material enter the cells through endocytosis, but it seems that fluorescein was released from the pores most probably caused by disulfide bond reducing molecules, antioxidants. In addition to endocytosis and release, the Fe{sub 3}O{sub 4}-capped MSN propelled the cells across a cuvette upon induction of a magnet force. Finally, an important aspect of materials characterization is transmission electron microscopy. A TEM investigation demonstrated that incorporating different functional groups during the synthesis (co-condensation) changed the particle and pore morphologies.

  4. Mesoporous silica film from a solution containing a surfactant and methods of making same

    DOE Patents [OSTI]

    Liu, Jun [West Richland, WA; Domansky, Karel [Cambridge, MA; Li, Xiaohong [Richland, WA; Fryxell, Glen E. [Kennewick, WA; Baskaran, Suresh [Kennewick, WA; Kohler, Nathan J. [Richland, WA; Thevuthasan, Suntharampillai [Kennewick, WA; Coyle, Christopher A. [Richland, WA; Birnbaum, Jerome C. [Richland, WA

    2001-12-11

    The present invention is a mesoporous silica film having a low dielectric constant and method of making having the steps of combining a surfactant in a silica precursor solution, spin-coating a film from this solution mixture, forming a partially hydroxylated mesoporous film, and dehydroxylating the hydroxylated film to obtain the mesoporous film. It is advantageous that the small polyoxyethylene ether surfactants used in spin-coated films as described in the present invention will result in fine pores smaller on average than about 20 nm. The resulting mesoporous film has a dielectric constant less than 3, which is stable in moist air with a specific humidity. The present invention provides a method for superior control of film thickness and thickness uniformity over a coated wafer, and films with low dielectric constant.

  5. Microstructural Changes Due to Alkali-Silica Reaction during Standard Mortar Test

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shin, Jun-Ho; Struble, Leslie; Kirkpatrick, R.

    2015-12-01

    The microstructural development of mortar bars with silica glass aggregate undergoing alkali-silica reaction (ASR) under the conditions of American Society for Testing and Materials (ASTM) Standard Test C1260 was analyzed using scanning electron microscopy and qualitative X-ray microanalysis. Cracking in the aggregate, the hydrated paste, and the paste-aggregate interface was important in the development of the microstructure. Cracks were characterized according to their location, their relationship to other cracks, and whether they are filled with ASR gel. Expansion of the bars was approximately 1% at 12 days and 2% at 53 days. They fell apart by 63 days. The barsmore » contained two zones, an inner region that was undergoing ASR and an outer and much more highly damaged zone that extended further inward over time. Evidence of ASR was present even during the period when specimens were immersed in water, prior to immersion in NaOH solution.« less

  6. Experimental stress–strain analysis of tapered silica optical fibers with nanofiber waist

    SciTech Connect (OSTI)

    Holleis, S.; Hoinkes, T.; Wuttke, C.; Schneeweiss, P.; Rauschenbeutel, A.

    2014-04-21

    We experimentally determine tensile force–elongation diagrams of tapered optical fibers with a nanofiber waist. The tapered optical fibers are produced from standard silica optical fibers using a heat and pull process. Both, the force–elongation data and scanning electron microscope images of the rupture points indicate a brittle material. Despite the small waist radii of only a few hundred nanometers, our experimental data can be fully explained by a nonlinear stress–strain model that relies on material properties of macroscopic silica optical fibers. This is an important asset when it comes to designing miniaturized optical elements as one can rely on the well-founded material characteristics of standard optical fibers. Based on this understanding, we demonstrate a simple and non-destructive technique that allows us to determine the waist radius of the tapered optical fiber. We find excellent agreement with independent scanning electron microscope measurements of the waist radius.

  7. Investigating the mesostructure of ordered porous silica nanocomposites by transmission electron microscopy techniques

    SciTech Connect (OSTI)

    Bullita, S.; Casula, M. F.; Piludu, M.; Falqui, A.; Carta, D.; Corrias, A.

    2014-10-21

    Nanocomposites made out of FeCo alloy nanocrystals supported onto pre-formed mesoporous ordered silica which features a cubic arrangement of pores (SBA-16) were investigated. Information on the effect of the nanocrystals on the mesostructure (i.e. pore arrangement symmetry, pore size, and shape) were deduced by a multitechnique approach including N2 physisorption, low angle X-ray diffraction, and Transmission electron microscopy. It is shown that advanced transmission electron microscopy techniques are required, however, to gain direct evidence on key compositional and textural features of the nanocomposites. In particular, electron tomography and microtomy techniques make clear that the FeCo nanocrystals are located within the pores of the SBA-16 silica, and that the ordered mesostructure of the nanocomposite is retained throughout the observed specimen.

  8. Fracture Induced Sub-Band Absorption as a Precursor to Optical Damage on Fused Silica Surfaces

    SciTech Connect (OSTI)

    Miller, P E; Bude, J D; Suratwala, T I; Shen, N; Laurence, T A; Steele, W A; Menapace, J; Feit, M D; Wong, L L

    2010-03-05

    The optical damage threshold of indentation induced flaws on fused silica surfaces was explored. Mechanical flaws were characterized by laser damaged testing, SEM, optical, and photoluminescence microscopy. Localized polishing, chemical etching, and the control of indentation morphology were used to isolate the structural features which limit optical damage. A thin defect layer on fracture surfaces, including those smaller than the wavelength of visible light, was found to be the dominant source of laser damage initiation during illumination with 355nm, 3ns laser pulses. Little evidence was found that either displaced or densified material or fluence intensification plays a significant role in optical damage at fluences >35J/cm{sup 2}. Elimination of the defect layer was shown to increase the overall damage performance of fused silica optics.

  9. Detection of alkali-silica reaction swelling in concrete by staining

    DOE Patents [OSTI]

    Guthrie, Jr., George D.; Carey, J. William

    1998-01-01

    A method using concentrated aqueous solutions of sodium cobaltinitrite and rhodamine B is described which can be used to identify concrete that contains gels formed by the alkali-silica reaction (ASR). These solutions present little health or environmental risk, are readily applied, and rapidly discriminate between two chemically distinct gels; K-rich, Na--K--Ca--Si gels are identified by yellow staining, and alkali-poor, Ca--Si gels are identified by pink staining.

  10. Detection of alkali-silica reaction swelling in concrete by staining

    DOE Patents [OSTI]

    Guthrie, G.D. Jr.; Carey, J.W.

    1998-04-14

    A method using concentrated aqueous solutions of sodium cobalt nitrite and rhodamine B is described which can be used to identify concrete that contains gels formed by the alkali-silica reaction (ASR). These solutions present little health or environmental risk, are readily applied, and rapidly discriminate between two chemically distinct gels; K-rich, Na-K-Ca-Si gels are identified by yellow staining, and alkali-poor, Ca-Si gels are identified by pink staining.

  11. Origins of secondary silica within Yucca Mountain, Nye County, southwestern Nevada

    SciTech Connect (OSTI)

    Moscati, R.J.; Whelan, J.F.

    1996-09-01

    The accuracy of predictions of the hydrologic response of Yucca Mountain to future climate depends largely on how well relations between past climate and hydrology can be resolved. To advance this reconstruction, secondary minerals in and near Yucca Mountain, deposited by ground waters that originated both as surficial recharge at Yucca Mountain and from regional aquifers, are being studied to determine past ground-water sources and chemistries. Preliminary data on stable oxygen isotopes indicate that, although silica (opal, quartz, and chalcedony) and calcite and have formed in similar settings and from somewhat similar fluids, the authors have found no compelling evidence of coprecipitation or formation from identical fluids. If verified by further analyses, this precludes the use of silica-calcite mineral pairs for precise geothermometry. The preliminary data also indicate that opal and calcite occurrences in pedogenic and unsaturated-zone settings are invariably compatible with formation under modern ambient surface or subsurface temperatures. Silica and calcite stable-isotope studies are being integrated with soil geochemical modeling. This modeling will define the soil geochemical condition (climate) leading to opal or calcite deposition and to the transfer functions that may apply at the meteorologic soil unsaturated-zone interfaces. Additional study of pedogenic and unsaturated-zone silica is needed to support these models. The hypothesis that the transformation of vapor-phase tridymite to quartz requires saturated conditions is being tested through stable oxygen-isotope studies of lithophysal tridymite/quartz mixtures. Should this hypothesis be verified, mineralogic analysis by X-ray diffraction theoretically would permit reconstruction of past maximum water-table elevations.

  12. Controlled epitaxial growth of mesoporous silica/gold nanorod nanolollipops and nanodumb-bells

    SciTech Connect (OSTI)

    Huang, Ching-Mao; Chung, Ming-Fang; Lo, Leu-Wei; Souris, Jeffrey S.

    2014-11-01

    In this work, we describe the controlled synthesis of novel heterogeneous nanostructures comprised of mesoporous silica-coated gold nanorods (MSGNRs) in the form of coreshell nanolollipops and nanodumb-bells, using a seed-mediated solgel method. Although MSGNR coreshell (?-MSGNR) structures have been reported previously by us and others, we herein discuss the first ever fabrication of MSGNR nanolollipops (?-MSGNR) and nanodumb-bells (?-MSGNR), achieved by simply controlling the aging time of gold nanorods (GNRs), the residual cetyltrimethylammonium bromide (CTAB) coating of GNRs, and the addition of dimethyl formamide during incubation, centrifugation, and sonication, respectively. Transmission electron microscopy revealed two bare GNR isoforms, with aspect ratios of approximately 4 and 6, while scanning electron microscopy was used to further elucidate the morphology of ?-MSGNR and ?-MSGNR heterostructures. In agreement with the smaller dielectric constants afforded by incomplete silica encasement, spectroscopic studies of ?-MSGNR and ?-MSGNR, surface plasmon resonance (SPR) bands revealed 20-40 nm blue shifts relative to the SPR of ?-MSGNR. On the basis of the attributes and applications of more conventional ?-MSGNRs, ?-MSGNRs and ?-MSGNRs are anticipated to provide most of the utility of ?-MSGNRs, but with the additional functionalities that accompany their incorporation of both bare gold and mesoporous silica encased tips; with significant/unique implications for biomedical and catalytic applications.

  13. Sorption Behavior of Strontium-85 Onto Colloids of Silica and Smectite

    SciTech Connect (OSTI)

    Lu, N.; Triay, I.R.; Mason, C.F.V.; Longmire, P.A.

    1998-11-10

    Strontium-90 is one of the sizable radioactive contaminants found in DP Canyon at Los Alamos, New Mexico. Radioactive surveys found the {sup 90}Sr is present in surface and groundwater in DP Canyon and Los Alamos Canyon. Colloids may influence the transport of this radionuclide in surface water and groundwater environments in both canyons. In this study, we investigated the sorption/desorption behavior of Sr on colloids of smectite and silica. Laboratory batch sorption experiments were conducted using {sup 85}Sr as a surrogate to {sup 90}Sr. Groundwater, collected from DP Canyon and from Well J-13 at Yucca Mountain, Nevada, and deionized water were used in this study. Our results show that 92% to 100% of {sup 85}Sr was rapidly adsorbed onto smectite colloids in all three waters. The concentrations of Ca{sup 2+} significantly influence the adsorption of {sup 85}Sr onto silica colloids. Desorption of {sup 85}Sr from smectite colloids is much slower than the sorption process. Desorption of {sup 85}Sr from silica colloids was rapid in DP groundwater and slow using J-13 groundwater and deionized water.

  14. Multicomponent Seismic Analysis and Calibration to Improve Recovery from Algal Mounds: Application to the Roadrunner/Towaoc area of the Paradox Basin, UTE Mountain UTE Reservation, Colorado

    SciTech Connect (OSTI)

    Joe Hachey

    2007-09-30

    The goals of this project were: (1) To enhance recovery of oil contained within algal mounds on the Ute Mountain Ute tribal lands. (2) To promote the use of advanced technology and expand the technical capability of the Native American Oil production corporations by direct assistance in the current project and dissemination of technology to other Tribes. (3) To develop an understanding of multicomponent seismic data as it relates to the variations in permeability and porosity of algal mounds, as well as lateral facies variations, for use in both reservoir development and exploration. (4) To identify any undiscovered algal mounds for field-extension within the area of seismic coverage. (5) To evaluate the potential for applying CO{sub 2} floods, steam floods, water floods or other secondary or tertiary recovery processes to increase production. The technical work scope was carried out by: (1) Acquiring multicomponent seismic data over the project area; (2) Processing and reprocessing the multicomponent data to extract as much geological and engineering data as possible within the budget and time-frame of the project; (3) Preparing maps and data volumes of geological and engineering data based on the multicomponent seismic and well data; (4) Selecting drilling targets if warranted by the seismic interpretation; (5) Constructing a static reservoir model of the project area; and (6) Constructing a dynamic history-matched simulation model from the static model. The original project scope covered a 6 mi{sup 2} (15.6 km{sup 2}) area encompassing two algal mound fields (Towaoc and Roadrunner). 3D3C seismic data was to acquired over this area to delineate mound complexes and image internal reservoir properties such as porosity and fluid saturations. After the project began, the Red Willow Production Company, a project partner and fully-owned company of the Southern Ute Tribe, contributed additional money to upgrade the survey to a nine-component (3D9C) survey. The purpose of this upgrade to nine components was to provide additional shear wave component data that might prove useful in delineating internal mound reservoir attributes. Also, Red Willow extended the P-wave portion of the survey to the northwest of the original 6 mi{sup 2} (15.6 km{sup 2}) 3D9C area in order to extend coverage further to the northwest to the Marble Wash area. In order to accomplish this scope of work, 3D9C seismic data set covering two known reservoirs was acquired and processed. Three-dimensional, zero-offset vertical seismic profile (VSP) data was acquired to determine the shear wave velocities for processing the sh3Dseismic data. Anisotropic velocity, and azimuthal AVO processing was carried out in addition to the conventional 3D P-wave data processing. All P-, PS- and S-wave volumes of the seismic data were interpreted to map the seismic response. The interpretation consisted of conventional cross-plots of seismic attributes vs. geological and reservoir engineering data, as well as multivariate and neural net analyses to assess whether additional resolution on exploration and engineering parameters could be achieved through the combined use of several seismic variables. Engineering data in the two reservoirs was used to develop a combined lithology, structure and permeability map. On the basis of the seismic data, a well was drilled into the northern mound trend in the project area. This well, Roadrunner No.9-2, was brought into production in late April 2006 and continues to produce modest amounts of oil and gas. As of the end of August 2007, the well has produced approximately 12,000 barrels of oil and 32,000 mcf of gas. A static reservoir model was created from the seismic data interpretations and well data. The seismic data was tied to various markers identified in the well logs, which in turn were related to lithostratigraphy. The tops and thicknesses of the various units were extrapolated from well control based upon the seismic data that was calibrated to the well picks. The reservoir engineering properties were available from a number of wells in the project area. Multivariate regressions of seismic attributes versus engineering parameters, such as porosity, were then used to guide interpolation away from well control. These formed the basis for dynamic reservoir simulations. The simulations were used to assess the potential for additional reservoir development, and to provide insight as to how well the multivariate approach worked for assigning more realistic values of internal mound reservoir properties.

  15. Investigation of warm-cloud microphysics using a multi-component cloud model: Interactive effects of the aerosol spectrum. Master's thesis

    SciTech Connect (OSTI)

    Zahn, S.G.

    1993-12-01

    Clouds, especially low, warm, boundary-layer clouds, play an important role in regulating the earth's climate due to their significant contribution to the global albedo. The radiative effects of individual clouds are controlled largely by cloud microstructure, which is itself sensitive to the concentration and spectral distribution of the atmospheric aerosol. Increases in aerosol particle concentrations from anthropogenic activity could result in increased cloud albedo and global cloudiness, increasing the amount of reflected solar radiation. However, the effects of increased aerosol particle concentrations could be offset by the presence of giant or ultragiant aerosol particles. A one-dimensional, multi-component microphysical cloud model has been used to demonstrate the effects of aerosol particle spectral variations on the microstructure of warm clouds. Simulations performed with this model demonstrate that the introduction of increased concentrations of giant aerosol particles has a destabilizing effect on the cloud microstructure. Also, it is shown that warm-cloud microphysical processes modify the aerosol particle spectrum, favoring the generation of the largest sized particles via the collision-coalescence process. These simulations provide further evidence that the effect of aerosol particles on cloud microstructure must be addressed when considering global climate forecasts.

  16. Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kim, J. S.; Kim, S. Y.; Kim, D. H.; Ott, R. T.; Kim, H. G.; Lee, M. H.

    2015-07-01

    The specific feature of multi-component oxides synthesized by hydrothermal process under high temperature (633 K) and highly pressurized water (18.9 MPa) near critical point. Effects of hydrothermal processing duration times 24 hours and 72 hours, respectively, on the oxide formation of the Ni59Zr20Ti16Si2Sn3 metallic glass synthesized by powder metallurgy process were characterized by X-ray diffractometer, differential scanning calorimeter along with the particle size, morphology and crystalline phase of the oxides. The crystallization of the needle-shape NiTiO3, ZrTiO4 and ZrSnO4 ternary oxide phases observed on the surface of metallic glass at below glass transition temperature and the morphology of oxide phasesmore » changed to plate-shape around 2 μm in diameter by the increase processing time. This hydrothermal processing in subcritical water provides accelerated dense metal oxide crystals due to the reaction medium being at higher pressure than conventional oxidation processing.« less

  17. Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point

    SciTech Connect (OSTI)

    Kim, J. S.; Kim, S. Y.; Kim, D. H.; Ott, R. T.; Kim, H. G.; Lee, M. H.

    2015-07-01

    The specific feature of multi-component oxides synthesized by hydrothermal process under high temperature (633 K) and highly pressurized water (18.9 MPa) near critical point. Effects of hydrothermal processing duration times 24 hours and 72 hours, respectively, on the oxide formation of the Ni59Zr20Ti16Si2Sn3 metallic glass synthesized by powder metallurgy process were characterized by X-ray diffractometer, differential scanning calorimeter along with the particle size, morphology and crystalline phase of the oxides. The crystallization of the needle-shape NiTiO3, ZrTiO4 and ZrSnO4 ternary oxide phases observed on the surface of metallic glass at below glass transition temperature and the morphology of oxide phases changed to plate-shape around 2 μm in diameter by the increase processing time. This hydrothermal processing in subcritical water provides accelerated dense metal oxide crystals due to the reaction medium being at higher pressure than conventional oxidation processing.

  18. Improving the Monitoring, Verification, and Accounting of CO{sub 2} Sequestered in Geologic Systems with Multicomponent Seismic Technology and Rock Physics Modeling

    SciTech Connect (OSTI)

    Alkan, Engin; DeAngelo, Michael; Hardage, Bob; Sava, Diana; Sullivan, Charlotte; Wagner, Donald

    2012-12-31

    Research done in this study showed that P-SV seismic data provide better spatial resolution of geologic targets at our Appalachian Basin study area than do P-P data. This finding is important because the latter data (P-P) are the principal seismic data used to evaluate rock systems considered for CO{sub 2} sequestration. The increase in P-SV{sub 1} resolution over P-P resolution was particularly significant, with P-SV{sub 1} wavelengths being approximately 40-percent shorter than P-P wavelengths. CO{sub 2} sequestration projects across the Appalachian Basin should take advantage of the increased resolution provided by converted-shear seismic modes relative to P-wave seismic data. In addition to S-wave data providing better resolution of geologic targets, we found S-wave images described reservoir heterogeneities that P-P data could not see. Specifically, a channel-like anomaly was imaged in a key porous sandstone interval by P-SV{sub 1} data, and no indication of the feature existed in P-P data. If any stratigraphic unit is considered for CO{sub 2} storage purposes, it is important to know all heterogeneities internal to the unit to understand reservoir compartmentalization. We conclude it is essential that multicomponent seismic data be used to evaluate all potential reservoir targets whenever a CO{sub 2} storage effort is considered, particularly when sequestration efforts are initiated in the Appalachian Basin. Significant differences were observed between P-wave sequences and S- wave sequences in data windows corresponding to the Oriskany Sandstone, a popular unit considered for CO{sub 2} sequestration. This example demonstrates that S-wave sequences and facies often differ from P-wave sequences and facies and is a principle we have observed in every multicomponent seismic interpretation our research laboratory has done. As a result, we now emphasis elastic wavefield seismic stratigraphy in our reservoir characterization studies, which is a science based on the concept that the same weight must be given to S-wave sequences and facies as is given to P-wave sequences and facies. This philosophy differs from the standard practice of depending on only conventional P-wave seismic stratigraphy to characterize reservoir units. The fundamental physics of elastic wavefield seismic stratigraphy is that S- wave modes sense different sequences and facies across some intervals than does a P-wave mode because S-wave displacement vectors are orthogonal to P- wave displacement vectors and thus react to a different rock fabric than do P waves. Although P and S images are different, both images can still be correct in terms of the rock fabric information they reveal.

  19. Synthesis and characterization of pharmaceutical surfactant templated mesoporous silica: Its application to controlled delivery of duloxetine

    SciTech Connect (OSTI)

    Mani, Ganesh; Pushparaj, Hemalatha; Peng, Mei Mei; Muthiahpillai, Palanichamy; Udhumansha, Ubaidulla; Jang, Hyun Tae

    2014-03-01

    Graphical abstract: - Highlights: Usefulness of dual pharmaceutical surfactants in silica synthesis was evaluated. Effects of concentration of secondary template (Tween-40) were studied. Effects of fixed solvothermal condition on mesostructure formation were studied. Duloxetine drug loading capability was studied. Sustained release of duloxetine was evaluated. - Abstract: A new group of mesoporous silica nanoparticles (MSNs) were synthesized using combination pharmaceutical surfactants, Triton X-100 and Tween-40 as template and loaded with duloxetine hydrochloride (DX), for improving the sustained release of DX and patterns with high drug loading. Agglomerated spherical silica MSNs were synthesized by solgel and solvothermal methods. The calcined and drug loaded MSNs were characterized using X-ray diffraction (XRD), BraunnerEmmettTeller (BET), thermogravimetric analysis (TGA), Fourier-transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), differential scanning calorimetry (DSC), diffuse reflectance ultravioletvisible (DRS-UVvis) spectroscopy. MSNs with high surface area and pore volume were selected and studied for their DX loading and release. The selected MSNs can accommodate a maximum of 34% DX within it. About 90% was released at 200 h and hence, the synthesized MSNs were capable of engulfing DX and sustain its release. Further form the Ritger and Peppas, Higuchi model for mechanism drug release from all the MSN matrices follows anomalous transport or Non-Fickian diffusion with the r and n value 0.9 and 0.45 < n < 1, respectively. So, from this study it could be concluded that the MSNs synthesized using pharmaceutical templates were better choice of reservoir for the controlled delivery of drug which requires sustained release.

  20. Distribution of 1-Butyl-3-methylimidazolium Bistrifluoromethylsulfonimide in Mesoporous Silica as a Function of Pore Filling

    SciTech Connect (OSTI)

    Han, Kee Sung; Wang, Xiqing; Hagaman, Edward {Ed} W; Dai, Sheng

    2013-01-01

    Rotational dynamics of the ionic liquid (IL) 1-butyl-3-methlyimidazolium bistrifluoromethylsulfonimide, [C4mim][Tf2N], 1, as a neat liquid and confined in mesoporous silica were investigated by 1H spin-spin (T2) and spin-lattice (T1) relaxation measurements and 13C NMR spectroscopy. Translational dynamics (self-diffusion) were monitored via the diffusion coefficient, D, obtained with 1H pulsed field gradient NMR measurements. These data were used to determine the distribution of 1 in the pores of KIT-6, a mesoporous silica with a bicontinuous gyroid pore structure, as a function of filling fraction. Relaxation studies performed as a function of filling factor and temperature, reveal a dynamic heterogeneity in both translational and rotational motions for 1 at filling factors, f, = 0.2-1.0 (f = 1 corresponds to fully filled pores). Spin-lattice and spin-spin relaxation times reveal the motion of 1 in silica mesopores conform to that expected for a two-dimensional relaxation model. The relaxation dynamics are interpreted using a two-state, fast exchange model for all motions; a slow rotation (and translation) of molecules in contact with the surface and a faster motion approximated by the values for bulk relaxation and diffusion. 1 retains liquid like behavior at all filling factors and temperatures that extend to ca. 50 degrees below the bulk melting point. Translational motion in these systems, interpreted with MD-simulated diffusivity limits, confirms the high propensity of 1 to form a monolayer film on the silica surface at low filling factors.. The attractive interaction of 1 with the surface is greater than that for self-association of 1. The trends in diffusion data at short and long diffusion time suggest that the population of surface-bound 1 is in intimate contact with 1 in the pores. This condition is most easily met at higher filling fractions with successive additions of 1 increasing the layer thickness built up on the surface layer.

  1. Efficient photocatalytic hydrogen generation by silica supported and platinum promoted titanium dioxide

    SciTech Connect (OSTI)

    Joshi, Meenal M.; Labhsetwar, Nitin K.; Parwate, D.V.; Rayalu, Sadhana S.

    2013-09-01

    Graphical abstract: Titanium dioxide was supported on mesoporous silica and promoted with Pt and Ru. The supported photocatalysts show high surface area and better photocatalytic activity in visible light as compared to the benchmark Degussa P25. These photocatalysts were characterized using XRD, BET-SA, and UV-DRS techniques. The surface area of supported photocatalyst was 140.6 m{sup 2}/g which is higher than Degussa P-25. Supported photocatalyst was evaluated for hydrogen evolution via water splitting reaction using ethanol as a sacrificial donor. Hydrogen yield observed is 4791.43 ?mol/h/g of TiO{sub 2} and that for P-25 is 161 ?mol/h/g of TiO{sub 2} under visible light irradiation. The value is 30 times higher than benchmark material Degussa P-25. This photocatalyst is also found stable up to 24 h without replenishing with sacrificial donor ethanol. - Highlights: Semiconductor titanium dioxide has been supported on silica gel and promoted with Pt by simple wet impregnation route. This synthesized photocatalyst is showing high surface area of 140.6 m{sup 2}/g with crystallite size in the range of 15.44 ?. This photocatalyst is showing enhanced hydrogen yield of about 4791.43 ?mol/h/g of TiO{sub 2}. This photocatalyst is also found stable up to 24 h without replenishing with sacrificial donor ethanol. The effect of various operating parameters on supported photocatalyst also has been studied. - Abstract: Titanium dioxide was supported on mesoporous silica and promoted with Pt and Ru. The supported photocatalysts show high surface area and better photocatalytic activity in visible light as compared to the benchmark Degussa P25. These photocatalysts were characterized using XRD, BET-SA, and UV-DRS techniques. The surface area of supported photocatalyst was 140.6 m{sup 2}/g which is higher than Degussa P-25. Supported photocatalyst was evaluated for hydrogen evolution via water splitting reaction using ethanol as a sacrificial donor. Hydrogen yield observed is 4791.43 ?mol/h/g of TiO{sub 2} and that for P-25 is 161 ?mol/h/g of TiO{sub 2} under visible light irradiation. The value is 30 times higher than benchmark material Degussa P-25. This photocatalyst is also found stable up to 24 h without replenishing with sacrificial donor ethanol. However silica gel/TiO{sub 2}/Ru does not show any exciting result for hydrogen generation. The effect of various operating parameters like photocatalyst loading, Illumination time and intensity of light on supported photocatalyst also has been studied.

  2. Role of suprathermal electrons during nanosecond laser energy deposit in fused silica

    SciTech Connect (OSTI)

    Grua, P.; Hébert, D.; Lamaignère, L.; Rullier, J.-L.

    2014-08-25

    An accurate description of interaction between a nanosecond laser pulse and a wide band gap dielectric, such as fused silica, requires the understanding of energy deposit induced by temperature changes occurring in the material. In order to identify the fundamental processes involved in laser-matter interaction, we have used a 1D computational model that allows us to describe a wide set of physical mechanisms and intended for comparison with specially designed “1D experiments.” We have pointed out that suprathermal electrons are very likely implicated in heat conduction, and this assumption has allowed the model to reproduce the experiments.

  3. Synthesis and characterization of mesostructured silicas and gold frameworks as active matrices for biomolecule encapsulation.

    SciTech Connect (OSTI)

    Iton, L. E.; Crisci, A. J.; Vajdova, V.; Laible, P. D.; Burns, C. T.; Firestone, M. A.

    2006-01-01

    Interfacing of biomolecules to inorganic frameworks is essential for fabricating robust, functionally integrated biocomposites that may prove useful in a wide range of technologies including biocatalysis, biosensors or protein-based devices. Our work is directed at developing means to integrate biomolecules into mesostructured inorganics. These frameworks serve to both improve the mechanical stability of the proteins and to facilitate communication with them. Toward that end, we have synthesized and characterized mesoporous silicas and conductive metallic frameworks and have examined the encapsulation of both soluble (cytochrome c) and membrane proteins (bacteriorhodpsin) within them.

  4. Femtosecond laser pulse filamentation under anomalous dispersion in fused silica. Part 1. Numerical investigation

    SciTech Connect (OSTI)

    Smetanina, E O; Kompanets, V O; Chekalin, Sergei V; Kandidov, V P

    2012-10-31

    We report the results of investigation of femtosecond laser pulse filamentation in fused silica by varying the wavelength in the range from 800 to 2300 nm. It is shown that in the case of the anomalous group-velocity dispersion, a sequence of 'light bullets' with a high spatial and temporal localisation of the light field is formed along the filament. The relation of the formation and propagation of light bullets with the formation of an isolated anti-Stokes wing of the supercontinuum spectrum is established. (nonlinear optical phenomena)

  5. Dynamics of tungsten hexacarbonyl, dicobalt octacarbonyl, and their fragments adsorbed on silica surfaces

    SciTech Connect (OSTI)

    Muthukumar, Kaliappan; Valent, Roser; Jeschke, Harald O.

    2014-05-14

    Tungsten and cobalt carbonyls adsorbed on a substrate are typical starting points for the electron beam induced deposition of tungsten or cobalt based metallic nanostructures. We employ first principles molecular dynamics simulations to investigate the dynamics and vibrational spectra of W(CO){sub 6} and W(CO){sub 5} as well as Co{sub 2}(CO){sub 8} and Co(CO){sub 4} precursor molecules on fully and partially hydroxylated silica surfaces. Such surfaces resemble the initial conditions of electron beam induced growth processes. We find that both W(CO){sub 6} and Co{sub 2}(CO){sub 8} are stable at room temperature and mobile on a silica surface saturated with hydroxyl groups (OH), moving up to half an Angstrm per picosecond. In contrast, chemisorbed W(CO){sub 5} or Co(CO){sub 4} ions at room temperature do not change their binding site. These results contribute to gaining fundamental insight into how the molecules behave in the simulated time window of 20 ps and our determined vibrational spectra of all species provide signatures for experimentally distinguishing the form in which precursors cover a substrate.

  6. Biogenicity of silica precipitation around geysers and hot-spring vents, North Island, New Zealand

    SciTech Connect (OSTI)

    Jones, B.; Renaut, R.W.; Rosen, M.R.

    1997-01-01

    Before anthropogenic modifications, Ohaaki Pool (Broadlands-Ohaaki) and Dragon`s Mouth Geyser (Wairakei) emitted waters at temperatures of 93--98 C. The siliceous sinter that precipitated around their vents has the characteristics of geyserite, a dense laminated deposit of presumed abiogenic origin, that was precipitated from waters too hot (>73C) to support microbes other than thermophilic bacteria. Petrographic and SEM examinations of the sinters show that they incorporate columnar stromatolites and silicified, laminated stromatolitic mats that contain well-preserved filamentous microbes. At both localities the microbes lack evidence of desiccation or shrinkage, which implies that they were silicified rapidly at or shortly after their death. Although boiling and very hot (>90 C) waters were discharged, temperatures at many sites surrounding the vents remained sufficiently low and moist to support a microbial community that included thermophilic bacteria and cyanobacteria. In these cooler niches, the microbes and their biofilms served as highly favorable templates for the nucleation and growth of amorphous silica, and collectively provided a microbial framework for the laminated accretionary sinter. Some columnar, spicular, and stratiform geyserites are probably not abiotic precipitates, but are true silica stromatolites.

  7. High resolution transmission electron microscopy of melamine-formaldehyde aerogels and silica aerogels

    SciTech Connect (OSTI)

    Ruben, G.C. (Dartmouth Coll., Hanover, NH (United States). Dept. of Biological Sciences)

    1991-09-01

    The goal of the high resolution transmission electron microscopy (HRTEM) was to image the structure of two tetramethyl orthosilicate (TMOS) and two melamine-formaldehyde (MF) aerogels at the single polymer chain level{sup 1,2}. With this level of structural resolution we hoped to interrelate each aerogel's structure with its physical properties and its method of synthesis. Conventional single-step base catalysed TMOS aerogels show strings of spheroidal particles linked together with minimal necking. The spheroidal particles range from 86--132 {Angstrom} and average 113{plus minus}10 {Angstrom} in diameter{sup 2}. In contrast the TMOS aerogels reported on here were made by a two step method. After extended silica chains are grown in solution under acidic conditions with a substoichiometric amount of water, the reaction is stopped and the methanol hydrolysed from TMOS is removed. Then base catalysis and additional water are added to cause gel formation is a nonalcoholic solvent. The MF aerogels were prepared for HRTEM by fracturing them on a stereo microscope stage with razor knife so that fractured pieces with smooth flat surfaces could be selected for platinum-carbon replication. The two silica (TMOS) aerogels were both transparent and difficult to see. These aerogels were fractured on a stereo microscope stage with tweezers. 6 refs., 4 figs.

  8. Thermally Stable Nanocatalyst for High Temperature Reactions: Pt-Mesoporous Silica Core-Shell Nanoparticles

    SciTech Connect (OSTI)

    Joo, Sang Hoon; Park, J.Y.; Tsung, C.-K.; Yamada, Y.; Yang, P.; Somorjai, G.A.

    2008-10-25

    Recent advances in colloidal synthesis enabled the precise control of size, shape and composition of catalytic metal nanoparticles, allowing their use as model catalysts for systematic investigations of the atomic-scale properties affecting catalytic activity and selectivity. The organic capping agents stabilizing colloidal nanoparticles, however, often limit their application in high-temperature catalytic reactions. Here we report the design of a high-temperature stable model catalytic system that consists of Pt metal core coated with a mesoporous silica shell (Pt{at}mSiO{sub 2}). While inorganic silica shells encaged the Pt cores up to 750 C in air, the mesopores directly accessible to Pt cores made the Pt{at}mSiO{sub 2} nanoparticles as catalytically active as bare Pt metal for ethylene hydrogenation and CO oxidation. The high thermal stability of Pt{at}mSiO{sub 2} nanoparticles permitted high-temperature CO oxidation studies, including ignition behavior, which was not possible for bare Pt nanoparticles because of their deformation or aggregation. The results suggest that the Pt{at}mSiO{sub 2} nanoparticles are excellent nanocatalytic systems for high-temperature catalytic reactions or surface chemical processes, and the design concept employed in the Pt{at}mSiO{sub 2} core-shell catalyst can be extended to other metal-metal oxide compositions.

  9. SILICA GEL BEHAVIOR UNDER DIFFERENT EGS CHEMICAL AND THERMAL CONDITIONS: AN EXPERIMENTAL STUDY

    SciTech Connect (OSTI)

    Hunt, J D; Ezzedine, S M; Bourcier, W; Roberts, S

    2012-01-19

    Fractures and fracture networks are the principal pathways for migration of water and contaminants in groundwater systems, fluids in enhanced geothermal systems (EGS), oil and gas in petroleum reservoirs, carbon dioxide leakage from geological carbon sequestration, and radioactive and toxic industrial wastes from underground storage repositories. When dealing with EGS fracture networks, there are several major issues to consider, e.g., the minimization of hydraulic short circuits and losses of injected geothermal fluid to the surrounding formation, which in turn maximize heat extraction and economic production. Gel deployments to direct and control fluid flow have been extensively and successfully used in the oil industry for enhanced oil recovery. However, to the best of our knowledge, gels have not been applied to EGS to enhance heat extraction. In-situ gelling systems can either be organic or inorganic. Organic polymer gels are generally not thermostable to the typical temperatures of EGS systems. Inorganic gels, such as colloidal silica gels, however, may be ideal blocking agents for EGS systems if suitable gelation times can be achieved. In the current study, we explore colloidal silica gelation times and rheology as a function of SiO{sub 2} concentration, pH, salt concentration, and temperature, with preliminary results in the two-phase field above 100 C. Results at 25 C show that it may be possible to choose formulations that will gel in a reasonable and predictable amount of time at the temperatures of EGS systems.

  10. Vapor Sensing Using Conjugated Molecule-Linked Au Nanoparticles in a Silica Matrix

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dirk, Shawn M.; Howell, Stephen W.; Price, B. Katherine; Fan, Hongyou; Washburn, Cody; Wheeler, David R.; Tour, James M.; Whiting, Joshua; Simonson, R. Joseph

    2009-01-01

    Cross-linkedmore » assemblies of nanoparticles are of great value as chemiresistor-type sensors. Herein, we report a simple method to fabricate a chemiresistor-type sensor that minimizes the swelling transduction mechanism while optimizing the change in dielectric response. Sensors prepared with this methodology showed enhanced chemoselectivity for phosphonates which are useful surrogates for chemical weapons. Chemoselective sensors were fabricated using an aqueous solution of gold nanoparticles that were then cross-linked in the presence of the silica precursor, tetraethyl orthosilicate with the α -, ω -dithiolate (which is derived from the in situ deprotection of 1,4-di(Phenylethynyl- 4 ′ , 4 ″ -diacetylthio)-benzene ( 1 ) with wet triethylamine). The cross-linked nanoparticles and silica matrix were drop coated onto interdigitated electrodes having 8  μ m spacing. Samples were exposed to a series of analytes including dimethyl methylphosphonate (DMMP), octane, and toluene. A limit of detection was obtained for each analyte. Sensors assembled in this fashion were more sensitive to dimethyl methylphosphonate than to octane by a factor of 1000.« less

  11. Study on the thermal resistance in secondary particles chain of silica aerogel by molecular dynamics simulation

    SciTech Connect (OSTI)

    Liu, M. [Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing100190 (China); Department of Physics, University of Chinese Academy of Sciences, Beijing 100049 (China); Qiu, L., E-mail: qiulin111@sina.com, E-mail: jzzhengxinghua@163.com; Zheng, X. H., E-mail: qiulin111@sina.com, E-mail: jzzhengxinghua@163.com; Zhu, J.; Tang, D. W. [Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing100190 (China)

    2014-09-07

    In this article, molecular dynamics simulation was performed to study the heat transport in secondary particles chain of silica aerogel. The two adjacent particles as the basic heat transport unit were modelled to characterize the heat transfer through the calculation of thermal resistance and vibrational density of states (VDOS). The total thermal resistance of two contact particles was predicted by non-equilibrium molecular dynamics simulations (NEMD). The defects were formed by deleting atoms in the system randomly first and performing heating and quenching process afterwards to achieve the DLCA (diffusive limited cluster-cluster aggregation) process. This kind of treatment showed a very reasonable prediction of thermal conductivity for the silica aerogels compared with the experimental values. The heat transport was great suppressed as the contact length increased or defect concentration increased. The constrain effect of heat transport was much significant when contact length fraction was in the small range (<0.5) or the defect concentration is in the high range (>0.5). Also, as the contact length increased, the role of joint thermal resistance played in the constraint of heat transport was increasing. However, the defect concentration did not affect the share of joint thermal resistance as the contact length did. VDOS of the system was calculated by numerical method to characterize the heat transport from atomic vibration view. The smaller contact length and greater defect concentration primarily affected the longitudinal acoustic modes, which ultimately influenced the heat transport between the adjacent particles.

  12. Pore-structure determinations of silica aerogels by {sup 129}Xe NMR spectroscopy and imaging.

    SciTech Connect (OSTI)

    Gregory, D. M.; Gerald, R. E., II; Botto, R. E.; Chemistry

    1998-04-01

    Silica aerogels represent a new class of open-pore materials with pore dimensions on a scale of tens of nanometers, and are thus classified as mesoporous materials. In this work, we show that the combination of NMR spectroscopy and chemical-shift selective magnetic resonance imaging (MRI) can resolve some of the important aspects of the structure of silica aerogels. The use of xenon as a gaseous probe in combination with spatially resolved NMR techniques is demonstrated to be a powerful, new approach for characterizing the average pore structure and steady-state spatial distributions of xenon atoms in different physicochemical environments. Furthermore, dynamic NMR magnetization transfer experiments and pulsed-field gradient (PFG) measurements have been used to characterize exchange processes and diffusive motion of xenon in samples at equilibrium. In particular, this new NMR approach offers unique information and insights into the nanoscopic pore structure and microscopic morphology of aerogels and the dynamical behavior of occluded adsorbates. MRI provides spatially resolved information on the nature of the flaw regions found in these materials. Pseudo-first-order rate constants for magnetization transfer among the bulk and occluded xenon phases indicate xenon-exchange rate constants on the order of 1 s-1 for specimens having volumes of 0.03 cm3. PFG diffusion measurements show evidence of anisotropic diffusion for xenon occluded within aerogels, with nominal self-diffusivity coefficients on the order of D= 10-3cm2/s.

  13. Hyperpolarized Xe-129 NMR Investigation of Ammonia Borane in Mesoporous Silica

    SciTech Connect (OSTI)

    Wang, Li Q.; Karkamkar, Abhijeet J.; Autrey, Thomas; Exarhos, Gregory J.

    2009-04-23

    Hyperpolarized (HP) 129Xe NMR was used for the first time to probe the porosity for nanophase ammonium borane (AB) infused in mesoporous silica (MCM). Variable temperature HP 129Xe NMR measurements have been systematically carried out on a series of AB:MCM materials with different AB loading. Three distinct types of pore environments are clearly evident: pristine mesopores; pores coated with AB inside the meso-channels, and inter-particle spacing formed from AB aggregates outside the meso-channels. We found similarly uniform coating of AB on mesoporous silica channels with 1:2 and 1:1 AB:MCM loading (ratio of weight percent). When the loading of AB to MCM is larger than 1:1, AB starts to aggregate outside the meso-channels. Further increases in loading (? 3:1) result in the formation of partially blocked meso-channels as a result of excessive AB loading. The detailed information obtained from this study on how supported AB resides in nanoporous channels and how it evolves with the increase of AB loading is helpful for rational design of novel materials with optimal hydrogen storage and release properties.

  14. Interfacial aggregation of a nonionic surfactant: Effect on the stability of silica suspensions

    SciTech Connect (OSTI)

    Giordano-Palmino, F.; Denoyel, R.; Rouquerol, J. . Centre de thermodynamique et Microcalorimetrie)

    1994-06-01

    Nonionic surfactants are in widespread use in technological applications such as flotation, detergency, suspension stabilization (paints, ceramic preparation, pharmaceuticals, cosmetics), and enhanced oil recovery. The adsorption of the nonionic surfactant TX 100 in two silica suspensions (Ludox HS40 and Syton W30) has been studied with the aim of relating the structure of the adsorbed layer to the stability of the suspension. First, a thermodynamic study based on the determination of adsorption isotherms and displacement enthalpies as a function of pH and solid/liquid ratio was carried out and lead to the conclusion that such a surfactant forms micelle-like aggregates on the silica surface. Then, a stability study based on visual observation, turbidimetry, and particle size determination (by photon correlation spectroscopy) was performed in order to determine the TX 100 concentration range in which flocculation occurs. Considering that the surface is covered with micelle-like aggregates in the flocculation range and that the [zeta]-potential (determined by microelectrophoresis) has varied only slightly at the onset of flocculation, it is concluded that the flocculation mechanism is a bridging of particles by surface micelles. This bridging of particles by aggregates similar in size and shape could be an explanation of the presence, in such systems, of optimum flocculation at half surface coverage.

  15. Formation of conical emission of supercontinuum during filamentation of femtosecond laser radiation in fused silica

    SciTech Connect (OSTI)

    Kandidov, V. P. Smetanina, E. O.; Dormidonov, A. E.; Kompanets, V. O.; Chekalin, S. V.

    2011-09-15

    The formation of conical emission of supercontinuum during filamentation of femtosecond laser pulses with central wavelengths in a wide range is studied experimentally, numerically, and analytically. The frequency-angular intensity distribution of the spectral components of conical emission is determined by the interference of supercontinuum emission in a filament of a femtosecond laser pulse. The interference of supercontinuum emission has a general character, exists at different regimes of group velocity dispersion, gives rise to the fine spectral structure after the pulse splitting into subpulses and the formation of a distributed supercontinuum source in an extended filament, and causes the decomposition of the continuous spectrum of conical emission into many high-contrast maxima after pulse refocusing in the filament. In spectroscopic studies with a tunable femtosecond radiation source based on a TOPAS parametric amplifier, we used an original scheme with a wedge fused silica sample. Numerical simulations have been performed using a system of equations of nonlinear-optical interaction of laser radiation under conditions of diffraction, wave nonstationarity, and material dispersion in fused silica. The analytic study is based on the interference model of formation of conical emission by supercontinuum sources moving in a filament.

  16. Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition – A facile method for encapsulation of diverse cell types in silica matrices

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Johnston, Robert; Rogelj, Snezna; Harper, Jason C.; Tartis, Michaelann

    2014-12-12

    In nature, cells perform a variety of complex functions such as sensing, catalysis, and energy conversion which hold great potential for biotechnological device construction. However, cellular sensitivity to ex vivo environments necessitates development of bio–nano interfaces which allow integration of cells into devices and maintain their desired functionality. In order to develop such an interface, the use of a novel Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition process for whole cell encapsulation in silica was explored. In SG-CViL, the high vapor pressure of tetramethyl orthosilicate (TMOS) is utilized to deliver silica into an aqueous medium, creating a silica sol. Cellsmore » are then mixed with the resulting silica sol, facilitating encapsulation of cells in silica while minimizing cell contact with the cytotoxic products of silica generating reactions (i.e. methanol), and reduce exposure of cells to compressive stresses induced from silica condensation reactions. Using SG-CVIL, Saccharomyces cerevisiae (S. cerevisiae) engineered with an inducible beta galactosidase system were encapsulated in silica solids and remained both viable and responsive 29 days post encapsulation. By tuning SG-CViL parameters, thin layer silica deposition on mammalian HeLa and U87 human cancer cells was also achieved. Furthermore, the ability to encapsulate various cell types in either a multi cell (S. cerevisiae) or a thin layer (HeLa and U87 cells) fashion shows the promise of SG-CViL as an encapsulation strategy for generating cell–silica constructs with diverse functions for incorporation into devices for sensing, bioelectronics, biocatalysis, and biofuel applications.« less

  17. Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition – A facile method for encapsulation of diverse cell types in silica matrices

    SciTech Connect (OSTI)

    Johnston, Robert; Rogelj, Snezna; Harper, Jason C.; Tartis, Michaelann

    2014-12-12

    In nature, cells perform a variety of complex functions such as sensing, catalysis, and energy conversion which hold great potential for biotechnological device construction. However, cellular sensitivity to ex vivo environments necessitates development of bio–nano interfaces which allow integration of cells into devices and maintain their desired functionality. In order to develop such an interface, the use of a novel Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition process for whole cell encapsulation in silica was explored. In SG-CViL, the high vapor pressure of tetramethyl orthosilicate (TMOS) is utilized to deliver silica into an aqueous medium, creating a silica sol. Cells are then mixed with the resulting silica sol, facilitating encapsulation of cells in silica while minimizing cell contact with the cytotoxic products of silica generating reactions (i.e. methanol), and reduce exposure of cells to compressive stresses induced from silica condensation reactions. Using SG-CVIL, Saccharomyces cerevisiae (S. cerevisiae) engineered with an inducible beta galactosidase system were encapsulated in silica solids and remained both viable and responsive 29 days post encapsulation. By tuning SG-CViL parameters, thin layer silica deposition on mammalian HeLa and U87 human cancer cells was also achieved. Furthermore, the ability to encapsulate various cell types in either a multi cell (S. cerevisiae) or a thin layer (HeLa and U87 cells) fashion shows the promise of SG-CViL as an encapsulation strategy for generating cell–silica constructs with diverse functions for incorporation into devices for sensing, bioelectronics, biocatalysis, and biofuel applications.

  18. U-Pb ages of secondary silica at Yucca Mountain, Nevada: implications for the paleohydrology of the unsaturated zone

    SciTech Connect (OSTI)

    Neymark, L.A.; Amelin, Y.; Paces, J.B.; Peterman, Z.E.

    2002-06-01

    This paper reports the results of analyses of uranium, thorium, and lead in layers of opal and chalcedony from individual mm- to cm-thick calcite and silica coatings at Yucca Mountain, Nevada, USA, a site that is being evaluated for a potential high-level nuclear waste repository.

  19. HF-based etching processes for improving laser damage resistance of fused silica optical surfaces

    SciTech Connect (OSTI)

    Suratwala, T I; Miller, P E; Bude, J D; Steele, R A; Shen, N; Monticelli, M V; Feit, M D; Laurence, T A; Norton, M A; Carr, C W; Wong, L L

    2010-02-23

    The effect of various HF-based etching processes on the laser damage resistance of scratched fused silica surfaces has been investigated. Conventionally polished and subsequently scratched fused silica plates were treated by submerging in various HF-based etchants (HF or NH{sub 4}F:HF at various ratios and concentrations) under different process conditions (e.g., agitation frequencies, etch times, rinse conditions, and environmental cleanliness). Subsequently, the laser damage resistance (at 351 or 355 nm) of the treated surface was measured. The laser damage resistance was found to be strongly process dependent and scaled inversely with scratch width. The etching process was optimized to remove or prevent the presence of identified precursors (chemical impurities, fracture surfaces, and silica-based redeposit) known to lead to laser damage initiation. The redeposit precursor was reduced (and hence the damage threshold was increased) by: (1) increasing the SiF{sub 6}{sup 2-} solubility through reduction in the NH4F concentration and impurity cation impurities, and (2) improving the mass transport of reaction product (SiF{sub 6}{sup 2-}) (using high frequency ultrasonic agitation and excessive spray rinsing) away from the etched surface. A 2D finite element crack-etching and rinsing mass transport model (incorporating diffusion and advection) was used to predict reaction product concentration. The predictions are consistent with the experimentally observed process trends. The laser damage thresholds also increased with etched amount (up to {approx}30 {micro}m), which has been attributed to: (1) etching through lateral cracks where there is poor acid penetration, and (2) increasing the crack opening resulting in increased mass transport rates. With the optimized etch process, laser damage resistance increased dramatically; the average threshold fluence for damage initiation for 30 {micro}m wide scratches increased from 7 to 41 J/cm{sup 2}, and the statistical probability of damage initiation at 12 J/cm{sup 2} of an ensemble of scratches decreased from {approx}100 mm{sup -1} of scratch length to {approx}0.001 mm{sup -1}.

  20. Activators generated by electron transfer for atom transfer radical polymerization of styrene in the presence of mesoporous silica nanoparticles

    SciTech Connect (OSTI)

    Khezri, Khezrollah; Roghani-Mamaqani, Hossein

    2014-11-15

    Graphical abstract: Effect of mesoporous silica nanoparticles (MCM-41) on the activator generated by electron transfer for atom transfer radical polymerization (AGET ATRP) is investigated. Decrement of conversion and number average molecular weight and also increment of polydispersity index (PDI) values are three main results of addition of MCM-41 nanoparticles. Incorporation of MCM-41 nanoparticles in the polystyrene matrix can clearly increase thermal stability and decrease glass transition temperature of the nanocomposites. - Highlights: • Spherical morphology, hexagonal structure, and high surface area with regular pore diameters of the synthesized MCM-41 nanoparticles are examined. • AGET ATRP of styrene in the presence of MCM-41 nanoparticles is performed. • Effect of MCM-41 nanoparticles addition on the polymerization rate, conversion and molecular weights of the products are discussed. • Improvement in thermal stability of the nanocomposites and decreasing T{sub g} values was also observed by incorporation of MCM-41 nanoparticles. - Abstract: Activator generated by electron transfer for atom transfer radical polymerization was employed to synthesize well-defined mesoporous silica nanoparticles/polystyrene composites. Inherent features of spherical mesoporous silica nanoparticles were evaluated by nitrogen adsorption/desorption isotherm, X-ray diffraction and scanning electron microscopy analysis techniques. Conversion and molecular weight evaluations were carried out using gas and size exclusion chromatography respectively. By the addition of only 3 wt% mesoporous silica nanoparticles, conversion decreases from 81 to 58%. Similarly, number average molecular weight decreases from 17,116 to 12,798 g mol{sup −1}. However, polydispersity index (PDI) values increases from 1.24 to 1.58. A peak around 4.1–4.2 ppm at proton nuclear magnetic resonance spectroscopy results clearly confirms the living nature of the polymerization. Thermogravimetric analysis shows that thermal stability of the nanocomposites increases by adding nanoparticles content. Decrease of glass transition temperature is also demonstrated by the addition of 3 wt% of silica nanoparticles according to the differential scanning calorimetry results.

  1. Hydrogen generation systems utilizing sodium silicide and sodium silica gel materials

    DOE Patents [OSTI]

    Wallace, Andrew P.; Melack, John M.; Lefenfeld, Michael

    2015-07-14

    Systems, devices, and methods combine reactant materials and aqueous solutions to generate hydrogen. The reactant materials can sodium silicide or sodium silica gel. The hydrogen generation devices are used in fuels cells and other industrial applications. One system combines cooling, pumping, water storage, and other devices to sense and control reactions between reactant materials and aqueous solutions to generate hydrogen. Multiple inlets of varied placement geometries deliver aqueous solution to the reaction. The reactant materials and aqueous solution are churned to control the state of the reaction. The aqueous solution can be recycled and returned to the reaction. One system operates over a range of temperatures and pressures and includes a hydrogen separator, a heat removal mechanism, and state of reaction control devices. The systems, devices, and methods of generating hydrogen provide thermally stable solids, near-instant reaction with the aqueous solutions, and a non-toxic liquid by-product.

  2. Reduction of damage initiation density in fused silica optics via UV laser conditioning

    DOE Patents [OSTI]

    Peterson, John E.; Maricle, Stephen M.; Brusasco, Raymond M.; Penetrante, Bernardino M.

    2004-03-16

    The present invention provides a method for reducing the density of sites on the surface of fused silica optics that are prone to the initiation of laser-induced damage, resulting in optics which have far fewer catastrophic defects and are better capable of resisting optical deterioration upon exposure for a long period of time to a high-power laser beam having a wavelength of about 360 nm or less. The initiation of laser-induced damage is reduced by conditioning the optic at low fluences below levels that normally lead to catastrophic growth of damage. When the optic is then irradiated at its high fluence design limit, the concentration of catastrophic damage sites that form on the surface of the optic is greatly reduced.

  3. Liquidsolid phase transition of hydrogen and deuterium in silica aerogel

    SciTech Connect (OSTI)

    Van Cleve, E.; Worsley, M. A.; Kucheyev, S. O.

    2014-10-28

    Behavior of hydrogen isotopes confined in disordered low-density nanoporous solids remains essentially unknown. Here, we use relaxation calorimetry to study freezing and melting of H{sub 2} and D{sub 2} in an ?85%-porous base-catalyzed silica aerogel. We find that liquidsolid transition temperatures of both isotopes inside the aerogel are depressed. The phase transition takes place over a wide temperature range of ?4?K and non-trivially depends on the liquid filling fraction, reflecting the broad pore size distribution in the aerogel. Undercooling is observed for both H{sub 2} and D{sub 2} confined inside the aerogel monolith. Results for H{sub 2} and D{sub 2} are extrapolated to tritium-containing hydrogens with the quantum law of corresponding states.

  4. Sealing 304L to lithia-alumina-silica (LAS) glass-ceramics

    SciTech Connect (OSTI)

    Moddeman, W.E.; Pence, R.E.; Massey, R.T.; Cassidy, R.T.; Kramer, D.P.

    1989-12-31

    The formation of a crack-free between 300 series stainless steel and a glass-ceramic is difficult owing to the high coefficients of thermal expansion of the stainless steels. Lithia-alumina-silica (LAS) glass-ceramics were successfully developed and sealed to 304L stainless steel. These crack-free seals were fabricated by two techniques: by adjusting the parent glass composition (reducing the Al{sub 2}O{sub 3} content), or by adjusting the sealing/crystallization cycle. All seals were hermetic, with leak rates < 10{sup -8} cc/sec STP helium. CTE and alloy yield strengths are given which show the feasibility of using these materials to make feedthroughs, pyrotechnic components, etc. Metallography, SEM, and wavelength dispersive spectroscopy show the quality and integrity of the glass-ceramic/stainless steel interface. These data are compared to those on the Inconel 718/LAS-glass seal system.

  5. Measurement of optical scattered power from laser-induced shallow pits on silica

    SciTech Connect (OSTI)

    Feigenbaum, Eyal; Nielsen, Norman; Matthews, Manyalibo J.

    2015-10-01

    We describe a model for far-field scattered power and irradiance by a silica glass slab with a shallow-pitted exit surface and is experimentally validated. The comparison to the model is performed using a precisely micromachined ensemble of ~11 μm wide laser ablated shallow pits producing 1% of the incident beam scatter in a 10 mrad angle. This series of samples with damage initiations and laser-induced shallow pits resulting from 351 nm, 5 ns pulsed laser cleaning of metal microparticles at different fluences between 2 J/cm2 and 11 J/cm2 are characterized as well and found in good agreement with model predictions.

  6. Transparent ultralow-density silica aerogels prepared by a two-step sol-gel process

    SciTech Connect (OSTI)

    Tillotson, T.M.; Hrubesh, L.W.

    1991-09-01

    Conventional silica sol-gel chemistry is limited for the production of transparent ultralow-density aerogels because (1) gelation is either slow or unachievable, and (2) even when gelation is achieved, the large pore sizes result in loss of transparency for aerogels <.020 g/cc. We have developed a two-step sol-gel process that circumvents the limitations of the conventional process and allows the formation of ultralow-density gels in a matter of hours. we have found that the gel time is dependent on the catalyst concentration. After supercritical extraction, the aerogels are transparent, uncracked tiles with densities as low as .003 g/cc. 6 figs., 11 refs.

  7. Determination of external surface area of ultrahigh silica zeolites by the paramagnetic net methods

    SciTech Connect (OSTI)

    Lunina, E.V.; Lebedeva, O.E.; Motina, A.D.; Lobza, G.V.; Latysheva, L.E.; Chenets, V.V.

    1988-02-01

    We propose a new method for determining the surface area of large-pore adsorbents which do not contain paramagnetic impurities: the paramagnetic net method. The method is based on determining the average distances between paramagnetic centers which are randomly and uniformly distributed over the adsorbent surface. As the paramagnetic probe, we use the stable nitroxide radical 2,2,6,6-tetramethyl-piperidine-1-oxyl. We show that the method is applicable to measurement of the external surface area of crystallites of ultrahigh silica zeolites. Decationation leads to its increase without an increase in the contribution of the amorphous phase. This effect is explained by dispersal of concretions of small crystallites during ion exchange.

  8. Density hysteresis of heavy water confined in a nanoporous silica matrix

    SciTech Connect (OSTI)

    Zhang, Yang; Faraone, Antonio; Kamitakahara, William; Liu, Kao-Hsiang; Mou, Chung-Yuan; Leao, Juscelino B; Chang, Sung C; Chen, Sow-hsin H

    2011-01-01

    A neutron scattering technique was developed to measure the density of heavy water confined in a nanoporous silica matrix in a temperature-pressure range, from 300 to 130 K and from 1 to 2,900 bars, where bulk water will crystalize. We observed a prominent hysteresis phenomenon in the measured density profiles between warming and cooling scans above 1,000 bars. We inter- pret this hysteresis phenomenon as support (although not a proof) of the hypothetical existence of a first-order liquid liquid phase transition of water that would exist in the macroscopic system if crystallization could be avoided in the relevant phase region. Moreover, the density data we obtained for the confined heavy water under these conditions are valuable to large communities in biology and earth and planetary sciences interested in phenomena in which nanometer-sized water layers are involved.

  9. Measurement of optical scattered power from laser-induced shallow pits on silica

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Feigenbaum, Eyal; Nielsen, Norman; Matthews, Manyalibo J.

    2015-10-01

    We describe a model for far-field scattered power and irradiance by a silica glass slab with a shallow-pitted exit surface and is experimentally validated. The comparison to the model is performed using a precisely micromachined ensemble of ~11 μm wide laser ablated shallow pits producing 1% of the incident beam scatter in a 10 mrad angle. This series of samples with damage initiations and laser-induced shallow pits resulting from 351 nm, 5 ns pulsed laser cleaning of metal microparticles at different fluences between 2 J/cm2 and 11 J/cm2 are characterized as well and found in good agreement with model predictions.

  10. Hydrogen generation systems and methods utilizing sodium silicide and sodium silica gel materials

    DOE Patents [OSTI]

    Wallace, Andrew P.; Melack, John M.; Lefenfeld, Michael

    2015-08-11

    Systems, devices, and methods combine thermally stable reactant materials and aqueous solutions to generate hydrogen and a non-toxic liquid by-product. The reactant materials can sodium silicide or sodium silica gel. The hydrogen generation devices are used in fuels cells and other industrial applications. One system combines cooling, pumping, water storage, and other devices to sense and control reactions between reactant materials and aqueous solutions to generate hydrogen. Springs and other pressurization mechanisms pressurize and deliver an aqueous solution to the reaction. A check valve and other pressure regulation mechanisms regulate the pressure of the aqueous solution delivered to the reactant fuel material in the reactor based upon characteristics of the pressurization mechanisms and can regulate the pressure of the delivered aqueous solution as a steady decay associated with the pressurization force. The pressure regulation mechanism can also prevent hydrogen gas from deflecting the pressure regulation mechanism.

  11. Photoresponsive Release from Azobenzene-Modified Single Cubic Crystal NaCl/Silica Particles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jiang, Xingmao; Liu, Nanguo; Assink, Roger A.; Jiang, Yingbing; Brinker, C. Jeffrey

    2011-01-01

    Azobenzene ligands were uniformly anchored to the pore surfaces of nanoporous silica particles with single crystal NaCl using 4-(3-triethoxysilylpropylureido)azobenzene (TSUA). The functionalization delayed the release of NaCl significantly. The modified particles demonstrated a photocontrolled release by trans/cis isomerization of azobenzene moieties. The addition of amphiphilic solvents, propylene glycol (PG), propylene glycol propyl ether (PGPE), and dipropylene glycol propyl ether (DPGPE) delayed the release in water, although the wetting behavior was improved and the delay is the most for the block molecules with the longest carbon chain. The speedup by UV irradiation suggests a strong dependence of diffusion on the switchablemore » pore size. TGA, XRD, FTIR, and NMR techniques were used to characterize the structures.« less

  12. Controlled Release from Core-Shell Nanoporous Silica Particles for Corrosion Inhibition of Aluminum Alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jiang, Xingmao; Jiang, Ying-Bing; Liu, Nanguo; Xu, Huifang; Rathod, Shailendra; Shah, Pratik; Brinker, C. Jeffrey

    2011-01-01

    Ceriumore » m (Ce) corrosion inhibitors were encapsulated into hexagonally ordered nanoporous silica particles via single-step aerosol-assisted self-assembly. The core/shell structured particles are effective for corrosion inhibition of aluminum alloy AA2024-T3. Numerical simulation proved that the core-shell nanostructure delays the release process. The effective diffusion coefficient elucidated from release data for monodisperse particles in water was 1.0 × 10 − 14  m 2 s for Ce 3+ compared to 2.5 × 10 − 13  m 2 s for NaCl. The pore size, pore surface chemistry, and the inhibitor solubility are crucial factors for the application. Microporous hydrophobic particles encapsulating a less soluble corrosion inhibitor are desirable for long-term corrosion inhibition.« less

  13. Laser induced diffusion of ion-implanted bismuth in fused silica

    SciTech Connect (OSTI)

    Park, S.Y.; Weeks, R.A.; Zuhr, R.A.

    1994-12-31

    The near surface regions of optical grade fused silica discs (Spectrosil A) were modified by implantation with bismuth ions at 160 and 320 keV and at room temperature. The glasses implanted with a nominal dose of 6 {times} l0{sup 16} Bi{sup 2+} ions/cm{sup 2} were subsequently annealed with a 5 eV KrF pulsed excimer laser and by a furnace in oxygen atmosphere. Rutherford backscattering and optical absorption were measured before and after the anneals. Backscattering profiles after laser anneal showed shifts of the profiles toward the surface with decrease in retained dose. We attribute the diffusion of bismuth to Soret effect. Profiles of furnace annealed samples showed that the diffusion was both toward and away from the surface.

  14. Highly fluorescent silver nanoclusters in alumina-silica composite optical fiber

    SciTech Connect (OSTI)

    Halder, A.; Chattopadhyay, R.; Majumder, S.; Paul, M. C.; Das, S.; Bhadra, S. K.; Bysakh, S.; Unnikrishnan, M.

    2015-01-05

    An efficient visible fluorescent optical fiber embedded with silver nanoclusters (Ag-NCs) having size ∼1 nm, uniformly distributed in alumina-silica composite core glass, is reported. Fibers are fabricated in a repetitive controlled way through modified chemical vapour deposition process associated with solution doping technique. Fibers are drawn from the transparent preforms by conventional fiber drawing process. Structural characteristics of the doped fibers are studied using transmission electron microscopy and electron probe micro analysis. The oxidation state of Ag within Ag-NCs is investigated by X-ray photo electron spectroscopy. The observed significant fluorescence of the metal clusters in fabricated fibers is correlated with electronic model. The experimentally observed size dependent absorption of the metal clusters in fabricated fibers is explained with the help of reported results calculated by ab-initio density functional theory. These optical fibers may open up an opportunity of realizing tunable wavelength fiber laser without the help of rare earth elements.

  15. Effects of biogenic silica on acoustic and physical properties of clay-rich marine sediments

    SciTech Connect (OSTI)

    Tribble, J.S.; Mackenzie, F.T.; Urmos, J.; O'Brien, D.K.; Manghnani, M.H. )

    1992-06-01

    The physical properties of marine sediments are influenced by compaction and diagenesis during burial. Changes in mineralogy, chemistry, density, porosity, and microfabric all affect a sediment's acoustic and electrical properties. Sediments from the Japan Trench illustrate the dependence of physical properties on biogenic silica content. Increased opal-A content is correlated with increased porosity and decreased grain density and compressional velocity. Variations with depth in opal-A concentration are therefore reflected in highly variable and, at times, inverse velocity-depth gradients. The diagenetic conversion of opal-A to opal-CT and finally to quartz was investigated at a site in the San Miguel Gap, California. Distinct changes in microfabric, particularly in the porosity distribution, accompany the diagenetic reactions and contribute to a sharp velocity discontinuity at the depth of the opal-A to opal-CT conversion. Evaluation of this reaction at several sites indicates a systematic dependence on temperature and age in clay-rich and moderately siliceous sediments. In ocean margin regions, sediments are buried rapidly, and opal-A may be converted to opal-CT in less than 10 m.y. Temperatures of conversion range from 30{degree} to 50{degree}C. Much longer times (>40 m.y.) are required to complete the conversion in open ocean deposits which are exposed to temperatures less than 15{degree}C. In the absence of silica diagenesis, velocity-depth gradients of most clay-rich and moderately siliceous sediments fall in the narrow range of 0.15 to 0.25 km/s/km which brackets the gradient (0.18 km/s/km) determined for a type pelagic clay section. Relationships such as these can be useful in unraveling the history of a sediment sequence, including the evolution with time of reservoir properties and seismic signatures.

  16. Does elevated CO2 alter silica uptake in trees?

    SciTech Connect (OSTI)

    Fulweiler, Robinson W.; Maguire, Timothy J.; Carey, Joanna C.; Finzi, Adrien C.

    2015-01-13

    Human activities have greatly altered global carbon (C) and Nitrogen (N) cycling. In fact, atmospheric concentrations of carbon dioxide (CO2) have increased 40% over the last century and the amount of N cycling in the biosphere has more than doubled. In an effort to understand how plants will respond to continued global CO2 fertilization, longterm free-air CO2 enrichment experiments have been conducted at sites around the globe. Here we examine how atmospheric CO2 enrichment and N fertilization affects the uptake of silicon (Si) in the Duke Forest, North Carolina, a stand dominated by Pinus taeda (loblolly pine), and five hardwood species. Specifically, we measured foliar biogenic silica concentrations in five deciduous and one coniferous species across three treatments: CO2 enrichment, N enrichment, and N and CO2 enrichment. We found no consistent trends in foliar Si concentration under elevated CO2, N fertilization, or combined elevated CO2 and N fertilization. However, two-thirds of the tree species studied here have Si foliar concentrations greater than well-known Si accumulators, such as grasses. Based on net primary production values and aboveground Si concentrations in these trees, we calculated forest Si uptake rates under control and elevated CO2 concentrations. Due largely to increased primary production, elevated CO2 enhanced the magnitude of Si uptake between 20 and 26%, likely intensifying the terrestrial silica pump. This uptake of Si by forests has important implications for Si export from terrestrial systems, with the potential to impact C sequestration and higher trophic levels in downstream ecosystems.

  17. U-Pb Ages of Secondary Silica at Yucca Mountain, Nevada: Implications for the Paleohydrology of the Unsaturated Zone

    SciTech Connect (OSTI)

    L.A. Neymark; Y. Amelin; J.B. Paces; Z.E. Peterman

    2001-08-20

    U, Th, and Pb isotopes were analyzed in layers of opal and chalcedony from individual millimeter- to centimeter-thick calcite and silica coatings at Yucca Mountain, Nevada, USA, a site that is being evaluated for a potential high-level nuclear waste repository. These calcite and silica coatings on fractures and in lithophysal cavities in Miocene-age tuffs in the unsaturated zone (UZ) precipitated from descending water and record a long history of percolation through the UZ. Opal and chalcedony have high concentrations of U (10 to 780 ppm) and low concentrations of common Pb as indicated by large values of {sup 206}Pb/{sup 204}Pb (up to 53,806), thus making them suitable for U-Pb age determinations. Interpretations of U-Pb isotopes in opal samples at Yucca Mountain are complicated by the incorporation of excess {sup 234}U at the time of mineral formation, resulting in reverse discordance of U-Pb ages. However, the {sup 207}Pb/{sup 235}U ages are much less affected by deviation from initial secular equilibrium and provide reliable ages of most silica deposits between 0.6 and 9.8 Ma. For chalcedony subsamples showing normal age discordance, these ages may represent minimum times of deposition. Typically, {sup 207}Pb/{sup 235}U ages are consistent with the microstratigraphy in the mineral coating samples, such that the youngest ages are for subsamples from outer layers, intermediate ages are from inner layers, and oldest ages are from innermost layers. {sup 234}U and {sup 230}Th in most silica layers deeper in the coatings are in secular equilibrium with {sup 238}U, which is consistent with their old age and closed system behavior during the past 0.5 m.y. U-Pb ages for subsamples of silica layers from different microstratigraphic positions in individual calcite and silica coating samples collected from lithophysal cavities in the welded part of the Topopah Spring Tuff yield slow long-term average depositional rates of 1 to 5 mm/m.y. These data imply that the deeper parts of the UZ at Yucca Mountain maintained long-term hydrologic stability over the past 10 m.y. despite significant climate variations. U-Pb ages for subsamples of silica layers from different microstratigraphic positions in individual calcite and silica coating samples collected from fractures in the welded part of the overlying Tiva Canyon Tuff indicate larger long-term average depositional rates up to 23 mm/m.y. and an absence of recently deposited materials (ages of outermost layers are 3-5 Ma). These differences between the characteristics of the coatings for samples from the shallower and deeper parts of the UZ may indicate that the nonwelded tuffs (PTn), located between the welded parts of the Tiva Canyon and Topopah Spring Tuffs, play an important role in moderating UZ flow.

  18. A comparative study of inverted-opal titania photonic crystals made from polymer and silica colloidal crystal templates

    SciTech Connect (OSTI)

    Kuai, S.-L.; Truong, V.-V.; Hache, Alain; Hu, X.-F.

    2004-12-01

    Photonic crystals with an inverted-opal structure using polymer and silica colloidal crystal templates were prepared and compared. We show that the behaviors of the template during the removal process and heat treatment are determinant factors on the crystal formation. While both templates result in ordered macroporous structures, the optical quality in each case is quite different. The removal of the polymer template by sintering causes a large shrinkage of the inverted framework and produces a high density of cracks in the sample. With a silica template, sintering actually improves the quality of the inverted structure by enhancing the template's mechanical stability, helping increase the filling fraction, and consolidating the titania framework. The role of the other important factors such as preheating and multiple infiltrations is also investigated.

  19. Mesoporous Silica Films with Long-Range Order Prepared from Strongly Segregated Block Copolymer/Homopolymer Blend Templates

    SciTech Connect (OSTI)

    Tirumala, Vijay R.; Pai, Rajaram A.; Agarwal, Sumit; Testa, Jason J.; Bhatnagar, Gaurav; Romang, Alvin H.; Chandler, Curran; Gorman, Brian P.; Jones, Ronald L.; Lin, Eric K.; Watkins, James J.

    2008-06-30

    Well-ordered mesoporous silica films were prepared by infusion and selective condensation of Si alkoxides within preorganized block copolymer/homopolymer blend templates using supercritical CO{sub 2} as the delivery medium. The morphologies of the mesoporous silica films reflect significant improvements in the strength of segregation and long-range order of template blends of poly(ethylene oxide-b-propylene oxide-b-ethylene oxide) triblock copolymers with selectively associating homopolymers such as poly(acrylic acid) or poly(4-hydroxystyrene) prior as compared to templates comprised of the neat copolymer. Control over film porosity, pore ordering, and morphology of the films is achieved through simple variations in the homopolymer concentration. The films were characterized using X-ray reflectivity, small-angle X-ray scattering, and transmission electron microscopy.

  20. Atomistic Simulations of Displacement Cascades in Fused Silica: It is Compared with Different Concentration of H in the Bulk

    SciTech Connect (OSTI)

    Mota, Fernando; Perlado, Jose Manuel; Caturla, Maria Jose; Ibarra, Angel; Molla, Joaquin

    2008-07-01

    Amorphous Silica is one of candidate materials for both final focusing optics of lasers for NIF and future inertial fusion reactors and diagnostics of the Safety and Control Systems of the ITER machine as well as DEMO magnetic fusion reactors. In operation, these materials will be exposed to high neutron irradiation fluxes and it can result in point defect and vary the optical absorption, that is, degradation of the optical properties. In this paper we present molecular dynamic simulation of displacement cascade due to energetic recoils in amorphous silica without hydrogen atoms and with 1% of hydrogen atoms trying to identify defects formation. We have made a statistics of the different kind of defects at different energy of primary knock-on atoms (PKA). The range of studied PKA energies are from 400 eV to 3.5 keV and it is made to both component of this material Silicon and Oxygen. (authors)

  1. Immobilization of cellulase on a silica gel substrate modified using a 3-APTES self-assembled monolayer

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Dezhi; Hegab, Hisham E.; Lvov, Yuri; Snow, L. Dale; Palmer, James

    2016-01-20

    Cellulase was immobilized onto silica gel surfaces pretreated with (3-aminopropyl) triethoxy-silane (3-APTES), and glutaraldehyde (GA) was used as a cross-linker. A carboxymethyl cellulose sodium salt (CMC) solution was used for activity experiments. Protein assay was performed to determine the mass immobilized and compare with free enzyme. Cellulase was successfully demonstrated to be immobilized on the modified silica gel surface, and no detectable amount of enzyme was stripped off during the hydrolysis of the CMC solution. The specific activity of the immobilized cellulase is 7 ± 2 % compared to the similar amount of free cellulase. Significant activity over multiple reusesmore » was observed. The seventh batch achieved 82 % activity of the initial batch, and the fifteenth batch retained 31 %. Lastly, it was observed that the immobilized cellulase retained 48 % of its initial activity after 4 days, and 22 % even after 14 days.« less

  2. BIMETALLIC NANOCATALYSTS IN MESOPOROUS SILICA FOR HYDROGEN PRODUCTION FROM COAL-DERIVED FUELS

    SciTech Connect (OSTI)

    Kuila, Debasish; Ilias, Shamsuddin

    2013-02-13

    In steam reforming reactions (SRRs) of alkanes and alcohols to produce H{sub 2}, noble metals such as platinum (Pt) and palladium (Pd) are extensively used as catalyst. These metals are expensive; so, to reduce noble-metal loading, bi-metallic nanocatalysts containing non-noble metals in MCM-41 (Mobil Composition of Material No. 41, a mesoporous material) as a support material with high-surface area were synthesized using one-pot hydrothermal procedure with a surfactant such as cetyltrimethylammonium bromide (CTAB) as a template. Bi-metallic nanocatalysts of Pd-Ni and Pd-Co with varying metal loadings in MCM-41 were characterized by x-ray diffraction (XRD), N{sub 2} adsorption, and Transmission electron microscopy (TEM) techniques. The BET surface area of MCM-41 (~1000 m{sup 2}/g) containing metal nanoparticles decreases with the increase in metal loading. The FTIR studies confirm strong interaction between Si-O-M (M = Pd, Ni, Co) units and successful inclusion of metal into the mesoporous silica matrix. The catalyst activities were examined in steam reforming of methanol (SRM) reactions to produce hydrogen. Reference tests using catalysts containing individual metals (Pd, Ni and Co) were also performed to investigate the effect of the bimetallic system on the catalytic behavior in the SRM reactions. The bimetallic system remarkably improves the hydrogen selectivity, methanol conversion and stability of the catalyst. The results are consistent with a synergistic behavior for the Pd-Ni-bimetallic system. The performance, durability and thermal stability of the Pd-Ni/MCM-41 and Pd-Co/MCM-41 suggest that these materials may be promising catalysts for hydrogen production from biofuels. A part of this work for synthesis and characterization of Pd-Ni-MCM-41 and its activity for SRM reactions has been published (“Development of Mesoporous Silica Encapsulated Pd-Ni Nanocatalyst for Hydrogen Production” in “Production and Purification of Ultraclean Transportation Fuels”; Hu, Y., et al.; ACS Symposium Series; American Chemical Society: Washington, DC, 2011.)

  3. Silane Modification of Glass and Silica Surfaces to Obtain Equally Oil-Wet Surfaces in Glass-Covered Silicon Micromodel Applications

    SciTech Connect (OSTI)

    Grate, Jay W.; Warner, Marvin G.; Pittman, Jonathan W.; Dehoff, Karl J.; Wietsma, Thomas W.; Zhang, Changyong; Oostrom, Martinus

    2013-08-05

    The wettability of silicon and glass surfaces can be modified by silanization. However, similar treatments of glass and silica surfaces using the same silane do not necessarily yield the same wettability as determined by the oil-water contact angle. In this technical note, surface cleaning pretreatments were investigated to determine conditions that would yield oil-wet surfaces on glass with similar wettability to silica surfaces treated with the same silane, and both air-water and oil-water contact angles were determined. Air-water contact angles were less sensitive to differences between silanized silica and glass surfaces, often yielding similar values while the oil-water contact angles were quite different. Borosilicate glass surfaces cleaned with standard cleaning solution 1 (SC1) yield intermediate-wet surfaces when silanized with hexamethyldisilazane, while the same cleaning and silanization yields oil-wet surfaces on silica. However, cleaning glass in boiling concentrated nitric acid creates a surface that can be silanized to obtain oil-wet surfaces using HDMS. Moreover, this method is effective on glass with prior thermal treatment at an elevated temperature of 400oC. In this way, silica and glass can be silanized to obtain equally oil-wet surfaces using HMDS. It is demonstrated that pretreatment and silanization is feasible in silicon-silica/glass micromodels previously assembled by anodic bonding, and that the change in wettability has a significant observable effect on immiscisble fluid displacements in the pore network.

  4. Formation mechanisms of precursors of radiation-induced color centers during fabrication of silica optical fiber preform

    SciTech Connect (OSTI)

    Tomashuk, A. L.; Zabezhailov, M. O.

    2011-04-15

    Samples in the form of transverse slices of rods and optical fiber preforms made from the high-hydroxyl KU-1 and low-hydroxyl KS-4V silica by the plasma outside deposition (POD) method are {gamma}-irradiated to a dose of {approx}1 MGy (SiO{sub 2}). Next, the radial dependences of the radiation-induced nonbridging oxygen hole center (NBOHC) and E'-center (three-coordinated silicon) in the samples are constructed by measuring the amplitudes of their 4.8 and 5.8 eV absorption bands, respectively. Based on the analysis of these radial dependences and considering the temperature and duration of the preirradiation heat treatment of the rods and preforms at the POD-installation, we determine the ratio of the oscillator strengths of the above bands and the microscopic thermoinduced processes occurring during preform fabrication and producing precursors of the radiation-induced NBOHC and E'-center. These processes are found to be associated with the escape of either H{sub 2} or H{sub 2}O from neighboring hydroxyl groups, and, therefore, can occur in high-hydroxyl silica only. It is concluded that enhancement of the radiation resistance of high-hydroxyl silica optical fibers requires decreasing the temperature and duration of the preform fabrication process, in particular, changing from the POD-technology to the low-temperature plasmachemical vapor deposition (PCVD) or surface PCVD (SPCVD)-technology.

  5. Shock-induced irreversible transition from {alpha}-quartz to CaCl{sub 2}-like silica

    SciTech Connect (OSTI)

    Berterretche, P.; Resseguier, T. de; Hallouin, M.; Petitet, J. P.

    2004-10-15

    Previous analyses of quartz samples recovered after being submitted to laser shocks of very short duration (nanosecond order) have shown the presence of CaCl{sub 2}-like silica [T. de Resseguier, P. Berterretche, M. Hallouin, and J. P. Petitet, J. Appl. Phys. 94, 2123 (2003)]. To date, this transition has never been observed under shocks of longer duration (microsecond order) generated by explosives or plate impacts. While this phase is produced from stishovite under static compression at very high pressure (above 50 GPa) and disappears on pressure release, it is observed after low pressure laser shocks (below 5 GPa) and it is quenched to ambient conditions. The origins of these differences are still unclear. This paper presents complementary laser shock experiments involving setups to provide additional information on the influence of various shock parameters. The results suggest a direct transition from {alpha}-quartz to CaCl{sub 2}-type silica following a diffusionless mechanism involving high shear strains. They also show the presence of vitreous silica characterized by an 'organized' ringlike structure, and we propose that this amorphous phase is an intermediate structure between the quartz lattice and grains of the high-pressure phase.

  6. The Role of Non-Bonded Interactions in the Conformational Dynamics of Organophosphorous Hydrolase Adsorbed onto Functionalized Mesoporous Silica Surfaces

    SciTech Connect (OSTI)

    Gomes, Diego Enry B.; Lins, Roberto D.; Pascutti, Pedro G.; Lei, Chenghong; Soares, Thereza A.

    2010-01-14

    The enzyme organophosphorous hydrolase (OPH) catalyzes the hydrolysis of a wide variety of organophosphorous compounds with high catalytic efficiency and broad substrate specificity. The immobilization of OPH in functionalized mesoporous silica surfaces increases significantly its catalytic specific activity compared to the enzyme in solution with important applications for the detection and decontamination of insecticides and chemical warfare agents. Experimental measurements of immobilization efficiency as function of the charge and coverage percentage of different functional groups have been interpreted as electrostatic forces being the predominant interactions underlying the adsorption of OPH onto functionalized mesoporous silica surfaces. Explicit solvent molecular dynamics simulations have been performed for OPH in bulk solution and adsorbed onto two distinct interaction potential models of the mesoporous silica functional groups in order to investigate the relative contributions of non-bonded interactions to the conformational dynamics and adsorption of the protein. Our results support the conclusion that while electrostatic interactions are responsible for the specific binding of OPH to the FMS surface, van der Waals forces are detrimental for enhanced interfacial adhesion. Key-words: molecular dynamics simulations; bacterial phosphotriesterase; conformational changes; confined environments; coarse-grain and atomistic models; silanol molecular model.

  7. Silica phase changes: Diagenetic agent for oil entrapment, Lost Hills field, California

    SciTech Connect (OSTI)

    Julander, D.R.; Szymanski, D.L. )

    1991-02-01

    The siliceous shales of the Monterey Group are the primary development target at Lost Hills. Silica phase changes have influenced the distribution and entrapment of hydrocarbons. With increasing temperature, opal A phase diatomite is converted to opal CT and finally quartz phase rock. All phases are low in permeability. The opal A diatomite is characteristically high in oil saturation and productive saturation. Productivity from this phase is dependent on structural position and fieldwide variations in oil viscosity and biodegradation. The deeper chert reservoir coincides with the opal CT to quartz phase transition. Porosity is again reduced in this transition, but saturations in the quartz phase rocks increase. Tests in the chert reservoir indicate a single, low-permeability system, suggesting the importance of matric contribution. resistivity and porosity in the diatomite, and resistivity and velocity in the chert, are the physical properties which best reflect saturation. Methods exploiting these properties (FMS, BHTV, borehole, and surface shear wave studies) should be helpful in further characterizing the reservoirs and identifying future pay.

  8. Microstructural characterization of low-density foams. [Silica, resorcinol/formaldehyde, cellulose/acetate

    SciTech Connect (OSTI)

    Price, C.W.

    1988-01-01

    Low-density foams (of the order 0.1 g/cm/sup 3/) synthesized from silica aerogel, resorcinol/formaldehyde, and cellulose acetate have fine, delicate microstructures that are extremely difficult to characterize. Improved low-voltage resolution of an SEM equipped with a field-emission gun (FESEM) does permit these materials to be examined directly without coating and at sufficient magnification to reveal the microstructures. Light coatings applied by ion-beam deposition can stabilize the specimens to some extent and reduce electron charging without seriously altering the microstructure, but coatings applied by conventional techniques usually obliterate these microstructures. Transmission electron microscopy (TEM) is required to provide unambiguous microstructural interpretations. However, TEM examinations of these materials can be severely restricted by specimen preparation difficulties and electron-beam damage, and considerable care must be taken to ensure that reasonably accurate TEM results have been obtained. This work demonstrates that low-voltage FESEM analyses can be used to characterize microstructures in these foams, but TEM analyses are required to confirm the FESEM analyses and perform quantitative measurements. 19 refs., 11 figs.

  9. Corrugation of Phase-Separated Lipid Bilayers Supported by Nanoporous Silica Xerogel Surfaces

    SciTech Connect (OSTI)

    Goksu, E I; Nellis, B A; Lin, W; Satcher Jr., J H; Groves, J T; Risbud, S H; Longo, M L

    2008-10-30

    Lipid bilayers supported by substrates with nanometer-scale surface corrugations holds interest in understanding both nanoparticle-membrane interactions and the challenges of constructing models of cell membranes on surfaces with desirable properties, e.g. porosity. Here, we successfully form a two-phase (gel-fluid) lipid bilayer supported by nanoporous silica xerogel. Surface topology, diffusion, and lipid density in comparison to mica-supported lipid bilayers were characterized by AFM, FRAP, FCS, and quantitative fluorescence microscopy, respectively. We found that the two-phase lipid bilayer follows the xerogel surface contours. The corrugation imparted on the lipid bilayer results in a lipid density that is twice that on a flat mica surface. In direct agreement with the doubling of actual bilayer area in a projected area, we find that the lateral diffusion coefficient (D) of lipids on xerogel ({approx}1.7 {micro}m{sup 2}/s) is predictably lower than on mica ({approx}4.1 {micro}m{sup 2}/s) by both FRAP and FCS techniques. Furthermore, the gel-phase domains on xerogel compared to mica were larger and less numerous. Overall, our results suggest the presence of a relatively defect-free continuous two-phase bilayer that penetrates approximately midway into the first layer of {approx}50 nm xerogel beads.

  10. Structure and chemistry of sol-gel derived transparent silica aerogel

    SciTech Connect (OSTI)

    Tewari, P.H.; Lofftus, K.D.; Hunt, A.J.

    1985-02-01

    Transparent silica aerogels are being studied because of their excellent thermal insulation properties for window glazing materials. The chemistry of the base catalyzed Si(OC/sub 2/H/sub 5/)/sub 4/ sol-gel process to produce transparent aerogels is presented. The results of a factorial design set of experiments are discussed in which five process parameters are simultaneously varied. The goal of these experiments was to optimize the process conditions and to analyze the importance of various parameters in improving the properties of the aerogel. A novel technique of ambient temperature supercritical drying of alcogels is described. In this process, supercritical drying occurs at less than or equal to40/sup 0/C instead of at greater than or equal to270/sup 0/C and greater than or equal to1700 PSI (12 MPa), by substituting CO/sub 2/ for alcohol in the alcogel. The time of drying is reduced from 2 to 3 days to 8 to 10 hours. It is shown that light scattering, microstructural properties and other characteristics of aerogels produced by this process and by the high temperature supercritical drying are similar.

  11. Dynamics of femtosecond laser absorption of fused silica in the ablation regime

    SciTech Connect (OSTI)

    Lebugle, M. Sanner, N.; Varkentina, N.; Sentis, M.; Utéza, O.

    2014-08-14

    We investigate the ultrafast absorption dynamics of fused silica irradiated by a single 500 fs laser pulse in the context of micromachining applications. A 60-fs-resolution pump-probe experiment that measures the reflectivity and transmissivity of the target under excitation is developed to reveal the evolution of plasma absorption. Above the ablation threshold, an overcritical plasma with highly non-equilibrium conditions is evidenced in a thin layer at the surface. The maximum electron density is reached at a delay of 0.5 ps after the peak of the pump pulse, which is a strong indication of the occurrence of electronic avalanche. The results are further analyzed to determine the actual feedback of the evolution of the optical properties of the material on the pump pulse. We introduce an important new quantity, namely, the duration of absorption of the laser by the created plasma, corresponding to the actual timespan of laser absorption by inverse Bremsstrahlung. Our results indicate an increasing contribution of plasma absorption to the total material absorption upon raising the excitation fluence above the ablation threshold. The role of transient optical properties during the energy deposition stage is characterized and our results emphasize the necessity to take it into account for better understanding and control of femtosecond laser-dielectrics interaction.

  12. FUNCTIONALIZED SILICA AEROGELS: ADVANCED MATERIALS TO CAPTURE AND IMMOBILIZE RADIOACTIVE IODINE

    SciTech Connect (OSTI)

    Matyas, Josef; Fryxell, Glen E.; Busche, Brad J.; Wallace, Krys; Fifield, Leonard S.

    2011-11-16

    To support the future expansion of nuclear energy, an effective method is needed to capture and safely store radiological iodine-129 released during reprocessing of spent nuclear fuel. Various materials have been investigated to capture and immobilize iodine. In most cases, however, the materials that are effective for capturing iodine cannot subsequently be sintered/densified to create a stable composite that could be a viable waste form. We have developed chemically modified, highly porous, silica aerogels that show sorption capacities higher than 440 mg of I2 per gram at 150 C. An iodine uptake test in dry air containing 4.2 ppm of iodine demonstrated no breakthrough after 3.5 h and indicated a decontamination factor in excess of 310. Preliminary densification tests showed that the I2-loaded aerogels retained more than 92 wt% of I2 after thermal sintering with pressure assistance at 1200 C for 30 min. These high capture and retention efficiencies for I2 can be further improved by optimizing the functionalization process and the chemistry as well as the sintering conditions.

  13. Compressed Silica Aerogels for the Study of Superfluid [superscript 3]He

    SciTech Connect (OSTI)

    Pollanen, J.; Choi, H.; Davis, J.P.; Blinstein, S.; Lippman, T.M.; Lurio, L.B.; Mulders, N.; Halperin, W.P. (NIU); (Delaware); (NWU)

    2007-03-02

    We have performed Small Angle X-ray Scattering (SAXS) on uniaxially strained aerogels and measured the strain-induced structural anisotropy. We use a model to connect our SAXS results to anisotropy of the {sup 3}He quasiparticle mean free path in aerogel. Measurements of the low temperature phase diagram of superfluid {sup 3}He in 98% aerogel indicate a stable B-phase and a metastable A-like phase. Vicente et al. proposed that the relative stability of these phases can be attributed to local anisotropic scattering of the 3He quasiparticles by the aerogel network. This network consists of silica strands with a diameter of {approx} 30 {angstrom} and average separation {zeta}{sub a} {approx} 300 {angstrom}. Vicente et al. also proposed using uniaxial strain of the aerogel to produce global anisotropy. We have performed SAXS on two uniaxially strained aerogels and found that strain introduces anisotropy on the {approx}100 {angstrom} length scale. We relate this to anisotropy of the quasiparticle mean free path, {lambda}.

  14. A New Concept for the Fabrication of Hydrogen Selective Silica Membranes

    SciTech Connect (OSTI)

    Michael Tsapatsis

    2005-10-01

    It is attempted to synthesize hydrogen selective silica-based membranes through a novel thin film deposition concept. This report describes the progress made during the 1st Year of this award. All project Tasks, for Year 1, were completed and the first thin films were prepared and characterized. The goal of this work is to use crystalline layered silicates to form hydrogen selective membranes for use in high temperature hydrogen/carbon dioxide separations. It was proposed to: (A) Synthesize layered silicate materials; (B) Prepare dispersions of as synthesized or delaminated layered silicates; (C) Prepare membranes by coating the layered silicates on macro-mesoporous supports; and (D) Test the membranes for H{sub 2}/CO{sub 2} selectivity at high temperature and pressures and for structural and functional stability at high temperature in the presence of water vapor. All Year 1 project Tasks are completed. Layered silicate particles were synthesized hydrothermally. Crystal shape and size was optimized for the formation of thin films. Calcination procedures that avoid particle agglomeration were developed and suspensions of the calcined silicate particles were prepared. The silicate particles and suspensions were characterized by X-Ray Diffraction, Electron Microscopy and Dynamic Light Scattering. The characterization data indicate that plate like morphology, large aspect ratio and good dispersion have been achieved. A deposition process that leads to uniform, high-coverage ({approx}100%) coating of the layered silicate particles on porous alpha-alumina supports was developed.

  15. Tuning the properties of Ge-quantum dots superlattices in amorphous silica matrix through deposition conditions

    SciTech Connect (OSTI)

    Pinto, S. R. C.; Ramos, M. M. D.; Gomes, M. J. M.; Buljan, M.; Chahboun, A.; Roldan, M. A.; Molina, S. I.; Bernstorff, S.; Varela, M.; Pennycook, S. J.; Barradas, N. P.; Alves, E.

    2012-04-01

    In this work, we investigate the structural properties of Ge quantum dot lattices in amorphous silica matrix, prepared by low-temperature magnetron sputtering deposition of (Ge+SiO{sub 2})/SiO{sub 2} multilayers. The dependence of quantum dot shape, size, separation, and arrangement type on the Ge-rich (Ge + SiO{sub 2}) layer thickness is studied. We show that the quantum dots are elongated along the growth direction, perpendicular to the multilayer surface. The size of the quantum dots and their separation along the growth direction can be tuned by changing the Ge-rich layer thickness. The average value of the quantum dots size along the lateral (in-plane) direction along with their lateral separation is not affected by the thickness of the Ge-rich layer. However, the thickness of the Ge-rich layer significantly affects the quantum dot ordering. In addition, we investigate the dependence of the multilayer average atomic composition and also the quantum dot crystalline quality on the deposition parameters.

  16. Sorption Phase of Supercritical CO2 in Silica Aerogel: Experiments and Mesoscale Computer Simulations

    SciTech Connect (OSTI)

    Rother, Gernot [ORNL; Vlcek, Lukas [ORNL; Gruszkiewicz, Miroslaw {Mirek} S [ORNL; Chialvo, Ariel A [ORNL; Anovitz, Lawrence {Larry} M [ORNL; Banuelos, Jose Leo [ORNL; Wallacher, Dirk [Helmholtz-Zentrum Berlin; Grimm, Nico [Helmholtz-Zentrum Berlin; Cole, David [Ohio State University

    2014-01-01

    Adsorption of supercritical CO2 in nanoporous silica aerogel was investigated by a combination of experiments and molecular-level computer modeling. High-pressure gravimetric and vibrating tube densimetry techniques were used to measure the mean pore fluid density and excess sorption at 35 C and 50 C and pressures of 0-200 bar. Densification of the pore fluid was observed at bulk fluid densities below 0.7 g/cm3. Far above the bulk fluid density, near-zero sorption or weak depletion effects were measured, while broad excess sorption maxima form in the vicinity of the bulk critical density region. The CO2 sorption properties are very similar for two aerogels with different bulk densities of 0.1 g/cm3 and 0.2 g/cm3, respectively. The spatial distribution of the confined supercritical fluid was analyzed in terms of sorption- and bulk-phase densities by means of the Adsorbed Phase Model (APM), which used data from gravimetric sorption and small-angle neutron scattering experiments. To gain more detailed insight into supercritical fluid sorption, large-scale lattice gas GCMC simulations were utilized and tuned to resemble the experimental excess sorption data. The computed three-dimensional pore fluid density distributions show that the observed maximum of the excess sorption near the critical density originates from large density fluctuations pinned to the pore walls. At this maximum, the size of these fluctuations is comparable to the prevailing pore sizes.

  17. Interfacial Modification of Silica Surfaces Through gamma-Isocyanatopropyl Triethoxy Silane-Amine Coupling Reactions

    SciTech Connect (OSTI)

    Vogel,B.; DeLongchamp, D.; Mahoney, C.; Lucas, L.; Fischer, D.; Lin, E.

    2008-01-01

    The development of robust, cost-effective methods to modify surfaces and interfaces without the specialized synthesis of unique coupling agents could provide readily accessible routes to optimize and tailor interfacial properties. We demonstrate that -isocyanatopropyl triethoxysilane (ISO) provides a convenient route to functionalize silica surfaces through coupling reactions with readily available reagents. ISO coupling agents layers (CALs) can be prepared from toluene with triethylamine (TEA), but the coupling reaction of an amine to the ISO CAL does not proceed. We use near edge X-ray absorption fine structure (NEXAFS), time-of-flight secondary ion mass spectrometry (TOF-SIMS) and sessile drop contact angle to demonstrate the isocyanate layer is not degraded under coupling conditions. Access to silanes with chemical functionality is possible with ISO by performing the coupling reaction in solution and then depositing the product onto the surface. Two model CAL surfaces are prepared to demonstrate the ease and robust nature of this procedure. The surfaces prepared using this method are the ISO reacted with octadecylamine to produce a hydrocarbon surface of similar quality to octadecyl trichlorosilane (OTS) CALs and with 9-aminofluorene (AFL), an aromatic amine functionality whose silane is otherwise unavailable commercially.

  18. Monitoring, Modeling, and Diagnosis of Alkali-Silica Reaction in Small Concrete Samples

    SciTech Connect (OSTI)

    Agarwal, Vivek; Cai, Guowei; Gribok, Andrei V.; Mahadevan, Sankaran

    2015-09-01

    Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Structural health monitoring of concrete structures aims to understand the current health condition of a structure based on heterogeneous measurements to produce high-confidence actionable information regarding structural integrity that supports operational and maintenance decisions. This report describes alkali-silica reaction (ASR) degradation mechanisms and factors influencing the ASR. A fully coupled thermo-hydro-mechanical-chemical model developed by Saouma and Perotti by taking into consideration the effects of stress on the reaction kinetics and anisotropic volumetric expansion is presented in this report. This model is implemented in the GRIZZLY code based on the Multiphysics Object Oriented Simulation Environment. The implemented model in the GRIZZLY code is randomly used to initiate ASR in a 2D and 3D lattice to study the percolation aspects of concrete. The percolation aspects help determine the transport properties of the material and therefore the durability and service life of concrete. This report summarizes the effort to develop small-size concrete samples with embedded glass to mimic ASR. The concrete samples were treated in water and sodium hydroxide solution at elevated temperature to study how ingress of sodium ions and hydroxide ions at elevated temperature impacts concrete samples embedded with glass. Thermal camera was used to monitor the changes in the concrete sample and results are summarized.

  19. Thermal conductivity studies of novel nanofluids based on metallic silver decorated mesoporous silica nanoparticles

    SciTech Connect (OSTI)

    Tadjarodi, Azadeh; Zabihi, Fatemeh

    2013-10-15

    Graphical abstract: - Highlights: Metallic silver was decorated in mSiO{sub 2} with grafted hemiaminal functional groups. Synthesized nanoparticles were used for preparation of glycerol based nanofluids. The effect of temperature, weight fraction of mSiO{sub 2} and concentration of silver nanoparticles on thermal conductivity of nanofluids was investigated. - Abstract: In the present study, the mesoporous structure of silica (mSiO{sub 2}) nanoparticles as well as hemiaminal grafted mSiO{sub 2} decorated by metallic silver (Ag/mSiO{sub 2}) has been used for the preparation of glycerol based nanofluids. Structural and morphological characterization of the synthesized products have been carried out using Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), X-ray diffraction (XRD), UVvis spectroscopy, inductively coupled plasma (ICP) and N{sub 2} adsorptiondesorption isotherms. The thermal conductivity and viscosity of the nanofluids have been measured as a function of temperature for various weight fractions and silver concentrations of mSiO{sub 2} and Ag/mSiO{sub 2} nanoparticles, respectively. The results show that the thermal conductivity of the nanofluids increase up to 9.24% as the weight fraction of mSiO{sub 2} increases up to 4 wt%. Also, increasing the percent of the silver decorated mSiO{sub 2} (Ag/mSiO{sub 2}) up to 2.98% caused an enhancement in the thermal conductivity of the base fluid up to 10.95%. Furthermore, the results show that the nanofluids have Newtonian behavior in the tested temperature range for various concentrations of nanoparticles.

  20. FORMATION OF CALCIUM AND SILICA FROM PERCOLATION IN A HYDROLOGICALLY UNSATURATED SETTING, Y.M.,NV

    SciTech Connect (OSTI)

    J.B. Paces; J.F. Whelan; Z.E. Peterman; B.D. Marshall

    2000-07-27

    Geological, mineralogical, chemical, and isotopic evidence from coatings of calcite and silica on open fractures and lithophysal cavities within welded tuffs at Yucca Mountain indicate an origin from meteoric water percolating through a thick (500 to 700 m) unsaturated zone (UZ) rather than from pulses of ascending ground water. Geologic evidence for a UZ setting includes the presence of coatings in only a small percentage of cavities, the restriction of coatings to fracture footwalls and cavity floors, and an absence of mineral high-water marks indicative of water ponding. Systematic mineral sequences (early calcite, followed by chalcedony with minor quartz and fluorite, and finally calcite with intercalated opal forming the bulk of the coatings) indicate progressive changes in UZ conditions through time, rather than repeated saturation by flooding. Percolation under the influence of gravity also results in mineral textures that vary between steeply dipping sites (thinner coatings of blocky calcite) and shallowly dipping sites (thicker coatings of coarse, commonly bladed calcite, with globules and sheets of opal). Micrometer-scale growth banding in both calcite and opal reflects slow average growth rates (scale of mm/m.y.) over millions of years rather than only a few rapidly deposited growth episodes. Isotopic compositions of C, O, Sr, and U from calcite and opal indicate a percolation-modified meteoric water source, and collectively refute a deeper ground-water source. Chemical and isotopic variations in coatings also indicate long-term evolution of water compositions. Although some compositional changes are related to shifts in climate, growth rates in the deeper UZ are buffered from large changes in meteoric input. Coatings most likely formed from films of water flowing down connected fracture pathways. Mineral precipitation is consistent with water vapor and carbon dioxide loss from films at very slow rates. Data collectively indicate that mineral coatings formed in a UZ setting that has been hydrologically stable over million-year time scales.

  1. Solubility of aluminum and silica in Spodic horizons as affected by drying and freezing

    SciTech Connect (OSTI)

    Simonsson, M.; Berggren, D.; Gustafsson, J.P.

    1999-10-01

    The release of toxic Al{sup 3+} is one of the most serious consequences of anthropogenic soil acidification. Therefore, the mechanisms controlling Al solubility have been a topic of intense research for more than a decade. For convenience, soil samples are often dried before storage and experimental use. However, the literature offers examples of drying that results in changes in pH, solubility of organic matter, and dissolution rates of Al. In this study, the authors examined the solubility of Al and Si in fresh soil and in soil that had been dried or deep-frozen. Five Spodosol B horizon soils were subjected to batch titrations, where portions of each soil were equilibrated with solutions with varying concentrations of acid or base added. Extractions with acid oxalate and Na pyrophosphate indicated the presence of imogolite-type materials (ITM) in three of the soils. In the other two soils most secondary solid-phase Al was associated with humic substances. Deep-freezing did not significantly change pH nor the concentration of Al or Si as compared with fresh soil. Drying, on the other hand, yielded pH increases of up to 0.3 units at a given addition of acid or base, whereas Al{sup 3+} changed only slightly, implying a higher Al solubility in all of the soils. Furthermore, dissolved silica increased by up to 200% after drying, except in a soil that almost completely lacked oxalate-extractable Si. The authors suggest that drying enhanced the dissolution of ITM by disrupting soil organic matter, thus exposing formerly coated mineral surfaces. In the soil where dissolved Si did not change with drying, it has been demonstrated that Al-humus complexes controlled Al solubility. They suggest that fissures in the organic material caused by drying may have exposed formerly occluded binding sites that had a higher Al saturation than had sites at the surface of humus particles.

  2. Bio-distribution and metabolic paths of silica coated CdSeS quantum dots

    SciTech Connect (OSTI)

    Chen Zhen; Chen Hu; Meng Huan; Xing Gengmei Gao Xueyun; Sun Baoyun; Shi Xiaoli; Yuan Hui; Zhang Chengcheng; Liu Ru; Zhao Feng

    2008-08-01

    With the rapid development of quantum dot (QD) technology, water-soluble QDs have the prospect of being used as a biological probe for specific diagnoses, but their biological behaviors in vivo are little known. Our recent in vivo studies concentrated on the bio-kinetics of QDs coated by hydroxyl group modified silica networks (the QDs are 21.3 {+-} 2.0 nm in diameter and have maximal emission at 570 nm). Male ICR mice were intravenously given the water-soluble QDs with a single dose of 5 nmol/mouse. Inductively coupled plasma-mass spectrometry was used to measure the {sup 111}Cd content to indicate the concentration of QDs in plasma, organs, and excretion samples collected at predetermined time intervals. Meanwhile, the distribution and aggregation state of QDs in tissues were also investigated by pathological examination and differential centrifugation. The plasma half-life and clearance of QDs were 19.8 {+-} 3.2 h and 57.3 {+-} 9.2 ml/h/kg, respectively. The liver and kidney were the main target organs for QDs. The QDs metabolized in three paths depending on their distinct aggregated states in vivo. A fraction of free QDs, maintaining their original form, could be filtered by glomerular capillaries and excreted via urine as small molecules within five days. Most QDs bound to protein and aggregated into larger particles that were metabolized in the liver and excreted via feces in vivo. After five days, 8.6% of the injected dose of aggregated QDs still remained in hepatic tissue and it was difficult for this fraction to clear.

  3. Residual stress and damage-induced critical fracture on CO2 laser treated fused silica

    SciTech Connect (OSTI)

    Matthews, M; Stolken, J; Vignes, R; Norton, M

    2009-11-02

    Localized damage repair and polishing of silica-based optics using mid- and far-IR CO{sub 2} lasers has been shown to be an effective method for increasing optical damage threshold in the UV. However, it is known that CO{sub 2} laser heating of silicate surfaces can lead to a level of residual stress capable of causing critical fracture either during or after laser treatment. Sufficient control of the surface temperature as a function of time and position is therefore required to limit this residual stress to an acceptable level to avoid critical fracture. In this work they present the results of 351 nm, 3 ns Gaussian damage growth experiments within regions of varying residual stress caused by prior CO{sub 2} laser exposures. Thermally stressed regions were non-destructively characterized using polarimetry and confocal Raman microscopy to measure the stress induced birefringence and fictive temperature respectively. For 1 {approx} 40s square pulse CO{sub 2} laser exposures created over 0.5-1.25 kW/cm{sup 2} with a 1-3 mm 1/e{sup 2} diameter beam (T{sub max} {approx} 1500-3000 K), the critical damage site size leading to fracture increases weakly with peak temperature, but shows a stronger dependence on cooling rate, as predicted by finite element hydrodynamics simulations. Confocal micro-Raman was used to probe structural changes to the glass over different thermal histories and indicated a maximum fictive temperature of 1900K for T{sub max} {ge} 2000 K. The effect of cooling rate on fictive temperature caused by CO{sub 2} laser heating are consistent with finite element calculations based on a Tool-Narayanaswamy relaxation model.

  4. Electron paramagnetic resonance study of paramagnetic centers in carbon-fumed silica adsorbent

    SciTech Connect (OSTI)

    Savchenko, D. V.; Shanina, B. D.; Kalabukhova, E. N.; Sitnikov, A. A.; Lysenko, V. S.; Tertykh, V. A.

    2014-04-07

    Fumed silica A-300 was carbonized by means of pyrolysis of CH{sub 2}Cl{sub 2}. The obtained initial SiO{sub 2}:C nanopowders of black color, with an average diameter of 1416?nm and carbon (C) concentration 7?wt. %, subjected to the oxidation and passivation treatment were studied by electron paramagnetic resonance (EPR) in the temperature range 4400?K. Two EPR signals of Lorentzian lineshape with nearly equal g-factors and different linewidth were observed in the initial, oxidized, and passivated SiO{sub 2}:C nanopowders. The two-component EPR spectrum was explained by the presence of C in two electronic states. The intensive narrow EPR signal, which has a temperature-dependent intensity, linewidth, and resonance field position, was attributed to the carbon-related defect with non-localized electron hopping between neighboring C-dangling bonds. The striking effect is that the temperature dependence of the EPR linewidth demonstrates the motional narrowing of the EPR signal at very low temperatures from 4?K to 20?K, which is not typically for nonmetallic materials and was explained by the quantum character of C layer conductivity in the SiO{sub 2}:C. The observed peaks in the temperature dependence of the conduction electron EPR signal integral intensity in the high-temperature range 200440?K was explained by the presence of the C nanodots at the surface of SiO{sub 2} nanoparticles and the ejection of electrons from the confinement energy levels of C quantum dot when the temperature becomes comparable to the confinement energy.

  5. Chemical behaviour of geothermal silica after precipitation from geothermal fluids with inorganic flocculating agents at the Hawaii Geothermal Project Well-A (HGP-A)

    SciTech Connect (OSTI)

    De Carlo, E.H.

    1987-01-01

    The report summarizes the results of experiments dealing with the problem of removal of waste-silica from spent fluids at the experimental power generating facility in the Puna District of the island of Hawaii. Geothermal discharges from HGP-A represent a mixture of meteoric and seawaters which has reacted at depth with basalts from the Kilauea East Rift Zone under high pressure and temperature. After separation of the steam phase of the geothermal fluid from the liquid phase and a final flashing stage to 100 degrees Celsius and atmospheric pressure, the concentration of the silica increases to approximately 1100 mg/L. This concentration represents five to six times the solubility of amorphous silica in this temperature range. We have evaluated and successfully developed bench scale techniques utilizing adsorptive bubble flotation for the removal of colloidal silica from the spent brine discharge in the temperature range of 60 to 90 degrees C. The methods employed resulted in recovery of up to 90% of the silica present above its amorphous solubility in the experimental temperature range studied.

  6. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Burris, Paul C.; Laage, Damien; Thompson, Ward H.

    2016-05-20

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this Paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is usedmore » to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. Lastly, the simulated spectra indicate that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.« less

  7. Revisiting Maxwell’s accommodation coefficient: A study of nitrogen flow in a silica microtube across all flow regimes

    SciTech Connect (OSTI)

    Lei, Wenwen McKenzie, David R.

    2014-12-15

    Gas flows have been studied quantitatively for more than a hundred years and have relevance in modern fields such as the control of gas inputs to processes, the measurement of leak rates and the separation of gaseous species. Cha and McCoy have derived a convenient formula for the flow of an ideal gas applicable across a wide range of Knudsen numbers (Kn) that approaches the Navier–Stokes equations at small Kn and the Smoluchowski extension of the Knudsen flow equation at large Kn. Smoluchowski’s result relies on the Maxwell definition of the tangential momentum accommodation coefficient α, recently challenged by Arya et al. We measure the flow rate of nitrogen gas in a smooth walled silica tube across a wide range of Knudsen numbers from 0.0048 to 12.4583. We find that the nitrogen flow obeys the Cha and McCoy equation with a large value of α, unlike carbon nanotubes which show flows consistent with a small value of α. Silica capillaries are therefore not atomically smooth. The flow at small Kn has α=0.91 and at large Kn has α close to one, consistent with the redefinition of accommodation coefficient by Arya et al., which also resolves a problem in the literature where there are many observations of α of less than one at small Kn and many equal to one at large Kn. Silica capillaries are an excellent choice for an accurate flow control system. - Highlights: • First experimental study on flow rate across all flow regimes in a well-defined microtube. • Extend Cha and McCoy theory for molecular flow regime. • Demonstrate the Maxwell accommodation coefficient is different in the slip and molecular flow regimes.

  8. A STUDY OF FISCHER 344 RATS EXPOSED TO SILICA DUST FOR SIX MONTHS AT CONCENTRATIONS OF 0, 2, 10 OR 20 MG / M3.

    SciTech Connect (OSTI)

    KUTZMAN,R.S.

    1984-02-01

    The major objective of this study was to relate the results of a series of functional tests to the compositional and structural alterations in the rat lung induced by subchronic exposure to silica dust. Fischer-344 rats were exposed for 6 hours/day, 5 days/week for 6 months to either 0, 2, 10, or 20 mg SiO{sub 2}/m{sup 3}. The general appearance of the exposed rats was not different from that of the controls. Interestingly, female rats exposed to silica dust, at all tested concentrations, gained more weight than the controls. The lung weight and the lung-to-body weight ratio was greater in the male rats exposed to the highest concentration of silica dust.

  9. Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from DFT Studies

    SciTech Connect (OSTI)

    Das, Ujjal; Zhang, Guanghui; Hu, Bo; Hock, Adam S.; Redfern, Paul C.; Miller, Jeffrey T.; Curtiss, Larry A.

    2015-12-01

    Amorphous silica (SiO2) is commonly used as a support in heterogeneous catalysis. However, due to the structural disorder and temperature induced change of surface morphology, the structures of silica supported metal catalysts are difficult to determine. Most studies are primarily focused on understanding the interactions of different types of surface hydroxyl groups with metal ions. In comparison, the effect of siloxane ring size on the structure of silica supported metal catalysts and how it affects catalytic activity is poorly understood. Here, we have used density functional theory calculations to understand the effect of siloxane ring strain on structure and activity of different monomeric Lewis acid metal sites on silica. In particular, we have found that large siloxane rings favor strong dative bonding interaction between metal ion and surface hydroxyls, leading to the formation of high-coordinate metal sites. In comparison, metal-silanol interaction is weak in small siloxane rings, resulting in low-coordinate metal sites. The physical origin of this size dependence is associated with siloxane ring strain, and, a correlation between metal-silanol interaction energy and ring strain energy has been observed. In addition to ring strain, the strength of the metal-silanol interaction also depends on the positive charge density of the cations. In fact, a correlation also exists between metal-silanol interaction energy and charge density of several first-row transition and post-transition metals. The theoretical results are compared with the EXAFS data of monomeric Zn(II) and Ga(III) ions grafted on silica. The molecular level insights of how metal ion coordination on silica depends on siloxane ring strain and cation charge density will be useful in the synthesis of new catalysts.

  10. Sol-gel Ru/SiO[sub 2] - catalysts: Theoretical and experimental determination of the Ru-in-silica structures

    SciTech Connect (OSTI)

    Lopez, T.; Gomez, R.; Novaro, O. ); Ramirez-Solis, A.; Sanchez-Mora, E.; Castillo, S.; Poulain, E.; Martinez-Magadan, J.M. )

    1993-05-01

    Preparation of Ru/SiO[sub 2] catalysts with sol-gel techniques allows better selectivity and much greater resistance to coke formation and deactivation than the traditional impregnation method. This has been attributed to the incorporation of Ru into the silica network for the sol-gel catalyst. To further understand the structure of the Ru occluded in the silica network, a variety of spectroscopical studies and quantum mechanical calculations were carried out, confirming previously proposed structures and showing good agreement between the theoretical and experimental results. 26 refs., 10 figs., 2 tabs.

  11. Densification of alkoxide-derived fine silica powder compact by ultra-high-pressure cold isostatic pressing

    SciTech Connect (OSTI)

    Kamiya, Hidehiro . Dept. of Chemical Engineering); Suzuki, Hisao ); Kato, Daisuke; Jimbo, Genji . Dept. of Chemical Engineering)

    1993-01-01

    Powder compacts of alkoxide-derived fine silica powders were consolidated into a highly dense and uniform structure by ultra-high-pressure cold isostatic pressing of granules with controlled structure. The diameters of spherical and nearly monosized amorphous silica particles, prepared from metal alkoxide, were successfully controlled in the range of 9 to 760 nm by varying the concentration of ammonia. Close-packed granules of these powders were produced by spray drying. These powders were isostatically pressed up to 1 GPa at room temperature. Although the average particle diameter was less than 100 nm, the maximum relative density of the compacts was more than 78% of theoretical density. The optimum particle size to obtain highly dense compacts was in the range of 30 to 300 nm at 1 GPa. Furthermore, the ratio of mode pore diameter in these compacts to particle diameter was less than 0.155, which corresponded to the minimum ratio of calculated three-particle pore channel radii for hexagonal close packing. Viscous deformation of particles under ultra-high isostatic pressure played an important role in the densification of the compacts.

  12. Nanoporous Polytetrafluoroethylene/Silica Composite Separator as a High-Performance All-Vanadium Redox Flow Battery Membrane

    SciTech Connect (OSTI)

    Wei, Xiaoliang; Nie, Zimin; Luo, Qingtao; Li, Bin; Chen, Baowei; Simmons, Kevin L.; Sprenkle, Vincent L.; Wang, Wei

    2013-09-02

    Driven by the motivation of searching for low-cost membrane alternatives, a novel nanoporous polytetrafluoroethylene/silica composite separator has been prepared and evaluated for its use in all-vanadium mixed-acid redox flow battery. This separator consisting of silica particles enmeshed in a polytetrafluoroethylene fibril matrix has no ion exchange capacity and is featured with unique nanoporous structures, which function as the ion transport channels in redox flow battery operation, with an average pore size of 38nm and a porosity of 48%. This separator has produced excellent electrochemical performance in the all-vanadium mixed-acid system with energy efficiency delivery comparable to Nafion membrane and superior rate capability and temperature tolerance. The separator also demonstrates an exceptional capacity retention capability over extended cycling, offering additional operational latitude towards conveniently mitigating the capacity decay that is inevitable for Nafion. Because of the inexpensive raw materials and simple preparation protocol, the separator is particularly low-cost, estimated to be at least an order of magnitude more inexpensive than Nafion. Plus the proven chemical stability due to the same backbone material as Nafion, this separator possesses a good combination of critical membrane requirements and shows great potential to promote market penetration of the all-vanadium redox flow battery by enabling significant reduction of capital and cycle costs.

  13. Application of Fourier transform infrared spectroscopy to silica diagenesis: The opal-A to opal-CT transformation

    SciTech Connect (OSTI)

    Rice, S.B.; Freund, H.; Huang, W.L.; Clouse, J.A.; Isaacs, C.M.

    1995-10-02

    An important goal in silica diagenesis research is to understand the kinetics of opal transformation from noncrystalline opal-A to the disordered silica polymorph opal-CT. Because the conventional technique for monitoring the transformation, powder X-ray diffraction (XRD), is applicable only to phases with long-range order, the authors used Fourier transform infrared spectroscopy (FTIR) to monitor the transformation. They applied this technique, combined with XRD and TEM, to experimental run products and natural opals from the Monterey Formation and from siliceous deposits in the western Pacific Ocean. Using a ratio of two infrared absorption intensities ({omega} = I{sub 472 cm{sup {minus}1}}/I{sub 500 cm{sup {minus}1}}), the relative proportions of opal-A and opal-CT can be determined. The progress of the transformation is marked by changes in slope of {omega} vs. depth or time when a sufficient stratigraphic profile is available. There are three stages in the opal-A to opal-CT reaction: (1) opal-A dissolution; (2) opal-CT precipitation, whose end point is marked by completion of opal-A dissolution; and (3) opal-CT ordering, during which tridymite stacking is eliminated in favor of crystobalite stacking.

  14. Absorption of a single 500 fs laser pulse at the surface of fused silica: Energy balance and ablation efficiency

    SciTech Connect (OSTI)

    Varkentina, N.; Sanner, N.; Lebugle, M.; Sentis, M.; Utéza, O.

    2013-11-07

    Ablation of fused silica by a single femtosecond laser pulse of 500 fs pulse duration is investigated from the perspective of efficiency of incident photons to remove matter. We measure the reflected and transmitted fractions of the incident pulse energy as a function of fluence, allowing us to recover the evolution of absorption at the material surface. At the ablation threshold fluence, 25% of incident energy is absorbed. At high fluences, this ratio saturates around 70% due to the appearance of a self-triggered plasma mirror (or shielding) effect. By using the energy balance retrieved experimentally and measurements of the ablated volume, we show that the amount of absorbed energy is far above the bonding energy of fused silica at rest and also above the energy barrier to ablate the material under non-equilibrium thermodynamic conditions. Our results emphasize the crucial role of transient plasma properties during the laser pulse and suggest that the major part of the absorbed energy has been used to heat the plasma formed at the surface of the material. A fluence range yielding an efficient and high quality ablation is also defined, which makes the results relevant for femtosecond micromachining processes.

  15. Sub-micron fracture mechanism in silica-based glass activated by permanent densification from high-strain loading

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wereszczak, Andrew A.; Waters, Shirley B.; Parten, Randy J.; Pye, L. David

    2016-04-26

    Several silica-based glasses were fractured at high strain energy via drop-weight testing on small specimens. A cylindrical specimen geometry was chosen to promote initially simple, axisymmetric, and uniform compressive loading. The imposed uniaxial compressive strain at impact was sufficiently high to qualitatively cause permanent densification. Produced fragments were collected for postmortem and a fraction of them, for all the silica-based glasses, consistently had distinct sub-micron-sized fractures (~ 300–1000 nm), designated here as “microkernels”, on their surfaces. They would most often appear as a sub-micron pore on the fragment - apparently if the microkernel had popped out as a consequence ofmore » the local crack plane running through it, tensile-strain release, and the associated formation of the fragment it was on. No fractographic evidence was found to show the microkernels were associated with local failure initiation. However, their positioning and habit sometimes suggested they were associated with localized crack branching and that they could have influenced secondary fracturing that occurred during overall crushing and comminution and associated fragment size and shape creation. Furthermore, the size range of these microkernels is much too small to affect structural flexure strength of these glasses for most applications but are of a size and concentration that may affect their ballistic, shock, crush, and comminution responses when permanent densification is concomitantly occurring.« less

  16. Examination of the concrete from an old Portuguese dam: Texture and composition of alkali-silica gel

    SciTech Connect (OSTI)

    Fernandes, Isabel Noronha, Fernando Teles, Madalena

    2007-11-15

    Exudations and pop-outs were identified in the interior galleries of a large dam built in the 1960s. The samples collected were examined by a Scanning Electron Microscope. A dense material with a smooth surface and drying shrinkage cracks or a spongy texture were observed in the samples. The semi-quantitative composition was obtained by energy dispersive spectrometry (EDS) and it was concluded that this material corresponds to alkali-silica gel, composed of SiO{sub 2}-Na{sub 2}O-K{sub 2}O-CaO. A viscous white product in contact with an aggregate particle in a cone sampled from a pop-out was observed through use of the scanning electron microscope and it has characteristics similar to the gel present in the exudations and cavities. Reference is made to the potential alkali reactivity of the aggregate present in the concrete. The texture and composition of the products probably resulting from an alkali-silica reaction are presented, set out in ternary diagrams, and discussed.

  17. Synthesis of silica coated zinc oxidepoly(ethylene-co-acrylic acid) matrix and its UV shielding evaluation

    SciTech Connect (OSTI)

    Ramasamy, Mohankandhasamy; Kim, Yu Jun; Gao, Haiyan; Yi, Dong Kee; An, Jeong Ho

    2014-03-01

    Graphical abstract: - Highlights: Well layer thickness controlled silica shell was made on ZnO nanoparticles. PEAA, an interfacial agent is used to make nanocompositepolymer matrix by twin-screw extruder. Si-ZnO/PEAA matrix is highly stable and UV protective as compared to ZnO/PEAA matrix. Nanoparticle embedded polymer matrix is suggested to make UV shielding fabrics with Nylon4. - Abstract: Silica coated zinc oxide nanoparticles (Si-ZnO NPs) (7 nm thick) were synthesized successfully and melt blended with poly(ethylene-co-acrylic acid) (PEAA resin) to improving ultraviolet (UV) shielding of zinc oxide nanoparticles (ZnO NPs). The photostability of both the ZnO NPs and Si-ZnO NPs were analyzed by the difference in photoluminescence (PL) and by methylene blue (MB) degradation. Photo-degradation studies confirmed that Si-ZnO NPs are highly photostable compared to ZnO NPs. The melt blended matrices were characterized by field emission scanning electron microscopy interfaced with energy dispersive X-ray spectroscopy (FE-SEM-EDX). The UV shielding property was analyzed from the transmittance spectra of UVvisible (UVvis) spectroscopy. The results confirmed fine dispersion of thick Si-ZnO NPs in the entire resin matrix. Moreover, the Si-ZnO/PEAA showed about 97% UV shielding properties than the ZnO/PEAA.

  18. Silica exposure to excavation workers during the excavation of a low level radiological waste pit and tritium disposal shafts

    SciTech Connect (OSTI)

    Wilson, K.M.

    1995-01-01

    This study evaluated the task-length average (TLA) respirable dust and respirable silica airborne concentrations to which construction workers excavating volcanic tuff at Los Alamos National Laboratory (LANL) were exposed. These workers were excavating a low level radiological waste disposal pit of final dimensions 720 feet long, 132 feet wide and 60 feet deep. The objectives of this study were as follows: (1) evaluate exposures; (2) determine if the type of machinery used affects the respirable dust concentration in the breathing zone of the worker; (3) evaluate the efficacy of wetting the pit to reduce the respirable dust exposure; and (4) determine if exposure increases with increasing depth of pit due to the walls of the pit blocking the cross wind ventilation.

  19. Growth of tapered silica nanowires with a shallow U-shaped vapor chamber: Growth mechanism and structural and optical properties

    SciTech Connect (OSTI)

    Zhang, Danqing; Zhang, Xi Wei, Jianglin; Gu, Gangxu; Xiang, Gang

    2015-04-28

    Traditional chemical vapor deposition method modified with a shallow U-shaped vapor chamber has been used to synthesize tapered bamboo shoot-like (BS-like) amorphous SiO{sub 2} nanowires (NWs) on Si (100) substrates without catalyst. The key innovation of this approach lies in a creation of swirling flow of the reactant vapors during the growth, which leads to a harvest of tapered silica NWs with lengths up to several microns. The unique structures and corresponding luminescence properties of the BS-like NWs were studied and their relationship with the evaporated active reactants was explored. A thermodynamic model that considers the critical role of the vapor flow during the growth is proposed to understand the structural and optical features. The shallow U-shaped vapor chamber-aided approach may provide a viable way to tailor novel structure of NWs for potential applications in nano-devices.

  20. Development of EEM based siliconwater and silicawater wall potentials for non-reactive molecular dynamics simulations

    SciTech Connect (OSTI)

    Kim, Junghan; Iype, Eldhose; Frijns, Arjan J.H.; Nedea, Silvia V.; Steenhoven, Anton A. van

    2014-07-01

    Molecular dynamics simulations of heat transfer in gases are computationally expensive when the wall molecules are explicitly modeled. To save computational time, an implicit boundary function is often used. Steele's potential has been used in studies of fluidsolid interface for a long time. In this work, the conceptual idea of Steele's potential was extended in order to simulate watersilicon and watersilica interfaces. A new wall potential model is developed by using the electronegativity-equalization method (EEM), a ReaxFF empirical force field and a non-reactive molecular dynamics package PumMa. Contact angle simulations were performed in order to validate the wall potential model. Contact angle simulations with the resulting tabulated wall potentials gave a siliconwater contact angle of 129, a quartzwater contact angle of 0, and a cristobalitewater contact angle of 40, which are in reasonable agreement with experimental values.

  1. A physical model of the photo- and radiation-induced degradation of ytterbium-doped silica optical fibres

    SciTech Connect (OSTI)

    Mady, Franck Duchez, Jean-Bernard Mebrouk, Yasmine Benabdesselam, Mourad

    2014-10-21

    We propose a model to describe the photo- or/and the radiation-induced darkening of ytterbium-doped silica optical fibers. This model accounts for the well-established experimental features of photo-darkening. Degradation behaviors predicted for fibers pumped in harsh environments are also fully confirmed by experimental data reported in the work by Duchez et al. (this proceeding), which gives a detailed characterization of the interplay between the effects of the pump and those of a superimposed ionizing irradiation (actual operation conditions in space-based applications for instance). In particular, dependences of the darkening build-up on the pump power, the total ionizing dose and the dose rate are all correctly reproduced. The presented model is a sufficient one, including the minimal physical ingredients required to reproduce experimental features. Refinements could be proposed to improve, e.g., quantitative kinetics.

  2. Characteristics of ultra low-k nanoporous and fluorinated silica based films prepared by plasma enhanced chemical vapor deposition

    SciTech Connect (OSTI)

    Abbasi-Firouzjah, M.; Shokri, B.; Physics Department, Shahid Beheshti University G.C., Evin, Tehran

    2013-12-07

    Low dielectric constant (low-k) silica based films were deposited on p-type silicon and polycarbonate substrates by radio frequency (RF) plasma enhanced chemical vapor deposition method at low temperature. A mixture of tetraethoxysilane vapor, oxygen, and tetrafluoromethane (CF{sub 4}) was used for the deposition of the films in forms of two structures called as SiO{sub x}C{sub y} and SiO{sub x}C{sub y}F{sub z}. Properties of the films were controlled by amount of porosity and fluorine content in the film matrix. The influence of RF power and CF{sub 4} flow on the elemental composition, deposition rate, surface roughness, leakage current, refractive index, and dielectric constant of the films were characterized. Moreover, optical emission spectroscopy was applied to monitor the plasma process at the different parameters. Electrical characteristics of SiO{sub x}C{sub y} and SiO{sub x}C{sub y}F{sub z} films with metal-oxide-semiconductor structure were investigated using current-voltage analysis to measure the leakage current and breakdown field, as well as capacitance-voltage analysis to obtain the film's dielectric constant. The results revealed that SiO{sub x}C{sub y} films, which are deposited at lower RF power produce more leakage current, meanwhile the dielectric constant and refractive index of these films decreased mainly due to the more porosity in the film structure. By adding CF{sub 4} in the deposition process, fluorine, the most electronegative and the least polarized atom, doped into the silica film and led to decrease in the refractive index and the dielectric constant. In addition, no breakdown field was observed in the electrical characteristics of SiO{sub x}C{sub y}F{sub z} films and the leakage current of these films reduced by increment of the CF{sub 4} flow.

  3. Comparison of laser-based mitigation of fused silica surface damage using mid- versus far-infrared lasers

    SciTech Connect (OSTI)

    Yang, S T; Matthews, M J; Elhadj, S; Cooke, D; Guss, G M; Draggoo, V G; Wegner, P J

    2009-12-16

    Laser induced growth of optical damage can limit component lifetime and therefore operating costs of large-aperture fusion-class laser systems. While far-infrared (IR) lasers have been used previously to treat laser damage on fused silica optics and render it benign, little is known about the effectiveness of less-absorbing mid-IR lasers for this purpose. In this study, they quantitatively compare the effectiveness and efficiency of mid-IR (4.6 {micro}m) versus far-IR (10.6 {micro}m) lasers in mitigating damage growth on fused silica surfaces. The non-linear volumetric heating due to mid-IR laser absorption is analyzed by solving the heat equation numerically, taking into account the temperature-dependent absorption coefficient {alpha}(T) at {lambda} = 4.6 {micro}m, while far-IR laser heating is well-described by a linear analytic approximation to the laser-driven temperature rise. In both cases, the predicted results agree well with surface temperature measurements based on infrared radiometry, as well as sub-surface fictive temperature measurements based on confocal Raman microscopy. Damage mitigation efficiency is assessed using a figure of merit (FOM) relating the crack healing depth to laser power required, under minimally-ablative conditions. Based on their FOM, they show that for cracks up to at least 500 {micro}m in depth, mitigation with a 4.6 {micro}m mid-IR laser is more efficient than mitigation with a 10.6 {micro}m far-IR laser. This conclusion is corroborated by direct application of each laser system to the mitigation of pulsed laser-induced damage possessing fractures up to 225 {micro}m in depth.

  4. A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania, and zirconia

    SciTech Connect (OSTI)

    Khaliullin, Rustam Z.; Bell, Alexis T.

    2002-09-05

    Density functional theory was used to investigate the mechanism and kinetics of methanol oxidation to formaldehyde over vanadia supported on silica, titania, and zirconia. The catalytically active site was modeled as an isolated VO{sub 4} unit attached to the support. The calculated geometry and vibrational frequencies of the active site are in good agreement with experimental measurements both for model compounds and oxide-supported vanadia. Methanol adsorption is found to occur preferentially with the rupture of a V-O-M bond (M = Si, Ti, Zr) and with preferential attachment of a methoxy group to V. The vibrational frequencies of the methoxy group are in good agreement with those observed experimentally as are the calculated isobars. The formation of formaldehyde is assumed to occur via the transfer of an H atom of a methoxy group to the O atom of the V=O group. The activation energy for this process is found to be in the range of 199-214 kJ/mol and apparent activation energies for the overall oxidation of methanol to formaldehyde are predicted to lie in the range of 112-123 kJ/mol, which is significantly higher than that found experimentally. Moreover, the predicted turnover frequency (TOF) for methanol oxidation is found to be essentially independent of support composition, whereas experiments show that the TOF is 10{sup 3} greater for titania- and zirconia-supported vanadia than for silica-supported vanadia. Based on these findings, it is proposed that the formation of formaldehyde from methoxy groups may require pairs of adjacent VO{sub 4} groups or V{sub 2}O{sub 7} dimer structures.

  5. SERI Desiccant Cooling Test Facility. Status report. Preliminary data on the performance of a rotary parallel-passage silica-gel dehumidifier

    SciTech Connect (OSTI)

    Schultz, K.J.

    1986-04-01

    This report describes the SERI Desiccant Cooling Test Facility. The facility can test bench-scale rotary dehumidifiers over a wide range of controlled conditions. We constructed and installed in the test loop a prototype parallel-passage rotary dehumidifier that has spirally wound polyester tape coated with silica gel. The initial tests gave satisfactory results indicating that approximately 90% of the silica gel was active and the overall Lewis number of the wheel was near unity. The facility has several minor difficulties including an inability to control humidity satisfactorily and nonuniform and highly turbulent inlet velocities. To completely validate the facility requires a range of dehumidifier designs. Several choices are available including constructing a second parallel-passage dehumidifier with the passage spacing more uniform.

  6. High-resolution study of photoinduced modification in fused silica produced by a tightly focused femtosecond laser beam in the presence of aberrations

    SciTech Connect (OSTI)

    Hnatovsky, C.; Taylor, R.S.; Simova, E.; Bhardwaj, V.R.; Rayner, D.M.; Corkum, P.B.

    2005-07-01

    An ultrahigh-resolution (20 nm) technique of selective chemical etching and atomic force microscopy has been used to study the photoinduced modification in fused silica produced at various depths by tightly focused femtosecond laser radiation affected by spherical aberration. We demonstrate that shapes of the irradiated zones near the threshold for modification can be predicted by taking proper account of spherical aberration caused by the refractive index mismatched air-silica interface. We establish a depth dependence of the pulse energy required to initiate modification and characterize the relationship between numerical aperture of the writing lens and practically achievable writing depth. We also show that spatial characteristics of the laser-modified zones can be controlled by a specially designed focusing system which allows correction for a variable amount of spherical aberration.

  7. Combining Multicomponent Seismic Attributes, New Rock Physics Models, and In Situ Data to Estimate Gas-Hydrate Concentrations in Deep-Water, Near-Seafloor Strata of the Gulf of Mexico

    SciTech Connect (OSTI)

    Bureau of Economic Geology

    2009-04-30

    The Bureau of Economic Geology was contracted to develop technologies that demonstrate the value of multicomponent seismic technology for evaluating deep-water hydrates across the Green Canyon area of the Gulf of Mexico. This report describes the methodologies that were developed to create compressional (P-P) and converted-shear (P-SV) images of near-seafloor geology from four-component ocean-bottom-cable (4C OBC) seismic data and the procedures used to integrate P-P and P-SV seismic attributes with borehole calibration data to estimate hydrate concentration across two study areas spanning 16 and 25 lease blocks (or 144 and 225 square miles), respectively. Approximately 200 km of two-dimensional 4C OBC profiles were processed and analyzed over the course of the 3-year project. The strategies we developed to image near-seafloor geology with 4C OBC data are unique, and the paper describing our methodology was peer-recognized with a Best Paper Award by the Society of Exploration Geophysicists in the first year of the project (2006). Among the valuable research findings demonstrated in this report, the demonstrated ability to image deep-water near-seafloor geology with sub-meter resolution using a standard-frequency (10-200 Hz) air gun array on the sea surface and 4C sensors on the seafloor has been the accomplishment that has received the most accolades from professional peers. Our study found that hydrate is pervasive across the two study areas that were analyzed but exists at low concentrations. Although our joint inversion technique showed that in some limited areas, and in some geologic units across those small areas, hydrates occupied up to 40-percent of the sediment pore space, we found that when hydrate was present, hydrate concentration tended to occupy only 10-percent to 20-percent of the pore volume. We also found that hydrate concentration tended to be greater near the base of the hydrate stability zone than it was within the central part of the stability zone.

  8. NMR study of the molecular dynamics of ethanol and 2,2,2-trifluoroethanol liquids confined to nanopores of porous silica glasses

    SciTech Connect (OSTI)

    Ballard, L.; Jonas, J.

    1996-05-29

    A dynamic nuclear magnetic resonance (NMR) study of the polar fluids ethanol (EtOH) and 2,2,2-trifluoroethanol (TFE) confined to porous silica sol-gel glasses is reported. The {sup 13}C NMR spin-lattice relaxation times, T{sub 1}, were measured in glasses with pore radii ranging from 18.9 to 54.8 A, over a temperature range from -13.6 to 30.5{degree}C. The data were analyzed in terms of the two-state, fast exchange model, and surface layer relaxation times, T{sub 1s}, were calculated. On the basis of surface enhancement factors, T{sub 1b}/T{sub 1s}, where T{sub 1b} is the relaxation time of the bulk liquid, it was concluded that the more acidic TFE has a weaker hydrogen bond interaction with silica, due to the fact that the alcohols serve as hydrogen bond acceptors. The experiment shows that EtOH and TFE have nearly identical surface layer viscosities, originating from the differences in hydrogen bonding with the silica surface. Confinement was found to have little effect on the internal rotation of terminal CF{sub 3} or CH{sub 3} groups. 32 refs., 2 figs., 3 tabs.

  9. Substrate effect on nanoporous structure of silica wires by channel-confined self-assembly of block-copolymer and sol-gel precursors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hu, Michael Z.; Lai, Peng

    2015-01-01

    Nanoporous silica wires of various wire diameters were developed by space-confined molecular self-assembly of triblock copolymer ethylene/propylene/ethylene (P123) and silica alkoxide precursor (tetraethylorthosilicate, TEOS). Two distinctive hard-templating substrates, anodized aluminum oxide (AAO) and track-etched polycarbonate (EPC), with channel diameters in the range between 10 nm and 200 nm were employed for space-confinement of soft molecular self-assembly driven by the block-copolymer microphase separation. It was observed in the scanning and transmission electron microscope (STEM) studies that the substrate geometry and material characteristics had pronounced effects on the structure and morphology of the silica nanowires. A substrate wall effect was proposed tomore » explain the ordering and orientation of the intra-wire mesostructure. Circular and spiral nanostructures were found only in wires formed in AAO substrate, not in EPC. Pore-size differences and distinctive wall morphologies of the nanowires relating to the substrates were discussed. It was shown that the material and channel wall characteristics of different substrates play key roles in the ordering and morphology of the intra-wire nanostructures.« less

  10. Substrate effect on nanoporous structure of silica wires by channel-confined self-assembly of block-copolymer and sol-gel precursors

    SciTech Connect (OSTI)

    Hu, Michael Z.; Lai, Peng

    2015-01-01

    Nanoporous silica wires of various wire diameters were developed by space-confined molecular self-assembly of triblock copolymer ethylene/propylene/ethylene (P123) and silica alkoxide precursor (tetraethylorthosilicate, TEOS). Two distinctive hard-templating substrates, anodized aluminum oxide (AAO) and track-etched polycarbonate (EPC), with channel diameters in the range between 10 nm and 200 nm were employed for space-confinement of soft molecular self-assembly driven by the block-copolymer microphase separation. It was observed in the scanning and transmission electron microscope (STEM) studies that the substrate geometry and material characteristics had pronounced effects on the structure and morphology of the silica nanowires. A substrate wall effect was proposed to explain the ordering and orientation of the intra-wire mesostructure. Circular and spiral nanostructures were found only in wires formed in AAO substrate, not in EPC. Pore-size differences and distinctive wall morphologies of the nanowires relating to the substrates were discussed. It was shown that the material and channel wall characteristics of different substrates play key roles in the ordering and morphology of the intra-wire nanostructures.

  11. Studies of n-butane conversion over silica-supported platinum, platinum-silver and platinum-copper catalysts

    SciTech Connect (OSTI)

    Gu, Junhua

    1992-06-09

    The present work was undertaken to elucidate effect of adding silver and copper to silica-supported platinum catalyst on the activity and selectivity in the n-butane reactions. At the conditions of this study n-butane underwent both hydrogenolysis and structural isomerization. The catalytic activity and selectivities between hydrogenolysis and isomerization and within hydrogenolysis were measured at temperature varying from 330 C to 370 C. For platinum-silver catalysts, at lower temperatures studied the catalytic activity per surface platinum atom (turnover frequency) remained constant at lower silver content (between 0 at. % and 30 at. %) and decreased with further increased silver loading, suggesting that low- index planes could be dominant in the hydrogenolysis of n-butane. Moreover, increasing silver content resulted in an enhancement of the selectivity of isomerization products relative to hydrogenolysis products. At the higher temperature studied, no suppression in catalytic activity was observed. It is postulated that surface structure could change due to the mobility of surface silver atoms, leading to surface silver atoms forming islands or going to the bulk, and leaving large portions of basal planes exposed with active platinum atoms. It is also suggested that the presence of inert silver atoms results in weakening of the H-surface bond. This results in increased mobility of hydrogen atoms on the surface and hence, higher reactivity with other adsorbed species. For platinum copper catalysts, the mixed ensembles could play an active role in the hydrogenolysis of n-butane.

  12. Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: Theoretical investigation by fragmentation methods

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    de Lima Batista, Ana P.; Zahariev, Federico; Slowing, Igor I.; Braga, Ataualpa A. C.; Ornellas, Fernando R.; Gordon, Mark S.

    2015-12-15

    The aldol reaction catalyzed by an amine-substituted mesoporous silica nanoparticle (amine-MSN) surface was investigated using a large molecular cluster model (Si392O958C6NH361) combined with the surface integrated molecular orbital/molecular mechanics (SIMOMM) and fragment molecular orbital (FMO) methods. Three distinct pathways for the carbinolamine formation, the first step of the amine-catalyzed aldol reaction, are proposed and investigated in order to elucidate the role of the silanol environment on the catalytic capability of the amine-MSN material. The computational study reveals that the most likely mechanism involves the silanol groups actively participating in the reaction, forming and breaking covalent bonds in the carbinolamine step.more » Furthermore, the active participation of MSN silanol groups in the reaction mechanism leads to a significant reduction in the overall energy barrier for the carbinolamine formation. In addition, a comparison between the findings using a minimal cluster model and the Si392O958C6NH361 cluster suggests that the use of larger models is important when heterogeneous catalysis problems are the target.« less

  13. Time-Resolved Imaging of Material Response Following Laser-Induced Breakdown in the Bulk and Surface of Fused Silica

    SciTech Connect (OSTI)

    Raman, R N; Negres, R A; DeMange, P; Demos, S G

    2010-02-04

    Optical components within high energy laser systems are susceptible to laser-induced material modification when the breakdown threshold is exceeded or damage is initiated by pre-existing impurities or defects. These modifications are the result of exposure to extreme conditions involving the generation of high temperatures and pressures and occur on a volumetric scale of the order of a few cubic microns. The response of the material following localized energy deposition, including the timeline of events and the individual processes involved during this timeline, is still largely unknown. In this work, we investigate the events taking place during the entire timeline in both bulk and surface damage in fused silica using a set of time-resolved microscopy systems. These microscope systems offer up to 1 micron spatial resolution when imaging static or dynamic effects, allowing for imaging of the entire process with adequate temporal and spatial resolution. These systems incorporate various pump-probe geometries designed to optimize the sensitivity for detecting individual aspects of the process such as the propagation of shock waves, near-surface material motion, the speed of ejecta, and material transformations. The experimental results indicate that the material response can be separated into distinct phases, some terminating within a few tens of nanoseconds but some extending up to about 100 microseconds. Overall the results demonstrate that the final characteristics of the modified region depend on the material response to the energy deposition and not on the laser parameters.

  14. Parametric study of the damage ring pattern in fused silica induced by multiple longitudinal modes laser pulses

    SciTech Connect (OSTI)

    Chambonneau, M. Grua, P.; Rullier, J.-L.; Lamaignère, L.; Natoli, J.-Y.

    2015-03-14

    With the use of multiple longitudinal modes nanosecond laser pulses at 1064 nm, laser damage sites at the exit surface of fused silica clearly and systematically exhibit ring patterns. It has been shown in our previous works that the apparent chronology of rings was closely related to the temporal shape of the laser pulses. This particular correspondence had suggested an explanation of the ring morphology formation based on the displacement of an ionization front in the surrounding air. To provide a former basis for this hypothesis and deeper understanding of ring pattern formation, additional experiments have been performed. First, the impact of fluence has been investigated, revealing that a wide variety of damage sites are produced within a very narrow fluence range; this fact involves the chronology of appearance of a surface plasma during the laser pulse. The sizes of the damage sites are proportional to the fluence of their expansion occurring between the beginning of the plasma and the end of the laser pulse. Second, specific experiments have been carried out at different angles of incidence, resulting in egg-shaped patterns rather than circular ones. This behavior can be explained by our previous hypothesis of creation of a plasma in air, its expansion being tightly conditioned by the illumination angle. This series of experiments, in which the angle of incidence is varied up to 80°, permits us to link quantitatively the working hypothesis of ionization front propagation with theoretical hydrodynamics modeling.

  15. Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: Theoretical investigation by fragmentation methods

    SciTech Connect (OSTI)

    de Lima Batista, Ana P.; Zahariev, Federico; Slowing, Igor I.; Braga, Ataualpa A. C.; Ornellas, Fernando R.; Gordon, Mark S.

    2015-12-15

    The aldol reaction catalyzed by an amine-substituted mesoporous silica nanoparticle (amine-MSN) surface was investigated using a large molecular cluster model (Si392O958C6NH361) combined with the surface integrated molecular orbital/molecular mechanics (SIMOMM) and fragment molecular orbital (FMO) methods. Three distinct pathways for the carbinolamine formation, the first step of the amine-catalyzed aldol reaction, are proposed and investigated in order to elucidate the role of the silanol environment on the catalytic capability of the amine-MSN material. The computational study reveals that the most likely mechanism involves the silanol groups actively participating in the reaction, forming and breaking covalent bonds in the carbinolamine step. Furthermore, the active participation of MSN silanol groups in the reaction mechanism leads to a significant reduction in the overall energy barrier for the carbinolamine formation. In addition, a comparison between the findings using a minimal cluster model and the Si392O958C6NH361 cluster suggests that the use of larger models is important when heterogeneous catalysis problems are the target.

  16. Ultralow-threshold laser and blue shift cooperative luminescence in a Yb{sup 3+} doped silica microsphere

    SciTech Connect (OSTI)

    Huang, Yantang Huang, Yu; Zhang, Peijin; Guo, Changlei; Department of Electronic Engineering, Institute of Optoelectronic Technology, Xiamen University, Xiamen, 361005

    2014-02-15

    An experimental investigation on ultralow threshold laser and blue shift cooperative luminescence (CL) in a Yb{sup 3+} doped silica microsphere (YDSM) with continuous-wave 976 nm laser diode pumping is reported. The experimental results show that the YDSM emits laser oscillation with ultralow threshold of 2.62 ?W, and the laser spectrum is modulated by the microsphere morphology characteristics. In addition, blue emission of YDSM is also observed with the increase of pump power, which is supposed to be generated by CL of excited Yb ion-pairs with the absorption of 976 nm photons and Si-O vibration phonons, and the process is explained with an energy level diagram. This property of the blue shift CL with phonons absorption in the Yb{sup 3+}doped microcavity makes it attractive for the application of laser cooling based on anti-Stokes fluorescence emission, if the Yb{sup 3+}doped microcavity made from with low phonon energy host materials.

  17. Monitoring Phase Behavior of Sub- and Supercritical CO2 Confined in Porous Fractal Silica with 85% Porosity

    SciTech Connect (OSTI)

    Melnichenko, Yuri B; Mayama, Dr Hiroyuki; Cheng, Gang; Cheng, Gang; Blach, Tomasz P

    2010-01-01

    Phase behavior of CO{sub 2} confined in porous fractal silica with volume fraction of SiO{sub 2} {phi}{sub 5} = 0.15 was investigated using small-angle neutron scattering (SANS) and ultrasmall-angle neutron scattering (USANS) techniques. The range of fluid densities (0 < ({rho}{sub CO{sub 2}}){sub bulk} < 0.977 g/cm{sup 3}) and temperatures (T = 22 C, 35 and 60 C) corresponded to gaseous, liquid, near critical and supercritical conditions of the bulk fluid. The results revealed formation of a dense adsorbed phase in small pores with sizes D < 40 {angstrom} at all temperatures. At low pressure (P < 55 bar, ({rho}{sub CO{sub 2}}){sub bulk} < 0.2 g/cm{sup 3}) the average fluid density in pores may exceed the density of bulk fluid by a factor up to 6.5 at T = 22 C. This 'enrichment factor' gradually decreases with temperature, however significant fluid densification in small pores still exists at temperature T = 60 C, i.e., far above the liquid?gas critical temperature of bulk CO{sub 2} (T{sub c} = 31.1 C). Larger pores are only partially filled with liquid-like adsorbed layer which coexists with unadsorbed fluid in the pore core. With increasing pressure, all pores become uniformly filled with the fluid, showing no measurable enrichment or depletion of the porous matrix with CO{sub 2}.

  18. Engineering MulticomponentNanocatalystsfor Oxygen Reduction ...

    Office of Scientific and Technical Information (OSTI)

    States Language: English Subject: Energy Storage(25); Materials Science(36); Nanoscience & Nanotechnology(77) Energy Sciences; Inorganic and Physical Chemistry; Material Science

  19. Multi-Component Harvesting of Wheat Straw

    SciTech Connect (OSTI)

    None

    2006-06-01

    The objective of this project is to develop commercially-viable technologies that will potentially overcome these barriers and enable the use of wheat residues as an inexpensive feedstock resource.

  20. Multicomponent Protein Cage Architectures for Photocatalysis

    SciTech Connect (OSTI)

    Douglas, Trevor

    2014-11-21

    The central focus of the work performed under this award has been to develop the bacteriophage P22 viral capsid as a vehicle for the encapsulation of catalyticaly active cargo materials and study their utility towards economic energy harvesting systems. We have demonstrated that the capsid of the bacteriophage P22 can be used to genetically program the assembly and encapsulation of a range of inorganic nanoparticles and protein cargoes. The P22 capsid uses a scaffold protein (SP) to direct the assembly of its coat protein (CP) into icosahedral capsids. By creating a genetic fusion of a desired cargo enzyme or a small peptide that can act as a nucleation site for subsequent NP growth, we have demonstrated the co-assembly of these SP-fusions and CP into stable “nano-reactors”. The cargo is sequestered inside the engineered capsid and can either be used directly as a nanocatalyst or for the nucleation and growth of inorganic or organic nanoparticles or polymers. The synthetic cargos (NP or polymers) were shown to have photocatalytic activity. The time dependent photophysics of a select few of these systems were studied to determine the underlying mechanisms and efficiency of light harversting. Enzyme cargos encapsulated within the P22 were thermally activated catalysts and their kinetic behavior was characterized. During the course of this work we have demonstrated that the method is a robust means to harness biology for materials applications and have initiated work into assembling the P22 nanoreactors into hierarchically ordered materials. The successful implementation of the work performed under this DOE grant provides us with a great deal of knowledge and a library of components to go forward towards the development of bioinspired catalytic materials for energy harvesting.

  1. Multi-component hydrogen storage material

    DOE Patents [OSTI]

    Faheem, Syed A.; Lewis, Gregory J.; Sachtler, J.W. Adriaan; Low, John J.; Lesch, David A.; Dosek, Paul M.; Wolverton, Christopher M.; Siegel, Donald J.; Sudik, Andrea C.; Yang, Jun

    2010-09-07

    A reversible hydrogen storage composition having an empirical formula of: Li.sub.(x+z)N.sub.xMg.sub.yB.sub.zH.sub.w where 0.4.ltoreq.x.ltoreq.0.8; 0.2.ltoreq.y.ltoreq.0.6; 0

  2. Laser damage by ns and sub-ps pulses on hafnia/silica anti-reflection coatings on fused silica double-sided polished using zirconia or ceria and washed with or without an alumina wash step.

    SciTech Connect (OSTI)

    Bellum, John Curtis; Rambo, Patrick K.; Schwarz, Jens; Kletecka, Damon; Atherton, Briggs W.; Kimmel, Mark W.; Smith, Ian Craig; Smith, Douglas; Hobbs, Zachary

    2010-10-01

    Sandia's Large Optics Coating Operation has extensive results of laser induced damage threshold (LIDT) testing of its anti-reflection (AR) and high reflection coatings on substrates pitch polished using ceria and washed in a process that includes an alumina wash step. The purpose of the alumina wash step is to remove residual polishing compound to minimize its role in laser damage. These LIDT tests are for multi longitudinal mode, ns class pulses at 1064 nm and 532 nm (NIF-MEL protocol) and mode locked, sub-ps class pulses at 1054 nm (Sandia measurements), and show reasonably high and adequate laser damage resistance for coatings in the beam trains of Sandia's Z-Backlighter terawatt and petawatt lasers. An AR coating in addition to coatings of our previous reports confirms this with LIDTs of 33.0 J/cm{sup 2} for 3.5 ns pulses and 1.8 J/cm{sup 2} for 350 fs pulses. In this paper, we investigate both ceria and zirconia in doublesided polishing (common for large flat Z-Backlighter laser optics) as they affect LIDTs of an AR coating on fused silica substrates washed with or without the alumina wash step. For these AR coated, double-sided polished surfaces, ceria polishing in general affords better resistance to laser damage than zirconia polishing and laser damage is less likely with the alumina wash step than without it. This is supported by specific results of laser damage tests with 3.5 ns, multi longitudinal mode, single shot pulses at 1064 nm and 532 nm, with 7.0 ns, single and multi longitudinal mode, single and multi shot pulses at 532 nm, and with 350 fs, mode-locked, single shot pulses at 1054 nm.

  3. Improved Mobility Control for Carbon Dioxide (CO{sub 2}) Enhanced Oil Recovery Using Silica-Polymer-Initiator (SPI) Gels

    SciTech Connect (OSTI)

    Oglesby, Kenneth

    2014-01-31

    SPI gels are multi-component silicate based gels for improving (areal and vertical) conformance in oilfield enhanced recovery operations, including water-floods and carbon dioxide (CO{sub 2}) floods, as well as other applications. SPI mixtures are like-water when pumped, but form light up to very thick, paste-like gels in contact with CO{sub 2}. When formed they are 3 to 10 times stronger than any gelled polyacrylamide gel now available, however, they are not as strong as cement or epoxy, allowing them to be washed / jetted out of the wellbore without drilling. This DOE funded project allowed 8 SPI field treatments to be performed in 6 wells (5 injection wells and 1 production well) in 2 different fields with different operators, in 2 different basins (Gulf Coast and Permian) and in 2 different rock types (sandstone and dolomite). Field A was in a central Mississippi sandstone that injected CO{sub 2} as an immiscible process. Field B was in the west Texas San Andres dolomite formation with a mature water-alternating-gas miscible CO{sub 2} flood. Field A treatments are now over 1 year old while Field B treatments have only 4 months data available under variable WAG conditions. Both fields had other operational events and well work occurring before/ during / after the treatments making definitive evaluation difficult. Laboratory static beaker and dynamic sand pack tests were performed with Ottawa sand and both fields’ core material, brines and crude oils to improve SPI chemistry, optimize SPI formulations, ensure SPI mix compatibility with field rocks and fluids, optimize SPI treatment field treatment volumes and methods, and ensure that strong gels set in the reservoir. Field quality control procedures were designed and utilized. Pre-treatment well (surface) injectivities ranged from 0.39 to 7.9 MMCF/psi. The SPI treatment volumes ranged from 20.7 cubic meters (m{sup 3}, 5460 gallons/ 130 bbls) to 691 m{sup 3} (182,658 gallons/ 4349 bbls). Various size and types of chemical/ water buffers before and after the SPI mix ensured that pre-gelled SPI mix got out into the formation before setting into a gel. SPI gels were found to be 3 to 10 times stronger than any commercially available cross-linked polyacrylamide gels based on Penetrometer and Bulk Gel Shear Testing. Because of SPI’s unique chemistry with CO{sub 2}, both laboratory and later field tests demonstrated that multiple, smaller volume SPI treatments maybe more effective than one single large SPI treatment. CO{sub 2} injectivities in injection well in both fields were reduced by 33 to 70% indicating that injected CO{sub 2} is now going into new zones. This reduction has lasted 1+ year in Field A. Oil production increased and CO{sub 2} production decreased in 5 Field A production wells, offsets to Well #1 injector, for a total of about 2,250 m{sup 3} (600,000 gallons/ 14,250 bbls) of incremental oil production- a $140 / SPI bbl return. Treated marginal production well, Field A Well #2, immediately began showing increased oil production totaling 238 m{sup 3} (63,000 gallons/ 1500 BBLs) over 1 year and an immediate 81% reduced gas-oil ratio.

  4. Mass fractal characteristics of silica sonogels as determined by small-angle x-ray scattering and nitrogen adsorption

    SciTech Connect (OSTI)

    Donatti, D.A.; Vollet, D.R.; Ibanez Ruiz, A.; Mesquita, A.; Silva, T.F.P. [Unesp-Universidade Estadual Paulista, IGCE, Departamento de Fisica, P.O. Box 178 CEP, 13500-970 Rio Claro, Sao Paulo (Brazil)

    2005-01-01

    A sample series of silica sonogels was prepared using different water-tetraethoxysilane molar ratio (r{sub w}) in the gelation step of the process in order to obtain aerogels with different bulk densities after the supercritical drying. The samples were analyzed by means of small-angle x-ray-scattering (SAXS) and nitrogen-adsorption techniques. Wet sonogels exhibit mass fractal structure with fractal dimension D increasing from {approx}2.1 to {approx}2.4 and mass-fractal correlation length {xi} diminishing from {approx}13 nm to {approx}2 nm, as r{sub w} is changed in the nominal range from 66 to 6. The process of obtaining aerogels from sonogels and heat treatment at 500 deg. C, in general, increases the mass-fractal dimension D, diminishes the characteristic length {xi} of the fractal structure, and shortens the fractal range at the micropore side for the formation of a secondary structured particle, apparently evolved from the original wet structure at a high resolution level. The overall mass-fractal dimension D of aerogels was evaluated as {approx}2.4 and {approx}2.5, as determined from SAXS and from pore-size distribution by nitrogen adsorption, respectively. The fine structure of the 'secondary particle' developed in the obtaining of aerogels could be described as a surface-mass fractal, with the correlated surface and mass-fractal dimensions decreasing from {approx}2.4 to {approx}2.0 and from {approx}2.7 to {approx}2.5, respectively, as the aerogel bulk density increases from 0.25 (r{sub w}=66) up to 0.91 g/cm{sup 3} (r{sub w}=6)

  5. Particle Restabilization in Silica/PEG/Ethanol Suspensions: How Strongly do Polymers Need To Adsorb To Stabilize Against Aggregation?

    SciTech Connect (OSTI)

    Kim, So Youn; Zukoski, Charles F.

    2014-09-24

    We study the effects of increasing the concentration of a low molecular weight polyethylene glycol on the stability of 44 nm diameter silica nanoparticles suspended in ethanol. Polymer concentration, c{sub p}, is increased from zero to that characterizing the polymer melt. Particle stability is accessed through measurement of the particle second-virial coefficient, B{sub -2}, performed by light scattering and ultrasmall angle X-ray scattering (USAXS). The results show that at low polymer concentration, c{sub p} < 3 wt %, B{sub -2} values are positive, indicating repulsive interactions between particles. B{sub -2} decreases at intermediate concentrations (3 wt % < c{sub p} < 50 wt %), and particles aggregates are formed. At high concentrations (50 wt % < c{sub p}) B{sub -2} increases and stabilizes at a value expected for hard spheres with a diameter near 44 nm, indicating the particles are thermodynamically stable. At intermediate polymer concentrations, rates of aggregation are determined by measuring time-dependent changes in the suspension turbidity, revealing that aggregation is slowed by the necessity of the particles diffusing over a repulsive barrier in the pair potential. The magnitude of the barrier passes through a minimum at c{sub p} {approx} 12 wt % where it has a value of {approx}12kT. These results are understood in terms of a reduction of electrostatic repulsion and van der Waals attractions with increasing c{sub p}. Depletion attractions are found to play a minor role in particle stability. A model is presented suggesting displacement of weakly adsorbed polymer leads to slow aggregation at intermediate concentration, and we conclude that a general model of depletion restabilization may involve increased strength of polymer adsorption with increasing polymer concentration.

  6. In situ formation of sintered cordieritemullite nanomicro composites by utilizing of waste silica fume

    SciTech Connect (OSTI)

    Khattab, R.M.; EL-Rafei, A.M.; Zawrah, M.F.

    2012-09-15

    Highlights: ? We succeeded to obtain in situ formed sintered cordieritemullite nanomacro composites from waste and pure materials at 1400 C. ? Their sinterability was greatly dependent on both firing temperature and composition. ? XRD patterns showed that the optimum temperature required for formation of sintered cordieritemullite nanomacro composites was achieved at 1400 C. ? The batch containing 70 wt.% cordierite and 30 wt.% mullite exhibited the best properties. ? Microstructures of the densified composites were composed of nanomacro cordieritemullite structures. -- Abstract: This study aims at in situ formation of sintered cordieritemullite nanomacro composites having high technological properties using waste silica fume, calcined ball clay, calcined alumina, and magnesia as starting materials. The starting materials were mixed in different ratios to obtain different cordieritemullite composite batches in which the cordierite contents ranged from 50 to 100 wt.%. The batches were uni-axially pressed at 100 MPa and sintered at 1350, 1400 and 1450 C to select the optimum temperature required for cordieritemullite nanomacro composites formation. The formed phases were identified by X-ray diffraction (XRD) pattern. The sintering parameters in terms of bulk density (BD) and apparent porosity (AP) were determined. The microstructure of composites has been investigated by scanning electron microscope (SEM). Cold crushing strength (CCS) of the sintered batches was evaluated. The result revealed that the cordieritemullite nanomacro composites were in-situ formed at 1400 C. The batch containing 70 wt.% cordierite showed good physical and mechanical properties.

  7. Nature of =~SiOCrO(2)CI And (=~SiO)(2)CrO(2) Sites Prepared By Grafting CrO(2)CI(2) Onto Silica

    SciTech Connect (OSTI)

    Demmelmaier, C.A.; White, R.E.; Bokhoven, J.A.van; Scott, S.L.

    2009-05-14

    The room-temperature reaction between chromyl chloride and Sylopol 952 silicas pretreated at 200, 450, and 800 C was investigated using IR, XANES, and EXAFS spectroscopy, as well as by DFT modeling. On the silicas pretreated at 200 and 450 C, the structurally uniform sites formed by the reaction with one surface hydroxyl group are described as {triple_bond}SiOCrO{sub 2}Cl. Unreacted silanols persist on these silicas even in the presence of excess CrO{sub 2}Cl{sub 2}, and on the silica pretreated at 200 C some participate in hydrogen bonding with the grafted monochlorochromate sites. On the silica pretreated at 800 C, both {triple_bond}SiOCrO{sub 2}Cl and ({triple_bond}SiO){sub 2}CrO{sub 2} sites are formed. The latter are produced despite the absence of hydrogen-bonded hydroxyl pairs on the support. The origin of the chromate sites is proposed to be the reaction between CrO{sub 2}Cl{sub 2} and hydroxyl-substituted siloxane 2-rings. These rings are likely formed at 800 C by condensation between a pair of vicinal silanols in which one of the silanols is also a member of a geminal pair.

  8. An HRTEM investigation of the metastable low-temperature silica phase opal-CT in cherts and porcelanites from the Monterey Formation, CA

    SciTech Connect (OSTI)

    Cady, S.L.; Wenk, H.R. )

    1992-01-01

    High resolution transmission electron microscopy (HRTEM) is used to investigate the metastable low-temperature silica phase opal-CT in cherts and porcelanites from the Miocene Monterey Formation of California. Low-dose imaging techniques developed to image highly beam sensitive proteins were used in this study and have resulted in good phase contrast images of this hydrous silica phase. Detailed X-ray powder diffraction studies of stratigraphically equivalent rocks along the Santa Barbara coast indicate that the primary d-spacing of newly formed opal-CT differs in rocks with different ratios of silica and detrital minerals. Opal-CT forms progressively later and with a smaller primary d-spacing in rocks with increasing amounts of detrital minerals. In siliceous cherts opal-CT occurs as long needles that most often form dense spherulitic fiber bundles which are randomly dispersed within the rock matrix. The random orientation of fiber bundle nucleation centers does not appear to be associated with any obvious nucleation site, unlike the length-slow opal-CT fibers known as lussatite. Opal-CT needles produce optical diffractogram patterns that are compatible with tridymite and crystobalite. Streaking in the diffraction pattern of individual needles is attributed to a high density of planar defects parallel to their length. Planar defects are not as abundant in opal-CT needles formed in detrital-rich rocks suggesting the rapid growth of opal-CT in highly siliceous environments results in a greater proportion of stacking disorder in the needles. HRTEM provides a method for investigating the development of the microstructure of opal-CT during diagenesis.

  9. Near infrared radio-luminescence of O{sub 2} loaded radiation hardened silica optical fibers: A candidate dosimeter for harsh environments

    SciTech Connect (OSTI)

    Di Francesca, D.; Girard, S.; Boukenter, A.; Ouerdane, Y.; Agnello, S.; Gelardi, F. M.; Marcandella, C.; Paillet, P.

    2014-11-03

    We report on an experimental investigation of the infrared Radio-Luminescence (iRL) emission of interstitial O{sub 2} molecules loaded in radiation hardened pure-silica-core and fluorine-doped silica-based optical fibers (OFs). The O{sub 2} loading treatment successfully dissolved high concentrations of oxygen molecules into the silica matrix. A sharp luminescence at 1272 nm was detected when 2.5 cm of the treated OFs were irradiated with 10 keV X-rays. This emission originates from the radiative decay of the first excited singlet state of the embedded O{sub 2} molecules. The dose, dose-rate, and temperature dependencies of the infrared emission are studied through in situ optical measurements. The results show that the iRL is quite stable in doses of up to 1 MGy(SiO{sub 2}) and is linearly dependent on the dose-rate up to the maximum investigated dose-rate of ∼200 kGy(SiO{sub 2})/h. The temperature dependency of the iRL shows a decrease in efficiency above 200 °C, which is attributed to the non-radiative decay of the excited O{sub 2} molecules. The results obtained and the long-term stability of the O{sub 2}-loading treatment (no out-gassing effect) strongly suggest the applicability of these components to real-time remote dosimetry in environments characterized by high radiation doses and dose-rates.

  10. Detection of Amorphous Silica in Air-Oxidized Ti3SiC2 at 500-1000°C by NMR and SIMS

    SciTech Connect (OSTI)

    Pang, Wei Kong; Low, I M; Hanna, J V

    2010-11-12

    The use of secondary-ion mass spectrometry (SIMS), nuclear magnetic resonance (NMR) and transmission electron microscopy (TEM) to detect the existence of amorphous silica in Ti3SiC2 oxidised at 500-1000 ºC is described. The formation of an amorphous SiO2 layer and its growth in thickness with temperature was monitored using dynamic SIMS. Results of NMR and TEM verify for the first time the direct evidence of amorphous silica formation during the oxidation of Ti3SiC2 at 1000 ºC.

  11. Preparation of magnetic photocatalyst nanoparticlesTiO{sub 2}/SiO{sub 2}/MnZn ferriteand its photocatalytic activity influenced by silica interlayer

    SciTech Connect (OSTI)

    Laohhasurayotin, Kritapas; Pookboonmee, Sudarat; Viboonratanasri, Duangkamon; Kangwansupamonkon, Wiyong

    2012-06-15

    Highlights: ? TiO{sub 2}/SiO{sub 2}/MnZn ferrite acts as magnetic photocatalyst nanoparticle. ? SiO{sub 2} interlayer is used to prevent electron migration between photocatalyst and magnetic core. ? TiO{sub 2}/MnZn ferrite without SiO{sub 2} interlayer shows poor magnetic and photocatalytic property. -- Abstract: A magnetic photocatalyst, TiO{sub 2}/SiO{sub 2}/MnZn ferrite, was prepared by stepwise synthesis involving the co-precipitation of MnZn ferrite as a magnetic core, followed by a coating of silica as the interlayer, and titania as the top layer. The particle size and distribution of magnetic nanoparticles were found to depend on the addition rate of reagent and dispersing rate of reaction. The X-ray diffractometer and transmission electron microscope were used to examine the crystal structures and the morphologies of the prepared composites. Vibrating sample magnetometer was also used to reveal their superparamagnetic property. The UVVis spectrophotometer was employed to monitor the decomposition of methylene blue in the photocatalytic efficient study. It was found that at least a minimum thickness of the silica interlayer around 20 nm was necessary for the inhibition of electron transference initiated by TiO{sub 2} and MnZn ferrite.

  12. Dynamics of Propane in Silica Mesopores Formed upon PropyleneHydrogenation over Pt Nanoparticles by Time-Resolved FT-IRSpectroscopy

    SciTech Connect (OSTI)

    Waslylenko, Walter; Frei, Heinz

    2007-01-31

    Propylene hydrogenation over Pt nanoparticles supported onmesoporous silica type SBA-15 was monitored by time-resolved FT-IRspectroscopy at 23 ms resolution using short propylene gas pulses thatjoined a continuous flow of hydrogen in N2 (1 atm total pressure).Experiments were conducted in the temperature range 323-413 K. Propanewas formed within 100 milliseconds or faster. The CH stretching regionrevealed distinct bands for propane molecules emerging inside thenanoscale channels of the silica support. Spectral analysis gave thedistribution of the propane product between support and surrounding gasphase as function of time. Kinetic analysis showed that the escape ofpropane molecules from the channels occurred within hundreds ofmilliseconds (3.1 + 0.4 s-1 at 383 K). A steady state distribution ofpropane between gas phase and mesoporous support is established as theproduct is swept from the catalyst zone by the continuous flow ofhydrogen co-reactant. This is the first direct spectroscopic observationof emerging products of heterogeneous catalysis on nanoporous supportsunder reaction conditions.

  13. Fluorinated silica microchannel surfaces

    DOE Patents [OSTI]

    Kirby, Brian J.; Shepodd, Timothy Jon

    2005-03-15

    A method for surface modification of microchannels and capillaries. The method produces a chemically inert surface having a lowered surface free energy and improved frictional properties by attaching a fluorinated alkane group to the surface. The coating is produced by hydrolysis of a silane agent that is functionalized with either alkoxy or chloro ligands and an uncharged C.sub.3 -C.sub.10 fluorinated alkane chain. It has been found that the extent of surface coverage can be controlled by controlling the contact time from a minimum of about 2 minutes to a maximum of 120 minutes for complete surface coverage.

  14. Stable photoluminescence of zinc oxide quantum dots in silica nanoparticles matrix prepared by the combined sol{endash}gel and spray drying method

    SciTech Connect (OSTI)

    Mikrajuddin; Iskandar, F.; Okuyama, K.; Shi, F. G.

    2001-06-01

    A sol{endash}gel method was employed to produce a zinc oxide (ZnO) colloid consisting of ZnO nanocrystalline particles with an average diameter of {similar_to}3 nm, and subsequently mixed with a silica (SiO{sub 2}) colloid. The mixture was finally spray dried to form a powder nanocomposite. It was found that the green photoluminescence (PL) exhibited by the composite was very stable: the intensity, position, and shape do not change even after being aged over 30 days. Thus, the ZnO/SiO{sub 2} nanocomposite has a much improved PL stability over ZnO colloids, which is often found to undergo a significant redshift even after aging over a few days. Our results are expected to have significant technological implications. {copyright} 2001 American Institute of Physics.

  15. Time-resolved x-ray imaging of high-power laser-irradiated under-dense silica aerogels and agar foams

    SciTech Connect (OSTI)

    Koch, J.A.; Estabrook, K.G.; Bauer, J.D. [and others

    1995-08-01

    This paper presents the results of experiments in which a high-power laser was used to irradiate low density (4 - 9 mg/cm{sup 3}) silica aerogel and agar foam targets. The laser-solid interaction and energy transport through the material were monitored with time-resolved imaging diagnostics, and the data show the production and propagation of an x-ray emission front in the plasma. The emission-front trajectory data are found to be in significant disagreement with detailed simulations, which predict a much more rapid heating of the cold material, and the data suggest that this discrepancy is not explainable by target inhomogeneities. Evidence suggests that energy transport into the cold material may be dominated by thermal conduction; however, no completely satisfactory explanation for the discrepancies is identified, and further experimental and theoretical research is necessary in order to resolve this important problem in laser-plasma interaction physics.

  16. The effect of pulse duration on the growth rate of laser-induced damage sites at 351 nm on fused silica surfaces

    SciTech Connect (OSTI)

    Negres, R A; Norton, M A; Liao, Z M; Cross, D A; Bude, J D; Carr, C W

    2009-10-29

    Past work in the area of laser-induced damage growth has shown growth rates to be primarily dependent on the laser fluence and wavelength. More recent studies suggest that growth rate, similar to the damage initiation process, is affected by a number of additional parameters including pulse duration, pulse shape, site size, and internal structure. In this study, we focus on the effect of pulse duration on the growth rate of laser damage sites located on the exit surface of fused silica optics. Our results demonstrate, for the first time, a significant dependence of growth rate at 351 nm on pulse duration from 1 ns to 15 ns as {tau}{sup 0.3} for sites in the 50-100 {micro}m size range.

  17. Mesoporous Silica Nanoparticles Loaded with Surfactant: Low Temperature Magic Angle Spinning 13C and 29Si NMR Enhanced by Dynamic Nuclear Polarization

    SciTech Connect (OSTI)

    Lafon, Olivier; Thankamony, Aany S. Lilly; Kokayashi, Takeshi; Carnevale, Diego; Vitzthum, Veronika; Slowing, Igor I.; Kandel, Kapil; Vezin, Herve; Amoureux, Jean-Paul; Bodenhausen, Geoffrey; Pruski, Marek

    2012-12-21

    We show that dynamic nuclear polarization (DNP) can be used to enhance NMR signals of 13C and 29Si nuclei located in mesoporous organic/inorganic hybrid materials, at several hundreds of nanometers from stable radicals (TOTAPOL) trapped in the surrounding frozen disordered water. The approach is demonstrated using mesoporous silica nanoparticles (MSN), functionalized with 3-(N-phenylureido)propyl (PUP) groups, filled with the surfactant cetyltrimethylammonium bromide (CTAB). The DNP-enhanced proton magnetization is transported into the mesopores via 1H1H spin diffusion and transferred to rare spins by cross-polarization, yielding signal enhancements ?on/off of around 8. When the CTAB molecules are extracted, so that the radicals can enter the mesopores, the enhancements increase to ?on/off ? 30 for both nuclei. A quantitative analysis of the signal enhancements in MSN with and without surfactant is based on a one-dimensional proton spin diffusion model. The effect of solvent deuteration is also investigated.

  18. Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41

    SciTech Connect (OSTI)

    Kim, Hyun Jeong; Karkamkar, Abhijeet J.; Autrey, Thomas; Chupas, Peter; Proffen, Thomas E.

    2009-09-30

    The structure of ammonia borane (AB), NH3BH3, infused in mesoporous silica MCM-41 and its evolution over the temperature range of 80 to 300 K was investigated using the atomic pair distribution function (PDF) analysis of synchrotron X-ray powder diffraction data in order to understand the origin of improved dehydrogenation properties of the system. Our study shows how X-ray PDF analysis can be used to elucidate the structure of light guest species loaded in mesoporous silica materials despite of its low scattering power of composed elements (N, B, and H) compared to its host (SiO2). PDF analyses of two AB-loaded compositions with weight ratio AB:MCM-41=1:1 and 3:1 provide a strong evidence that AB aggregate, previously found in AB:MCM-41?1:1 samples, is same species as neat AB. For both of them an orthorhombic to tetragonal structural phase transition occurs at 225 K on warming. On the other hand, AB residing inside meso-pores, which is found in AB:MCM-41=1:2 sample, does not undergo such phase transition. It rather stays in tetragonal phase over a wide temperature range of 110 to 240 K and starts to lose structural correlation above 240 K. This strongly suggests that nano-confinement of AB inside meso-pores stabilizes high temperature tetragonal phase at much lower temperature. These results provide important clues to two critical questions: why nan-compositions of AB leads dehydrogenation to lower temperature and why the neat AB like propoerties are recovered at high AB loading samples. This work was supported by the US Department of Energy Office of Basic Energy Sciences, Chemical Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  19. Characterisation of amorphous silica in air-oxidised Ti3SiC2 at 500-1000 °C using secondary-ion mass spectrometry, nuclear magnetic resonance and transmission electron microscopy

    SciTech Connect (OSTI)

    Pang, W K; Low, I M; Hanna, J V

    2010-05-18

    In this paper we have described the use of secondary-ion mass spectrometry (SIMS), solid state {sup 29}Si magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) and transmission electron microscopy (TEM) to detect the existence of amorphous silica in Ti{sub 3}SiC{sub 2} oxidised at 500-1000 C. The formation of amorphous SiO{sub 2} and growth of crystalline TiO{sub 2} with temperature was monitored using dynamic SIMS and synchrotron radiation diffraction. A duplex structure with an outer TiO{sub 2}-rich layer and an inner mixed layer of SiO{sub 2} and TiO{sub 2} was observed. Results of NMR and TEM verified for the first time the direct evidence of amorphous silica formation during the oxidation of Ti{sub 3}SiC{sub 2} at the temperature range 500-1000 C.

  20. Improved Geothermometry Through Multivariate Reaction-path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators: Final Report

    SciTech Connect (OSTI)

    Mattson, Earl; Smith, Robert; Fujita, Yoshiko; McLing, Travis; Neupane, Ghanashyam; Palmer, Carl; Reed, David; Thompson, Vicki

    2015-03-01

    The project was aimed at demonstrating that the geothermometric predictions can be improved through the application of multi-element reaction path modeling that accounts for lithologic and tectonic settings, while also accounting for biological influences on geochemical temperature indicators. The limited utilization of chemical signatures by individual traditional geothermometer in the development of reservoir temperature estimates may have been constraining their reliability for evaluation of potential geothermal resources. This project, however, was intended to build a geothermometry tool which can integrate multi-component reaction path modeling with process-optimization capability that can be applied to dilute, low-temperature water samples to consistently predict reservoir temperature within ±30 °C. The project was also intended to evaluate the extent to which microbiological processes can modulate the geochemical signals in some thermal waters and influence the geothermometric predictions.

  1. Research and Development of a New Silica-Alumina Based Cementitious Material Largely Using Coal Refuse for Mine Backfill, Mine Sealing and Waste Disposal Stabilization

    SciTech Connect (OSTI)

    Henghu Sun; Yuan Yao

    2012-06-29

    Coal refuse and coal combustion byproducts as industrial solid waste stockpiles have become great threats to the environment. To activate coal refuse is one practical solution to recycle this huge amount of solid waste as substitute for Ordinary Portland Cement (OPC). The central goal of this project is to investigate and develop a new silica-alumina based cementitious material largely using coal refuse as a constituent that will be ideal for durable construction, mine backfill, mine sealing and waste disposal stabilization applications. This new material is an environment-friendly alternative to Ordinary Portland Cement. The main constituents of the new material are coal refuse and other coal wastes including coal sludge and coal combustion products (CCPs). Compared with conventional cement production, successful development of this new technology could potentially save energy and reduce greenhouse gas emissions, recycle vast amount of coal wastes, and significantly reduce production cost. A systematic research has been conducted to seek for an optimal solution for enhancing pozzolanic reactivity of the relatively inert solid waste-coal refuse in order to improve the utilization efficiency and economic benefit as a construction and building material.

  2. Methanol Decomposition over Palladium Particles Supported on Silica: Role of Particle Size and Co-Feeding Carbon Dioxide on the Catalytic Properties

    SciTech Connect (OSTI)

    Hokenek, Selma; Kuhn, John N. (USF)

    2012-10-23

    Monodisperse palladium particles of six distinct and controlled sizes between 4-16 nm were synthesized in a one-pot polyol process by varying the molar ratios of the two palladium precursors used, which contained palladium in different oxidation states. This difference permitted size control by regulation of the nucleation rate because low oxidation state metals ions nucleate quickly relative to high oxidation state ions. After immobilization of the Pd particles on silica by mild sonication, the catalysts were characterized by X-ray absorption spectroscopy and applied toward catalytic methanol decomposition. This reaction was determined as structure sensitive with the intrinsic activity (turnover frequency) increasing with increasing particle size. Moreover, observed catalytic deactivation was linked to product (carbon monoxide) poisoning. Co-feeding carbon dioxide caused the activity and the amount of deactivation to decrease substantially. A reaction mechanism based on the formation of the {pi}-bond between carbon and oxygen as the rate-limiting step is in agreement with antipathetic structure sensitivity and product poisoning by carbon monoxide.

  3. Modifications under irradiation of a self-assembled monolayer grafted on a nano-porous silica glass: a solid-state NMR characterization

    SciTech Connect (OSTI)

    Le Caer, S.; Chatelain, C.; Renault, J.Ph.; Brunet, F.; Charpentier, T.; Durand, D.; Dauvois, V.

    2012-02-15

    Controlled pore glasses with a pore size of 8 nm are grafted with chlorodimethylsilane (ClSi(CH{sub 3}){sub 2}H). The surface of the glass is carefully characterized before and after irradiation with 10 MeV electrons by solid-state NMR measurements. {sup 1}H MAS NMR experiments in one and two dimensions (2D double quantum and 2D exchange) have been used to reveal the grafting of the chlorodimethylsilane at the silica surface and evidence the formation of a homogeneous layer on the surface. Irradiation leads to a high H{sub 2} yield (3.3 * 10{sup -7} mol/J) due to the efficient cleavage of the Si H bond. Methane is detected in smaller quantities (5.5 * 10{sup -8} mol/J), indicating that the Si-H bond is preferentially cleaved over the Si-C bond. The H{sub 2} production arising from OH groups on the surface is very minor in comparison to the S- H and Si-C radiolysis. (authors)

  4. GRIZZLY Model of Multi-Reactive Species Diffusion, Moisture/Heat Transfer and Alkali-Silica Reaction for Simulating Concrete Aging and Degradation

    SciTech Connect (OSTI)

    Huang, Hai; Spencer, Benjamin W.; Cai, Guowei

    2015-09-01

    Concrete is widely used in the construction of nuclear facilities because of its structural strength and its ability to shield radiation. The use of concrete in nuclear power plants for containment and shielding of radiation and radioactive materials has made its performance crucial for the safe operation of the facility. As such, when life extension is considered for nuclear power plants, it is critical to have accurate and reliable predictive tools to address concerns related to various aging processes of concrete structures and the capacity of structures subjected to age-related degradation. The goal of this report is to document the progress of the development and implementation of a fully coupled thermo-hydro-mechanical-chemical model in GRIZZLY code with the ultimate goal to reliably simulate and predict long-term performance and response of aged NPP concrete structures subjected to a number of aging mechanisms including external chemical attacks and volume-changing chemical reactions within concrete structures induced by alkali-silica reactions and long-term exposure to irradiation. Based on a number of survey reports of concrete aging mechanisms relevant to nuclear power plants and recommendations from researchers in concrete community, we’ve implemented three modules during FY15 in GRIZZLY code, (1) multi-species reactive diffusion model within cement materials; (2) coupled moisture and heat transfer model in concrete; and (3) anisotropic, stress-dependent, alkali-silica reaction induced swelling model. The multi-species reactive diffusion model was implemented with the objective to model aging of concrete structures subjected to aggressive external chemical attacks (e.g., chloride attack, sulfate attack, etc.). It considers multiple processes relevant to external chemical attacks such as diffusion of ions in aqueous phase within pore spaces, equilibrium chemical speciation reactions and kinetic mineral dissolution/precipitation. The moisture/heat transfer module was implemented to simulate long-term spatial and temporal evolutions of the moisture and temperature fields within concrete structures at both room and elevated temperatures. The ASR swelling model implemented in GRIZZLY code can simulate anisotropic expansions of ASR gel under either uniaxial, biaxial and triaxial stress states, and can be run simultaneously with the moisture/heat transfer model and coupled with various elastic/inelastic solid mechanics models that were implemented in GRIZZLY code previously. This report provides detailed descriptions of the governing equations, constitutive equations and numerical algorithms of the three modules implemented in GRIZZLY during FY15, simulation results of example problems and model validation results by comparing simulations with available experimental data reported in the literature. The close match between the experiments and simulations clearly demonstrate the potential of GRIZZLY code for reliable evaluation and prediction of long-term performance and response of aged concrete structures in nuclear power plants.

  5. A STUDY OF FISCHER 344 RATS EXPOSED TO SILICA DUST AT CONCENTRATIONS OF 0, 2, 10 OR 20 MG/M3, THEN MAINTAINED FOR SIX MONTHS PRIOR TO ASSESSMENT.

    SciTech Connect (OSTI)

    KUTZMAN,R.S.

    1984-11-01

    The major objective of this study was to relate the results of a series of functional tests to the compositional and structural alterations in the rat lung induced by subchronic exposure to silica dust. To induce a fibrotic lesion, Fischer-344 rats were exposed to either 0, 2, 10, or 20 mg Si0{sub 2}/m{sup 3} for 6 hours/day, 5 days/week for six months and then maintained in an animal room, equipped with a laminar flow unit, for six months prior to assessment of the end points.

  6. Fluid diversion and sweep improvement with chemical gels in oil recovery processes. [Four types of gels: resorcinol-formaldehyde; colloidal silica; Cr sup 3+ (chloride)-xanthan; and Cr sup 3+ (acetate)-polyacrylamide

    SciTech Connect (OSTI)

    Seright, R.S.; Martin, F.D.

    1992-09-01

    The objectives of this project were to identify the mechanisms by which gel treatments divert fluids in reservoirs and to establish where and how gel treatments are best applied. Several different types of gelants were examined, including polymer-based gelants, a monomer-based gelant, and a colloidal-silica gelant. This research was directed at gel applications in water injection wells, in production wells, and in high-pressure gas floods. The work examined how the flow properties of gels and gelling agents are influenced by permeability, lithology, and wettability. Other goals included determining the proper placement of gelants, the stability of in-place gels, and the types of gels required for the various oil recovery processes and for different scales of reservoir heterogeneity. During this three-year project, a number of theoretical analyses were performed to determine where gel treatments are expected to work best and where they are not expected to be effective. The most important, predictions from these analyses are presented. Undoubtedly, some of these predictions will be controversial. However, they do provide a starting point in establishing guidelines for the selection of field candidates for gel treatments. A logical next step is to seek field data that either confirm or contradict these predictions. The experimental work focused on four types of gels: (1) resorcinol-formaldehyde, (2) colloidal silica, (3) Cr{sup 3+}(chloride)-xanthan, and (4) Cr{sup 3+}(acetate)-polyacrylamide. All experiments were performed at 41{degrees}C.

  7. Phosphine-stabilised Au{sub 9} clusters interacting with titania and silica surfaces: The first evidence for the density of states signature of the support-immobilised cluster

    SciTech Connect (OSTI)

    Andersson, Gunther G. E-mail: vladimir.golovko@canterbury.ac.nz Al Qahtani, Hassan S.; Golovko, Vladimir B. E-mail: vladimir.golovko@canterbury.ac.nz; Alvino, Jason F.; Bennett, Trystan; Wrede, Oliver; Mejia, Sol M.; Metha, Gregory F. E-mail: vladimir.golovko@canterbury.ac.nz; Adnan, Rohul; Gunby, Nathaniel; Anderson, David P.

    2014-07-07

    Chemically made, atomically precise phosphine-stabilized clusters Au{sub 9}(PPh{sub 3}){sub 8}(NO{sub 3}){sub 3} were deposited on titania and silica from solutions at various concentrations and the samples heated under vacuum to remove the ligands. Metastable induced electron spectroscopy was used to determine the density of states at the surface, and X-ray photoelectron spectroscopy for analysing the composition of the surface. It was found for the Au{sub 9} cluster deposited on titania that the ligands react with the titania substrate. Based on analysis using the singular value decomposition algorithm, the series of MIE spectra can be described as a linear combination of 3 base spectra that are assigned to the spectra of the substrate, the phosphine ligands on the substrate, and the Au clusters anchored to titania after removal of the ligands. On silica, the Au clusters show significant agglomeration after heat treatment and no interaction of the ligands with the substrate can be identified.

  8. Squeezing silica reveals meteorite secrets

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Spruce Up Your Home for Spring and Summer Spruce Up Your Home for Spring and Summer May 6, 2015 - 3:29pm Addthis Designing a landscape around your climate is key to maximizing energy-savings. | Photo courtesy of iStockphoto.com/RiverNorthPhotography Designing a landscape around your climate is key to maximizing energy-savings. | Photo courtesy of iStockphoto.com/RiverNorthPhotography Paige Terlip Paige Terlip Former Communicator, National Renewable Energy Laboratory What does this mean for me?

  9. New Design Methods and Algorithms for Energy Efficient Multicomponent...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Ranklist the entire configuration set based on energy used and other metrics Develop software for ease of use by practitioners Continue to identify methods to ...

  10. Multicomponent homogeneous alloys and method for making same

    DOE Patents [OSTI]

    Dutta, Partha S.; Miller, Thomas R.

    2003-09-02

    The present application discloses a method for preparing a homogeneous ternary or quaternary alloy from a quaternary melt. The method includes providing a family of phase diagrams for the quaternary melt which shows (i) composition/temperature data, (ii) tie lines connecting equilibrium liquid and solid compositions, and (iii) isotherms representing boundaries of a miscibility gap. Based on the family of phase diagrams, a quaternary melt composition and an alloy growth temperature is selected. A quaternary melt having the selected quaternary melt composition is provided and a ternary or quaternary alloy is grown from the quaternary melt at the selected alloy growth temperature. A method for making homogeneous ternary or quaternary alloy from a ternary or quaternary melt is also disclosed, as are homogeneous quaternary single-crystal alloys which are substantially free from crystal defects and which have the formula A.sub.x B.sub.1-x C.sub.y D.sub.1-y, x and y being the same or different and in the range of 0.001 to 0.999.

  11. Multicomponent, multiphase flow in porous media with temperature variation

    SciTech Connect (OSTI)

    Wingard, J.S.; Orr, F.M. Jr.

    1990-10-01

    Recovery of hydrocarbons from porous media is an ongoing concern. Advanced techniques augment conventional recovery methods by injecting fluids that favorably interact with the oil. These fluids interact with the oil by energy transfer, in the case of steam injection, or by mass transfer, as in a miscible gas flood. Often both thermal and compositional considerations are important. An understanding of these injection methods requires knowledge of how temperature variations, phase equilibrium and multiphase flow in porous media interact. The material balance for each component and energy balance are cast as a system of non-strictly hyperbolic partial differential equations. This system of equations is solved using the method of characteristics. The model takes into account the phase behavior by using the Peng-Robinson equation of state to partition the individual components into different phases. Temperature effects are accounted for by the energy balance. Flow effects are modelled by using fractional flow curves and a Stone's three phase relative permeability model. Three problems are discussed. The first problem eliminates the phase behavior aspect of the problem by studying the flow of a single component as it undergoes an isothermal phase change. The second couples the effects of temperature and flow behavior by including a second component that is immiscible with the original component. Phase behavior is added by using a set of three partially miscible components that partition into two or three separate phases. 66 refs., 54 figs., 14 tabs.

  12. Towards breaking temperature equilibrium in multi-component Eulerian schemes

    SciTech Connect (OSTI)

    Grove, John W; Masser, Thomas

    2009-01-01

    We investigate the effects ofthermal equilibrium on hydrodynamic flows and describe models for breaking the assumption ofa single temperature for a mixture of components in a cell. A computational study comparing pressure-temperature equilibrium simulations of two dimensional implosions with explicit front tracking is described as well as implementation and J-D calculations for non-equilibrium temperature methods.

  13. Growth of multi-component alloy films with controlled graded...

    Office of Scientific and Technical Information (OSTI)

    Corporation (Santa Clara, CA) OSTI Patent Number(s): 6,867,149 Application Number: 10256,324 Contract Number: W-7405-ENG-48 Research Org: EUV Limited Liability Corporation, Santa ...

  14. Multicomponent wavefield characterization with a novel scanning laser interferometer

    SciTech Connect (OSTI)

    Blum, Thomas E.; Wijk, Kasper van; Pouet, Bruno; Wartelle, Alexis

    2010-07-15

    The in-plane component of the wavefield provides valuable information about media properties from seismology to nondestructive testing. A new compact scanning laser ultrasonic interferometer collects light scattered away from the angle of incidence to provide the absolute ultrasonic displacement for both the out-of-plane and an in-plane components. This new system is tested by measuring the radial and vertical polarization of a Rayleigh wave in an aluminum half-space. The estimated amplitude ratio of the horizontal and vertical displacement agrees well with the theoretical value. The phase difference exhibits a small bias between the two components due to a slightly different frequency response between the two processing channels of the prototype electronic circuitry.

  15. Bonding and structure in dense multi-component molecular mixtures

    SciTech Connect (OSTI)

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D.; Collins, Lee A.

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ? T ? 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systems engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.

  16. Transport and phase equilibria in multicomponent fluids: Final report

    SciTech Connect (OSTI)

    Kincaid, J.M.

    1986-07-01

    This report highlights the results of fluid flow research projects supported by the Office of Basic Energy Sciences during the three year contract period 1 February 1984 through 31 January 1987.

  17. New Design Methods and Algorithms for Multi-component Distillation...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    of typical chemical and petrochemical plants. Ultimately, by utilizing these methods and tools a process engineer will ... available to the chemicals and petrochemicals industries. ...

  18. Dynamical friction in multi-component evolving globular clusters

    SciTech Connect (OSTI)

    Alessandrini, Emiliano; Lanzoni, Barbara; Miocchi, Paolo; Ciotti, Luca; Ferraro, Francesco R.

    2014-11-10

    We use the Chandrasekhar formalism and direct N-body simulations to study the effect of dynamical friction on a test object only slightly more massive than the field stars, orbiting a spherically symmetric background of particles with a mass spectrum. The main goal is to verify whether the dynamical friction time (t {sub DF}) develops a non-monotonic radial dependence that could explain the bimodality of the blue straggler radial distributions observed in globular clusters. In these systems, in fact, relaxation effects lead to a mass and velocity radial segregation of the different mass components, so that mass-spectrum effects on t {sub DF} are expected to be dependent on radius. We find that in spite of the presence of different masses, t {sub DF} is always a monotonic function of radius, at all evolutionary times and independently of the initial concentration of the simulated cluster. This is because the radial dependence of t {sub DF} is largely dominated by the total mass density profile of the background stars (which is monotonically decreasing with radius). Hence, a progressive temporal erosion of the blue straggler star (BSS) population at larger and larger distances from the cluster center remains the simplest and the most likely explanation of the shape of the observed BSS radial distributions, as suggested in previous works. We also confirm the theoretical expectation that approximating a multi-mass globular cluster as made of (averaged) equal-mass stars can lead to significant overestimations of t {sub DF} within the half-mass radius.

  19. Geothermal Reservoir Temperatures in Southeastern Idaho using Multicomponent Geothermometry

    SciTech Connect (OSTI)

    Neupane, Ghanashyam; Mattson, Earl D.; McLing, Travis L.; Palmer, Carl D.; Smith, Robert W.; Wood, Thomas R.; Podgorney, Robert K.

    2015-03-01

    Southeastern Idaho exhibits numerous warm springs, warm water from shallow wells, and hot water within oil and gas test wells that indicate a potential for geothermal development in the area. Although the area exhibits several thermal expressions, the measured geothermal gradients vary substantially (19 – 61 ºC/km) within this area, potentially suggesting a redistribution of heat in the overlying ground water from deeper geothermal reservoirs. We have estimated reservoir temperatures from measured water compositions using an inverse modeling technique (Reservoir Temperature Estimator, RTEst) that calculates the temperature at which multiple minerals are simultaneously at equilibrium while explicitly accounting for the possible loss of volatile constituents (e.g., CO2), boiling and/or water mixing. Compositions of a selected group of thermal waters representing southeastern Idaho hot/warm springs and wells were used for the development of temperature estimates. The temperature estimates in the the region varied from moderately warm (59 ºC) to over 175 ºC. Specifically, hot springs near Preston, Idaho resulted in the highest temperature estimates in the region.

  20. Multi-component removal in flue gas by aqua ammonia

    DOE Patents [OSTI]

    Yeh, James T.; Pennline, Henry W.

    2007-08-14

    A new method for the removal of environmental compounds from gaseous streams, in particular, flue gas streams. The new method involves first oxidizing some or all of the acid anhydrides contained in the gas stream such as sulfur dioxide (SO.sub.2) and nitric oxide (NO) and nitrous oxide (N.sub.2O) to sulfur trioxide (SO.sub.3) and nitrogen dioxide (NO.sub.2). The gas stream is subsequently treated with aqua ammonia or ammonium hydroxide which captures the compounds via chemical absorption through acid-base or neutralization reactions. The products of the reactions can be collected as slurries, dewatered, and dried for use as fertilizers, or once the slurries have been dewatered, used directly as fertilizers. The ammonium hydroxide can be regenerated and recycled for use via thermal decomposition of ammonium bicarbonate, one of the products formed. There are alternative embodiments which entail stoichiometric scrubbing of nitrogen oxides and sulfur oxides with subsequent separate scrubbing of carbon dioxide.

  1. Bonding and structure in dense multi-component molecular mixtures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D.; Collins, Lee A.

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systemsmore » engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.« less

  2. Mixed-Matric Membranes for CO2 and H2 Gas Separations Using Metal-Organic Framework and Mesoporus Hybrid Silicas

    SciTech Connect (OSTI)

    Inga Musselman; Kenneth Balkus, Jr.; John Ferraris

    2009-01-07

    In this work, we have investigated the separation performance of polymer-based mixed-matrix membranes containing metal-organic frameworks and mesoporous hybrid silicas. The MOF/Matrimid{reg_sign} and MOP-18/Matrimid{reg_sign} membranes exhibited improved dispersion and mechanical strength that allowed high additive loadings with reduced aggregation, as is the case of the 80 wt% MOP-18/Matrimid{reg_sign} and the 80% (w/w) Cu-MOF/Matrimid{reg_sign} membranes. Membranes with up to 60% (w/w) ZIF-8 content exhibited similar mechanical strength and improved dispersion. The H{sub 2}/CO{sub 2} separation properties of MOF/Matrimid{reg_sign} mixed-matrix membranes was improved by either keeping the selectivity constant and increasing the permeability (MOF-5, Cu-MOF) or by improving both selectivity and permeability (ZIF-8). In the case of MOF-5/Matrimid{reg_sign} mixed-matrix membranes, the H{sub 2}/CO{sub 2} selectivity was kept at 2.6 and the H{sub 2} permeability increased from 24.4 to 53.8 Barrers. For the Cu-MOF/Matrimid{reg_sign} mixed-matrix membranes, the H{sub 2}/CO{sub 2} selectivity was kept at 2.05 and the H{sub 2} permeability increased from 17.1 to 158 Barrers. These two materials introduced porosity and uniform paths that enhanced the gas transport in the membranes. When ZIF-8/Matrimid{reg_sign} mixed-matrix membranes were studied, the H{sub 2}/CO{sub 2} selectivity increased from 2.9 to 4.4 and the permeability of H{sub 2} increased from 26.5 to 35.8 Barrers. The increased H{sub 2}/CO{sub 2} selectivity in ZIF-8/Matrimid{reg_sign} membranes was explained by the sieving effect introduced by the ZIF-8 crystals (pore window 0.34 nm) that restricted the transport of molecules larger than H{sub 2}. Materials with microporous and/or mesoporous cavities like carbon aerogel composites with zeolite A and zeolite Y, and membranes containing mesoporous ZSM-5 showed sieving effects for small molecules (e.g. H{sub 2} and CO{sub 2}), however, the membranes were most selective for CO{sub 2} due to the strong interaction of the zeolites with CO{sub 2}. For example, at 30 wt% ZSM-5 loading, the CO{sub 2}/CH{sub 4} selectivity increased from 34.7 (Matrimid{reg_sign}) to 56.4. The large increase in selectivity was the result of the increase in CO{sub 2} permeability from 7.3 (Matrimid{reg_sign}) to 14.6 Barrers. At 30 wt% ZSM-5 loading, the H{sub 2}/CH{sub 4} separation was also improved from 83.3 (Matrimid{reg_sign}) to 136.7 with an increase in H{sub 2} permeability from 17.5 (Matrimid{reg_sign}) to 35.3 Barrers. The 10% carbon aerogel-zeolite A and -zeolite Y composite/Matrimid{reg_sign} membranes exhibited an increase in the CO{sub 2}/CH{sub 4} separation from 34.7 to 71.5 (zeolite A composite) and to 57.4 (zeolite Y composite); in addition, the membrane exhibited an increase in the CO{sub 2}/N{sub 2} separation from 33.1 to 50 (zeolite A composite) and to 49.4 (zeolite Y composite), indicating that these type of materials have affinity for CO{sub 2}. The inclusion of mesoporosity enhanced the dispersion of the additive allowing loadings of up to 30% (w/w) without the formation of non-selective voids.

  3. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    (2) electrons (2) elements (2) geothermal energy (2) geothermometers (2) ... are useful for estimating geothermal reservoir temperatures, though a ...

  4. Parametric study of a silica gel-water adsorption refrigeration cycle -- The influence of thermal capacitance and heat exchanger UA-values on cooling capacity, power density, and COP

    SciTech Connect (OSTI)

    Boelman, E.C.; Saha, B.B.; Kashiwagi, Takao

    1997-12-31

    The influence of heat exchanger UA-values (adsorber/desorber, evaporator, and condenser) is investigated for an adsorption chiller, with consideration given to the thermal capacitance of the adsorber/desorber by means of a lumped-parameter cycle simulation model developed by the authors and co-workers for the single-stage silica gel-water adsorption chiller. The closed-cycle-type chiller, for use in air conditioning, is driven by low-grade waste heat (85 C [185 F]) and cooled by water at 31 C (88 F) and operates on relatively short cycle times (420 seconds adsorption/desorption; 30 second adsorber/desorber sensible cooling and heating). The results showed cycle performance to be considerably affected by the thermal capacitance and UA-value of the adsorber/desorber, which is attributed to the severe sensible cooling/heating requirements resulting from batched cycle operation. The model is also sensitive to the evaporator UA-value--but to a lesser extent. The condenser UA-value is the least sensitive parameter due to the working pair adsorption behavior in the temperature range defined for desorption and condensation.

  5. Mechanisms of optical losses in the {sup 5}D{sub 4} and {sup 5}D{sub 3} levels in Tb{sup 3+} doped low silica calcium aluminosilicate glasses

    SciTech Connect (OSTI)

    Santos, J. F. M. dos; Terra, I. A. A.; Nunes, L. A. O.; Catunda, T.; Astrath, N. G. C.; Guimares, F. B.; Baesso, M. L.

    2015-02-07

    Trivalent Tb-doped materials exhibit strong emission in the green and weak emission in the UV-blue levels. Usually, this behavior is attributed to the cross relaxation (CR) process. In this paper, the luminescence properties of Tb{sup 3+}-doped low silica calcium aluminosilicate glasses are analyzed for UV (?{sub exc}?=?325?nm) and visible (488?nm) excitations. Under 325?nm excitation, the intensity of green luminescence increases proportionally to Tb{sup 3+} concentration. However, the blue luminescence intensity is strongly reduced with the increase of concentration from 0.515.0?wt. %. In the case of 488?nm excitation, a saturation behavior of the green emission is observed at intensities two orders of magnitude smaller than expected for bleaching of the ground state population. Using a rate equation model, we showed that this behavior can be explained by an excited state absorption cross section two orders of magnitude larger than the ground state absorption. The blue emission is much weaker than expected from our rate equations (325?nm and 488?nm excitation). We concluded that only the CR process cannot explain the overall feature of measured luminescence quenching in the wide range of Tb{sup 3+} concentrations. Cooperative upconversion from a pair of excited ions ({sup 5}D{sub 3}:{sup 5}D{sub 3} or {sup 5}D{sub 3}:{sup 5}D{sub 4}) and other mechanisms involving upper lying states (4f5d, charge transfer, host matrix, defects, etc.) may play a significant role.

  6. Manufacturing complex silica aerogel target components

    SciTech Connect (OSTI)

    Defriend Obrey, Kimberly Ann [Los Alamos National Laboratory; Day, Robert D [Los Alamos National Laboratory; Espinoza, Brent F [Los Alamos National Laboratory; Hatch, Doug [Los Alamos National Laboratory; Patterson, Brian M [Los Alamos National Laboratory; Feng, Shihai [Los Alamos National Laboratory

    2008-01-01

    Aerogel is a material used in numerous components in High Energy Density Physics targets. In the past these components were molded into the proper shapes. Artifacts left in the parts from the molding process, such as contour irregularities from shrinkage and density gradients caused by the skin, have caused LANL to pursue machining as a way to make the components.

  7. Mesoporous Silica Nanomaterials for Applications in Catalysis...

    Office of Scientific and Technical Information (OSTI)

    horses have ability to deliver Doxorubicin to cancer cells and induce their death. ... was able to transfect cancer cell lines, such as human HeLa and CHO cancer cell lines. ...

  8. Geothermometry At Coso Geothermal Area (1980) | Open Energy Informatio...

    Open Energy Info (EERE)

    DOE-funding Unknown Exploration Basis Fluid temperature of feed water Notes Cation and sulfate isotope geothermometers indicate that the reservoir feeding water to the Coso Hot...

  9. Geochemistry of the Wendel-Amedee Geothermal System-California...

    Open Energy Info (EERE)

    have been identified based on the concentrations of the conservative elements C1 and B, fluid enthalpies, and the application of chemical geothermometers. One is characterized by...

  10. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    (2) electron precipitation (2) electron temperature (2) electrons (2) elements (2) geothermal energy (2) geothermometers (2) geothermometry (2) magnetic fields (2) measuring ...

  11. Geothermometry At Teels Marsh Area (Coolbaugh, Et Al., 2006)...

    Open Energy Info (EERE)

    useful DOE-funding Unknown Notes Follow up (to ASTER satellite imaging) analysis of spring and well waters yielded geothermometer reservoir estimates up to 192C References...

  12. Geothermometry At Rhodes Marsh Area (Coolbaugh, Et Al., 2006...

    Open Energy Info (EERE)

    useful DOE-funding Unknown Notes Follow up (to ASTER satellite imaging) analysis of spring and well waters yielded geothermometer reservoir estimates up to 162C References...

  13. Property:LithologyInfo | Open Energy Information

    Open Energy Info (EERE)

    Geothermometers N Near Infrared Surveys Numerical Modeling O Oblique Aerial & Ground Visible Band & Thermographic Imaging Observation Wells Over Core Stress P PSInSAR...

  14. Miscible, multi-component, diesel fuels and methods of bio-oil transformation

    DOE Patents [OSTI]

    Adams, Thomas; Garcia, Manuel; Geller, Dan; Goodrum, John W.; Pendergrass, Joshua T.

    2010-10-26

    Briefly described, embodiments of this disclosure include methods of recovering bio-oil products, fuels, diesel fuels, and the like are disclosed.

  15. Thin-layer chromatography and colorimetric analysis of multi-component explosive mixtures

    DOE Patents [OSTI]

    Pagoria, Philip F.; Mitchell, Alexander R.; Whipple, Richard E.; Carman, M. Leslie

    2014-08-26

    A thin-layer chromatography method for detection and identification of common military and peroxide explosives in samples includes the steps of provide a reverse-phase thin-layer chromatography plate; prepare the plate by marking spots on which to deposit the samples by touching the plate with a marker; spot one micro liter of a first standard onto one of the spots, spot one micro liter of a second standard onto another of the spots, and spot samples onto other of spots producing a spotted plate; add eluent to a developing chamber; add the spotted plate to the developing chamber; remove the spotted plate from the developing chamber producing a developed plate; place the developed plate in an ultraviolet light box; add a visualization agent to a dip tank; dip the developed plate in the dip tank and remove the developed plate quickly; and detect explosives by viewing said developed plate.

  16. Multi-component modeling of quasielastic neutron scattering from phospholipid membranes

    SciTech Connect (OSTI)

    Wanderlingh, U. DAngelo, G.; Branca, C.; Trimarchi, A.; Rifici, S.; Finocchiaro, D.; Conti Nibali, V.; Crupi, C.; Ollivier, J.; Middendorf, H. D.

    2014-05-07

    We investigated molecular motions in the 0.3350 ps time range of D{sub 2}O-hydrated bilayers of 1-palmitoyl-oleoyl-sn-glycero-phosphocholine and 1,2-dimyristoyl-sn-glycero-phosphocholine in the liquid phase by quasielastic neutron scattering. Model analysis of sets of spectra covering scale lengths from 4.8 to 30 revealed the presence of three types of motion taking place on well-separated time scales: (i) slow diffusion of the whole phospholipid molecules in a confined cylindrical region; (ii) conformational motion of the phospholipid chains; and (iii) fast uniaxial rotation of the hydrogen atoms around their carbon atoms. Based on theoretical models for the hydrogen dynamics in phospholipids, the spatial extent of these motions was analysed in detail and the results were compared with existing literature data. The complex dynamics of protons was described in terms of elemental dynamical processes involving different parts of the phospholipid chain on whose motions the hydrogen atoms ride.

  17. Protocells and their use for targeted delivery of multicomponent cargos to cancer cells

    DOE Patents [OSTI]

    Brinker, C Jeffrey; Ashley, Carlee Erin; Jiang, Xingmao; Liu, Juewen; Peabody, David S; Wharton, Walker Richard; Carnes, Eric; Chackerian, Bryce; Willman, Cheryl L

    2015-03-31

    Various embodiments provide materials and methods for synthesizing protocells for use in targeted delivery of cargo components to cancer cells. In one embodiment, the lipid bilayer can be fused to the porous particle core to form a protocell. The lipid bilayer can be modified with targeting ligands or other ligands to achieve targeted delivery of cargo components that are loaded within the protocell to a target cell, e.g., a type of cancer. Shielding materials can be conjugated to the surface of the lipid bilayer to reduce undesired non-specific binding.

  18. Magnetism and magnetocaloric effect in multicomponent Laves-phase compounds: Study and comparative analysis

    SciTech Connect (OSTI)

    Ćwik, J.

    2014-01-15

    This paper presents a review and results of comparative study of the influence of Gd on some physical properties of (R{sub 0.9}R′{sub 0.1}){sub 1−x}Gd{sub x}Co{sub 2} solid solutions with R=Dy, Ho and R′=Er, Ho and x varied from 0.05 to 0.15. Powder X-ray diffraction analysis performed at room temperature revealed that all studied solid solutions solidify with the formation of a Laves-phase MgCu{sub 2}-type structure (space group Fd−3m). The magnetization behavior and the magnetic transition are analyzed in terms of the Landau theory. The studies of magnetic properties and heat capacity showed that a relatively small Gd addition significantly increases T{sub C} of the compounds. The maximum percentage increase in T{sub C}, namely, ∼43% was observed for (Ho{sub 0.9}Er{sub 0.1}){sub 1−x}Gd{sub x}Co{sub 2}. However, the highest temperature was noted for the (Dy{sub 0.9}Ho{sub 0.1}){sub 0.85}Gd{sub 0.15}Co{sub 2} solid solution; it is T{sub C}=183.4 K. Below the ordering temperature, all samples are ferrimagnetically ordered; at high temperatures, they are Curie–Weiss paramagnets. Moreover, a small Gd addition eliminates the field-induced magnetic transition near T{sub C} and, as consequence, transforms the nature of magnetic transition from the first- to second-order. The magnetocaloric effect has been estimated in terms of both isothermal magnetic entropy and adiabatic temperature changes. The highest adiabatic temperature change ΔT{sub ad}=3 K and highest isothermal entropy change ΔS{sub mag}=12.1 J/kg K were observed for (Ho{sub 0.9}Er{sub 0.1}){sub 0.95}Gd{sub 0.05}Co{sub 2} at ∼90 K in magnetic fields of 2 T and 3 T, respectively. A decrease in the entropy change has been observed with increasing Gd content in all studied samples. The smallest values of ΔS{sub mag} were observed for the (Dy{sub 0.9}Ho{sub 0.1}){sub 1−x}Gd{sub x}Co{sub 2} solid solutions. Under an external field change of from 0 to 3 T, the maximum entropy change for (Dy{sub 0.9}Ho{sub 0.1}){sub 1−x}Gd{sub x}Co{sub 2} compounds decreases from 6.9 at x=0.05–4.3 J/kg K at x=0.15. The refrigerant capacity for all solid solutions (with 0.05≤x≤0.15) is reported. The effect of increasing Gd content in the solid solutions on their magnetic and magnetocaloric properties is discussed. - Graphical abstract: Temperature dependencies of ΔT{sub ad} induced by µ{sub 0}H=1 and 2 T in (a) (Ho{sub 0.9}Er{sub 0.1}){sub 1−x}Gd{sub x}Co{sub 2} and (b) (Dy{sub 0.9}Er{sub 0.1}){sub 1−x}Gd{sub x}Co{sub 2} solid solutions. Display Omitted.

  19. Multicomponent analysis of mixed rare-earth metal ion solutions by the electronic tongue sensor system

    SciTech Connect (OSTI)

    Legin, A.; Kirsanov, D.; Rudnitskaya, A.; Rovny, S.; Logunov, M.

    2007-07-01

    Novel electrochemical sensors based on well-known extracting agents are developed. Sensors have shown high sensitivity towards a variety of rear earth metal ions in acidic media at pH=2. Multi-sensor system (electronic tongue) comprising newly developed sensors was successfully applied for the analysis of binary and ternary mixtures of Ce{sup 3+}, Nd{sup 3+}, Sm{sup 3+} and Gd{sup 3+} cations in different combinations. (authors)

  20. Viscosity of multi-component molten nitrate salts : liquidus to 200 degrees C.

    SciTech Connect (OSTI)

    Bradshaw, Robert W.

    2010-03-01

    The viscosity of molten salts comprising ternary and quaternary mixtures of the nitrates of sodium, potassium, lithium and calcium was determined experimentally. Viscosity was measured over the temperature range from near the relatively low liquidus temperatures of he individual mixtures to 200C. Molten salt mixtures that do not contain calcium nitrate exhibited relatively low viscosity and an Arrhenius temperature dependence. Molten salt mixtures that contained calcium nitrate were relatively more viscous and viscosity increased as the roportion of calcium nitrate increased. The temperature dependence of viscosity of molten salts containing calcium nitrate displayed curvature, rather than linearity, when plotted in Arrhenius format. Viscosity data for these mixtures were correlated by the Vogel-Fulcher- ammann-Hesse equation.

  1. EXCITATION CONDITIONS IN THE MULTI-COMPONENT SUBMILLIMETER GALAXY SMMJ00266+1708

    SciTech Connect (OSTI)

    Sharon, Chelsea E.; Baker, Andrew J.; Harris, Andrew I.; Tacconi, Linda J.; Lutz, Dieter; Longmore, Steven N.

    2015-01-10

    We present multiline CO observations of the complex submillimeter galaxy SMM J00266+1708. Using the Zpectrometer on the Green Bank Telescope, we provide the first precise spectroscopic measurement of its redshift (z = 2.742). Based on followup CO(1-0), CO(3-2), and CO(5-4) mapping, SMM J00266+1708 appears to have two distinct components separated by ?500 km s{sup 1} that are nearly coincident along our line of sight. The two components show hints of different kinematics, with the blueshifted component dispersion-dominated and the redshifted component showing a clear velocity gradient. CO line ratios differ slightly between the two components, indicating that the physical conditions in their molecular gas may not be alike. We tentatively infer that SMMJ00266+1708 is an ongoing merger with a mass ratio of (7.8 4.0)/sin {sup 2}(i), with its overall size and surface brightness closely resembling that of other merging systems. We perform large velocity gradient modeling of the CO emission from both components and find that each component's properties are consistent with a single phase of molecular gas (i.e., a single temperatures and density); additional multi-phase modeling of the redshifted component, although motivated by a CO(1-0) size larger than the CO(3-2) size, is inconclusive. SMMJ00266+1708 provides evidence of early stage mergers within the submillimeter galaxy population. Continuum observations of J00266 at the ?1'' resolution of our observations could not have distinguished between the two components due to their separation (0.''73 0.''06), illustrating that the additional velocity information provided by spectral line studies is important for addressing the prevalence of unresolved galaxy pairs in low-resolution submillimeter surveys.

  2. Synthesis and structural studies of multi-component strontium zinc silicate glass-ceramics

    SciTech Connect (OSTI)

    Tiwari, Babita; Pandey, M.; Kothiyal, G. P.; Gadkari, S. C.

    2013-02-05

    Glass having composition 40SrO-10ZnO-40SiO{sub 2}-2B{sub 2}O{sub 3}-2Al{sub 2}O{sub 3}-2TiO{sub 2}-2Cr{sub 2}O{sub 3}-2Y{sub 2}O{sub 3}, (mol %) was prepared by melt-quench technique and converted into glass-ceramics by subjecting it to varying heat treatments. Thermal properties were measured by thermo-mechanical analyzer and differential thermal analyzer. The XRD revealed that initially Sr{sub 2}ZnSi{sub 2}O{sub 7} phase at lower temperature and later SrSiO{sub 3}/Sr{sub 3}Si{sub 3}O{sub 9} phase crystallized. The structural elucidation by Raman spectroscopy shows the presence of mainly Q{sup 1} structural units along with Q{sup 2} and Q{sup 0} units in the base glass. Raman spectra revealed that during crystallization initially crystalline phase having Q{sup 1} structural units (corresponding to Sr{sub 2}ZnSi{sub 2}O{sub 7} phase) are formed and later crystalline phase having Q{sup 2} structural units with 3 member ring type structure crystallizes. Thus, Raman spectroscopy and XRD together confirm that in early stage of crystallization, Sr{sub 2}ZnSi{sub 2}O{sub 7} phase and later Sr{sub 3}Si{sub 3}O{sub 9} phase formed in the glass-ceramics.

  3. Ion Partitioning at the liquid/vapor interface of a multi-component...

    Office of Scientific and Technical Information (OSTI)

    as a public service. Visit OSTI to utilize additional information resources in energy science and technology. A paper copy of this document is also available for sale to the...

  4. Ion Partitioning at the liquid/vapor interface of a multi-component...

    Office of Scientific and Technical Information (OSTI)

    solution with particular relevance to sea salt chemistry. Authors: Ghosal, Sutapa ; Brown, Matthew A. ; Bluhm, Hendrik ; Krisch, Maria J. ; Salmeron, Miquel ; Jungwirth, Pavel...

  5. Multi-component Nanoparticle Based Lubricant Additive to Improve Efficiency and Durability in Engines

    Broader source: Energy.gov [DOE]

    Development of active nanoparticle additive for lubricatns that will minimize sulfur and phosporous content in engine oil, and lower ash forming elements

  6. Device For Determining Therophysical Properties Of A Multi-Component Gas At Arbitrary Temperature And Pressure

    DOE Patents [OSTI]

    Morrow, Thomas B.; Behring, II, Kendricks A.

    2005-02-01

    A computer product for determining thermodynamic properties of a natural gas hydrocarbon, when the speed of sound in the gas is known at an arbitrary temperature and pressure. Thus, the known parameters are the sound speed, temperature, pressure, and concentrations of any dilute components of the gas. The method uses a set of reference gases and their calculated density and speed of sound values to estimate the density of the subject gas. Additional calculations can be made to estimate the molecular weight of the subject gas, which can then be used as the basis for mass flow calculations, to determine the speed of sound at standard pressure and temperature, and to determine various thermophysical characteristics of the gas.

  7. System and method to determine thermophysical properties of a multi-component gas

    DOE Patents [OSTI]

    Morrow, Thomas B.; Behring, II, Kendricks A.

    2003-08-05

    A system and method to characterize natural gas hydrocarbons using a single inferential property, such as standard sound speed, when the concentrations of the diluent gases (e.g., carbon dioxide and nitrogen) are known. The system to determine a thermophysical property of a gas having a first plurality of components comprises a sound velocity measurement device, a concentration measurement device, and a processor to determine a thermophysical property as a function of a correlation between the thermophysical property, the speed of sound, and the concentration measurements, wherein the number of concentration measurements is less than the number of components in the gas. The method includes the steps of determining the speed of sound in the gas, determining a plurality of gas component concentrations in the gas, and determining the thermophysical property as a function of a correlation between the thermophysical property, the speed of sound, and the plurality of concentrations.

  8. Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; Jiang, Chao; Stanek, Christopher R.

    2015-11-24

    Complex doping schemes in R3Al5O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-bandmore » maximum (VBM). We consider two sets of compositions based on Lu3B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5O12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less

  9. Sorption of metal ions from multicomponent aqueous solutions by activated carbons produced from waste

    SciTech Connect (OSTI)

    Tikhonova, L.P.; Goba, V.E.; Kovtun, M.F.; Tarasenko, Y.A.; Khavryuchenko, V.D.; Lyubchik, S.B.; Boiko, A.N.

    2008-08-15

    Activated carbons produced by thermal treatment of a mixture of sunflower husks, low-grade coal, and refinery waste were studied as adsorbents of transition ion metals from aqueous solutions of various compositions. The optimal conditions and the mechanism of sorption, as well as the structure of the sorbents, were studied.

  10. Indirect measurement of diluents in a multi-component natural gas

    DOE Patents [OSTI]

    Morrow, Thomas B.; Owen, Thomas E.

    2006-03-07

    A method of indirectly measuring the diluent (nitrogen and carbon dioxide) concentrations in a natural gas mixture. The molecular weight of the gas is modeled as a function of the speed of sound in the gas, the diluent concentrations in the gas, and constant values, resulting in a model equation. A set of reference gas mixtures with known molecular weights and diluent concentrations is used to calculate the constant values. For the gas in question, if the speed of sound in the gas is measured at three states, the three resulting expressions of molecular weight can be solved for the nitrogen and carbon dioxide concentrations in the gas mixture.

  11. GRB 081029: A GAMMA-RAY BURST WITH A MULTI-COMPONENT AFTERGLOW

    SciTech Connect (OSTI)

    Holland, Stephen T.; Sakamoto, Takanori; De Pasquale, Massimiliano; Schady, Patricia; Mao, Jirong; Covino, Stefano; Jin, Zhi-Ping; D'Avanzo, Paolo; Chincarini, Guido; Fan, Yi-Zhong; Antonelli, Angelo; D'Elia, Valerio; Fiore, Fabrizio; Pandey, Shashi Bhushan; Cobb, Bethany E.

    2012-01-20

    We present an analysis of the unusual optical light curve of the gamma-ray burst GRB 081029, a long-soft burst with a redshift of z = 3.8479. We combine X-ray and optical observations from the Swift X-Ray Telescope and the Swift UltraViolet/Optical Telescope with ground-based optical and infrared data obtained using the REM, ROTSE, and CTIO 1.3 m telescopes to construct a detailed data set extending from 86 s to {approx}100000 s after the BAT trigger. Our data cover a wide energy range from 10 keV to 0.77 eV (1.24 A-16000 A). The X-ray afterglow shows a shallow initial decay followed by a rapid decay starting at about 18000 s. The optical and infrared afterglow, however, shows an uncharacteristic rise at about 3000 s that does not correspond to any feature in the X-ray light curve. Our data are not consistent with synchrotron radiation from a jet interacting with an external medium, a two-component jet, or continuous energy injection from the central engine. We find that the optical light curves can be broadly explained by a collision between two ejecta shells within a two-component jet. A growing number of gamma-ray-burst afterglows are consistent with complex jets, which suggests that some (or all) gamma-ray-burst jets are complex and will require detailed modeling to fully understand them.

  12. Final report : multicomponent forensic signature development : interactions with common textiles; mustard precursors and simulants.

    SciTech Connect (OSTI)

    Van Benthem, Mark Hilary; Mowry, Curtis Dale; Kotula, Paul Gabriel; Borek, Theodore Thaddeus, III

    2010-02-01

    2-Chloroethyl phenyl sulfide (CEPS), a surrogate compound of the chemical warfare agent sulfur mustard, was examined using thermal desorption coupled gas chromatography-mass spectrometry (TD/GC-MS) and multivariate analysis. This work describes a novel method of producing multiway data using a stepped thermal desorption. Various multivariate analysis schemes were employed to analyze the data. These methods may be able to discern different sources of CEPS. In addition, CEPS was applied to cotton, nylon, polyester, and silk swatches. These swatches were placed in controlled humidity chambers maintained at 23%, 56%, and 85% relative humidity. At regular intervals, samples were removed from each test swatch, and the samples analyzed using TD/GC-MS. The results were compared across fabric substrate and humidity.

  13. Thermoelectric-enhanced, liquid-based cooling of a multi-component electronic system

    SciTech Connect (OSTI)

    Chainer, Timothy J; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Schmidt, Roger R; Steinke, Mark E

    2015-05-12

    Apparatus and method are provided for facilitating cooling of an electronic component. The apparatus includes a liquid-cooled structure, a thermal conduction path coupling the electronic component and the liquid-cooled structure, a coolant loop in fluid communication with a coolant-carrying channel of the liquid-cooled structure, and an outdoor-air-cooled heat exchange unit coupled to facilitate heat transfer from the liquid-cooled structure via, at least in part, the coolant loop. The thermoelectric array facilitates transfer of heat from the electronic component to the liquid-cooled structure, and the heat exchange unit cools coolant passing through the coolant loop by dissipating heat from the coolant to outdoor ambient air. In one implementation, temperature of coolant entering the liquid-cooled structure is greater than temperature of the outdoor ambient air to which heat is dissipated.

  14. Thermoelectric-enhanced, liquid-based cooling of a multi-component electronic system

    SciTech Connect (OSTI)

    Chainer, Timothy J; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Schmidt, Roger R; Steinke, Mark E

    2015-11-10

    Methods are provided for facilitating cooling of an electronic component. The methods include providing: a liquid-cooled structure, a thermal conduction path coupling the electronic component and the liquid-cooled structure, a coolant loop in fluid communication with a coolant-carrying channel of the liquid-cooled structure, and an outdoor-air-cooled heat exchange unit coupled to facilitate heat transfer from the liquid-cooled structure via, at least in part, the coolant loop. The thermoelectric array facilitates transfer of heat from the electronic component to the liquid-cooled structure, and the heat exchange unit cools coolant passing through the coolant loop by dissipating heat from the coolant to outdoor ambient air. In one implementation, temperature of coolant entering the liquid-cooled structure is greater than temperature of the outdoor ambient air to which heat is dissipated.

  15. Plugging micro-leaks in multi-component, ceramic tubesheets with material leached therefrom

    DOE Patents [OSTI]

    Bieler, B.H.; Tsang, F.Y.

    1985-03-19

    Cracks, in ceramic wall members, on the order of 1 micron or less in width are plugged helium-tight by selectively leaching a component of the wall member with a solvent, letting the resultant leach form a liquid bridge within the crack, removing the solvent and sintering the resultant residue. This method is of particular value for remedying microcracks or channels in a cell member constituting a tubesheet in a hollow fiber type, high temperature battery cell, such as a sodium/sulfur cell, for example. 1 fig.

  16. Plugging micro-leaks in multi-component, ceramic tubesheets with material leached therefrom

    DOE Patents [OSTI]

    Bieler, Barrie H.; Tsang, Floris Y.

    1985-03-19

    Cracks, in ceramic wall members, on the order of 1 micron or less in width are plugged helium-tight by selectively leaching a component of the wall member with a solvent, letting the resultant leach form a liquid bridge within the crack, removing the solvent and sintering the resultant residue. This method is of particular value for remedying microcracks or channels in a cell member constituting a tubesheet in a hollow fiber type, high temperature battery cell, such as a sodium/sulfur cell, for example.

  17. Evaluation of low-temperature geothermal potential in Cache Valley, Utah. Report of investigation No. 174

    SciTech Connect (OSTI)

    de Vries, J.L.

    1982-11-01

    Field work consisted of locating 90 wells and springs throughout the study area, collecting water samples for later laboratory analyses, and field measurement of pH, temperature, bicarbonate alkalinity, and electrical conductivity. Na/sup +/, K/sup +/, Ca/sup +2/, Mg/sup +2/, SiO/sub 2/, Fe, SO/sub 4//sup -2/, Cl/sup -/, F/sup -/, and total dissolved solids were determined in the laboratory. Temperature profiles were measured in 12 additional, unused walls. Thermal gradients calculated from the profiles were approximately the same as the average for the Basin and Range province, about 35/sup 0/C/km. One well produced a gradient of 297/sup 0/C/km, most probably as a result of a near-surface occurrence of warm water. Possible warm water reservoir temperatures were calculated using both the silica and the Na-K-Ca geothermometers, with the results averaging about 50 to 100/sup 0/C. If mixing calculations were applied, taking into account the temperatures and silica contents of both warm springs or wells and the cold groundwater, reservoir temperatures up to about 200/sup 0/C were indicated. Considering measured surface water temperatures, calculated reservoir temperatures, thermal gradients, and the local geology, most of the Cache Valley, Utah area is unsuited for geothermal development. However, the areas of North Logan, Benson, and Trenton were found to have anomalously warm groundwater in comparison to the background temperature of 13.0/sup 0/C for the study area. The warm water has potential for isolated energy development but is not warm enough for major commercial development.

  18. Method of synthesizing silica nanofibers using sound waves (Patent...

    Office of Scientific and Technical Information (OSTI)

    The method can be performed without heating or electrospinning, and instead includes less energy intensive strategies that can be scaled up to an industrial scale. The resulting ...

  19. Luminescent single-walled carbon nanotube/silica composite materials...

    Office of Scientific and Technical Information (OSTI)

    APA Chicago Bibtex Export Metadata Endnote Excel CSV XML Save to My Library Send to Email Send to Email Email address: Content: Close Send Cite: MLA Format Close Cite: APA ...

  20. Methods for globally treating silica optics to reduce optical damage

    DOE Patents [OSTI]

    Miller, Philip Edward; Suratwala, Tayyab Ishaq; Bude, Jeffrey Devin; Shen, Nan; Steele, William Augustus; Laurence, Ted Alfred; Feit, Michael Dennis; Wong, Lana Louie

    2012-11-20

    A method for preventing damage caused by high intensity light sources to optical components includes annealing the optical component for a predetermined period. Another method includes etching the optical component in an etchant including fluoride and bi-fluoride ions. The method also includes ultrasonically agitating the etching solution during the process followed by rinsing of the optical component in a rinse bath.

  1. Fluorescent single walled nanotube/silica composite materials

    DOE Patents [OSTI]

    Dattelbaum, Andrew M.; Gupta, Gautam; Duque, Juan G.; Doorn, Stephen K.; Hamilton, Christopher E.; DeFriend Obrey, Kimberly A.

    2013-03-12

    Fluorescent composites of surfactant-wrapped single-walled carbon nanotubes (SWNTs) were prepared by exposing suspensions of surfactant-wrapped carbon nanotubes to tetramethylorthosilicate (TMOS) vapor. Sodium deoxycholate (DOC) and sodium dodecylsulphate (SDS) were the surfactants. No loss in emission intensity was observed when the suspension of DOC-wrapped SWNTs were exposed to the TMOS vapors, but about a 50% decrease in the emission signal was observed from the SDS-wrapped SWNTs nanotubes. The decrease in emission was minimal by buffering the SDS/SWNT suspension prior to forming the composite. Fluorescent xerogels were prepared by adding glycerol to the SWNT suspensions prior to TMOS vapor exposure, followed by drying the gels. Fluorescent aerogels were prepared by replacing water in the gels with methanol and then exposing them to supercritical fluid drying conditions. The aerogels can be used for gas sensing.

  2. Fluorescent single walled nanotube/silica composite materials...

    Office of Scientific and Technical Information (OSTI)

    Authors: Dattelbaum, Andrew M. ; Gupta, Gautam ; Duque, Juan G. ; Doorn, Stephen K. ; Hamilton, Christopher E. ; DeFriend Obrey, Kimberly A. Publication Date: 2013-03-12 OSTI ...

  3. Effect of silica nanoparticles on morphology of segmented polyurethane...

    Office of Scientific and Technical Information (OSTI)

    Atomic force microscopy revealed a strong effect of nanoparticles on the large-scale ... Subject: 36 MATERIALS SCIENCE; ATOMIC FORCE MICROSCOPY; FILLERS; GLASS; MELTING; MELTING ...

  4. NEAR-IR TWO PHOTON MICROSCOPY IMAGING OF SILICA NANOPARTICLES...

    Office of Scientific and Technical Information (OSTI)

    with the preparation and characterization of similar molecular analogues by analytical techniques (IR, solution NMR, UV Vis, X ray crystallography) as well as DFT calculations. ...

  5. Compressed Silica Aerogels for the Study of Superfluid 3He

    SciTech Connect (OSTI)

    Pollanen, J.; Choi, H.; Davis, J. P.; Blinstein, S.; Lippman, T. M.; Halperin, W. P. [Department of Physics and Astronomy, Northwestern University, Evanston, IL 60208 (United States); Lurio, L. B. [Department of Physics, Northern Illinois University, DeKalb, IL 60115 (United States); Mulders, N. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States)

    2006-09-07

    We have performed Small Angle X-ray Scattering (SAXS) on uniaxially strained aerogels and measured the strain-induced structural anisotropy. We use a model to connect our SAXS results to anisotropy of the 3He quasiparticle mean free path in aerogel.

  6. Indium Phosphide Nanocrystals Formed in Silica by Sequential...

    Office of Scientific and Technical Information (OSTI)

    Affiliations Fisk University, Nashville, TN Northeast Normal University, Changchun, China ORNL North Carolina Central University, Durham Alabama A&M University, Normal...

  7. Synthesis of segmented silica rods by growth temperature regulation...

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 1115377 DOE Contract Number: DE-AC05-00OR22725 Resource Type: Journal Article Resource Relation: Journal Name: Angewandte Chemie International Edition; Journal ...

  8. Probing the Silica/Polysiloxane Interface: A Solid State NMR...

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal ... Language: English Subject: 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 38 RADIATION ...

  9. Stable and responsive fluorescent carbon nanotube silica gels...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Conference: Spring 2010 Materials Research Society Meeting ; April 5, 2010 ; San Francisco, CA Research Org: Los Alamos National Laboratory (LANL) Sponsoring...

  10. Characterizing Radiation-Aged Polysiloxane-Silica Composites...

    Office of Scientific and Technical Information (OSTI)

    used effectively in the analysis of such materials and has ... of NMR observables that are based on basic polymer physics. ... decay associated with complex polymer networks. ...

  11. Probing warm dense silica with betatron radiation - Oral Presentation

    SciTech Connect (OSTI)

    Kotick, Jordan

    2015-08-24

    Laser wakefield acceleration (LWFA) has been shown to produce short X-ray pulses from oscillations of electrons within the plasma wake. These betatron X-rays pulses have a broad, synchrotron-like energy spectrum and a duration on the order of the driving laser pulse, thereby enabling probing of ultrafast interactions. Using the 1 J, 40fs short-pulse laser at the Matter in Extreme Conditions experimental station at LCLS, we have implemented LWFA to generate and subsequently characterized betatron X-rays. A scintillator and lanex screen were used to measure the charge fluence and energy spectrum of the produced electron beam.

  12. Characterizing Radiation-Aged Polysiloxane-Silica Composites...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Chemical ... ORGANIC, PHYSICAL AND ANALYTICAL ... CHEMISTRY; AGING; CHAINS; DECAY; MAGNETIZATION; NUCLEAR MAGNETIC RESONANCE; PHYSICS; ...

  13. Stable and responsive fluorescent carbon nanotube silica gels...

    Office of Scientific and Technical Information (OSTI)

    These results demonstrate a new route for the preparation of highly luminescent SWNTsilica composite materials that are potentially useful for future sensing applications. ...

  14. Luminescent single-walled carbon nanotube/silica composite materials...

    Office of Scientific and Technical Information (OSTI)

    Luminescent single-walled carbon nanotubesilica composite materials Citation Details In-Document Search Title: Luminescent single-walled carbon nanotubesilica composite materials ...

  15. Trace Element Geochemical Zoning in the Roosevelt Hot Springs...

    Open Energy Info (EERE)

    this distribution may be a useful solid geothermometer. Authors O.D. Christensen, J.N. Moore and R.M. Capuano Conference GRC Annual Meeting; Salt Lake City, UT; 09091980...

  16. Colorado thermal spring water geothermometry (public dataset...

    Open Energy Info (EERE)

    chemical geothermometers for Colorado thermal springs. Data citations include Barrett, J. K. and Pearl, R. H. (1976), George, R. D., Curtis, H. A., Lester, O. C., Crook, J. K.,...

  17. Chemistry Of Thermal And Nonthermal Springs In The Vicinity Of...

    Open Energy Info (EERE)

    depths. Thermal waters at Drakesbad and in Little Hot Springs Valley have neutral-pH, low-Cl concentrations and have estimated Na-K-Ca and Na-Li geothermometer temperatures...

  18. Advective (heat sweep) geothermal systems | Open Energy Information

    Open Energy Info (EERE)

    temperatures can be predicted from the unchecked application of cation-based Na-K-Ca geo-thermometers. This study shows that in half of the prospects fully equilibrated...

  19. Chemical aging of single and multicomponent biomass burning aerosol surrogate-particles by OH: implications for cloud condensation nucleus activity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Slade, J. H.; Thalman, R.; Wang, J.; Knopf, D. A.

    2015-03-06

    Multiphase OH and O3 oxidation reactions with atmospheric organic aerosol (OA) can influence particle physicochemical properties including composition, morphology, and lifetime. Chemical aging of initially insoluble or low soluble single-component OA by OH and O3 can increase their water-solubility and hygroscopicity, making them more active as cloud condensation nuclei (CCN) and susceptible to wet deposition. However, an outstanding problem is whether the effects of chemical aging on their CCN activity are preserved when mixed with other organic or inorganic compounds exhibiting greater water-solubility. In this work, the CCN activity of laboratory-generated biomass burning aerosol (BBA) surrogate-particles exposed to OH andmore » O3 is evaluated by determining the hygroscopicity parameter, κ, as a function of particle type, mixing state, and OH/O3 exposure applying a CCN counter (CCNc) coupled to an aerosol flow reactor (AFR). Levoglucosan (LEV), 4-methyl-5-nitrocatechol (MNC), and potassium sulfate (KS) serve as representative BBA compounds that exhibit different hygroscopicity, water solubility, chemical functionalities, and reactivity with OH radicals, and thus exemplify the complexity of mixed inorganic/organic aerosol in the atmosphere. The CCN activities of all of the particles were unaffected by O3 exposure. Following exposure to OH, κ of MNC was enhanced by an order of magnitude, from 0.009 to ~0.1, indicating that chemically-aged MNC particles are better CCN and more prone to wet deposition than pure MNC particles. No significant enhancement in κ was observed for pure LEV particles following OH exposure. κ of the internally-mixed particles was not affected by OH oxidation. Furthermore, the CCN activity of OH exposed MNC-coated KS particles is similar to the OH unexposed atomized 1 : 1 by mass MNC : KS binary-component particles. Our results strongly suggest that when OA is dominated by water-soluble organic carbon (WSOC) or inorganic ions, chemical aging has no significant impact on OA hygroscopicity. The organic compounds exhibiting low solubility behave as if they are infinitely soluble when mixed with a sufficient amount of water-soluble compounds. At and beyond this point, the particles' CCN activity is governed entirely by the water-soluble fraction and not influenced by the oxidized organic fraction. Our results have important implications for heterogeneous oxidation and its impact on cloud formation given that atmospheric aerosol is a complex mixture of organic and inorganic compounds exhibiting a wide-range of solubilities.« less

  20. Chemical aging of single and multicomponent biomass burning aerosol surrogate particles by OH: implications for cloud condensation nucleus activity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Slade, J. H.; Thalman, R.; Wang, J.; Knopf, D. A.

    2015-09-14

    Multiphase OH and O3 oxidation reactions with atmospheric organic aerosol (OA) can influence particle physicochemical properties including composition, morphology, and lifetime. Chemical aging of initially insoluble or low-soluble single-component OA by OH and O3 can increase their water solubility and hygroscopicity, making them more active as cloud condensation nuclei (CCN) and susceptible to wet deposition. However, an outstanding problem is whether the effects of chemical aging on their CCN activity are preserved when mixed with other organic or inorganic compounds exhibiting greater water solubility. In this work, the CCN activity of laboratory-generated biomass burning aerosol (BBA) surrogate particles exposed tomore » OH and O3 is evaluated by determining the hygroscopicity parameter, κ, as a function of particle type, mixing state, and OH and O3 exposure applying a CCN counter (CCNc) coupled to an aerosol flow reactor (AFR). Levoglucosan (LEV), 4-methyl-5-nitrocatechol (MNC), and potassium sulfate (KS) serve as representative BBA compounds that exhibit different hygroscopicity, water solubility, chemical functionalities, and reactivity with OH radicals, and thus exemplify the complexity of mixed inorganic/organic aerosol in the atmosphere. The CCN activities of all of the particles were unaffected by O3 exposure. Following exposure to OH, κ of MNC was enhanced by an order of magnitude, from 0.009 to ~ 0.1, indicating that chemically aged MNC particles are better CCN and more prone to wet deposition than pure MNC particles. No significant enhancement in κ was observed for pure LEV particles following OH exposure. κ of the internally mixed particles was not affected by OH oxidation. Furthermore, the CCN activity of OH-exposed MNC-coated KS particles is similar to the OH unexposed atomized 1 : 1 by mass MNC : KS binary-component particles. Our results strongly suggest that when OA is dominated by water-soluble organic carbon (WSOC) or inorganic ions, chemical aging has no significant impact on OA hygroscopicity. The organic compounds exhibiting low solubility behave as if they are infinitely soluble when mixed with a sufficient number of water-soluble compounds. At and beyond this point, the particles' CCN activity is governed entirely by the water-soluble fraction and is not influenced by the oxidized organic fraction. Our results have important implications for heterogeneous oxidation and its impact on cloud formation given that atmospheric aerosol is a complex mixture of organic and inorganic compounds exhibiting a wide range of solubilities.« less

  1. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    SciTech Connect (OSTI)

    Zhang, Shuo [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); DePaolo, Donald J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Zheng, Liange [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Mayer, Bernhard [Univ. of Calgary (Canada). Dept. of Geosciences

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modified to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.

  2. Semiautomatic segmentation and follow-up of multicomponent low-grade tumors in longitudinal brain MRI studies

    SciTech Connect (OSTI)

    Weizman, Lior; Sira, Liat Ben; Joskowicz, Leo; Rubin, Daniel L.; Yeom, Kristen W.; Constantini, Shlomi; Shofty, Ben; Bashat, Dafna Ben

    2014-05-15

    Purpose: Tracking the progression of low grade tumors (LGTs) is a challenging task, due to their slow growth rate and associated complex internal tumor components, such as heterogeneous enhancement, hemorrhage, and cysts. In this paper, the authors show a semiautomatic method to reliably track the volume of LGTs and the evolution of their internal components in longitudinal MRI scans. Methods: The authors' method utilizes a spatiotemporal evolution modeling of the tumor and its internal components. Tumor components gray level parameters are estimated from the follow-up scan itself, obviating temporal normalization of gray levels. The tumor delineation procedure effectively incorporates internal classification of the baseline scan in the time-series as prior data to segment and classify a series of follow-up scans. The authors applied their method to 40 MRI scans of ten patients, acquired at two different institutions. Two types of LGTs were included: Optic pathway gliomas and thalamic astrocytomas. For each scan, a “gold standard” was obtained manually by experienced radiologists. The method is evaluated versus the gold standard with three measures: gross total volume error, total surface distance, and reliability of tracking tumor components evolution. Results: Compared to the gold standard the authors' method exhibits a mean Dice similarity volumetric measure of 86.58% and a mean surface distance error of 0.25 mm. In terms of its reliability in tracking the evolution of the internal components, the method exhibits strong positive correlation with the gold standard. Conclusions: The authors' method provides accurate and repeatable delineation of the tumor and its internal components, which is essential for therapy assessment of LGTs. Reliable tracking of internal tumor components over time is novel and potentially will be useful to streamline and improve follow-up of brain tumors, with indolent growth and behavior.

  3. Growth of multi-component alloy films with controlled graded chemical composition on sub-nanometer scale

    DOE Patents [OSTI]

    Bajt, Sasa; Vernon, Stephen P.

    2005-03-15

    The chemical composition of thin films is modulated during their growth. A computer code has been developed to design specific processes for producing a desired chemical composition for various deposition geometries. Good agreement between theoretical and experimental results was achieved.

  4. Phase-resolved nanosecond spectrofluorometry: theory, instrumentation, and new applications of multicomponent analysis by subnanosecond fluorescence lifetimes

    SciTech Connect (OSTI)

    Mattheis, J.R.; Mitchell, G.W.; Spencer, R.D.

    1982-03-01

    We describe a new method, phase-resolved subnanosecond spectroscopy (PRS), for the spectral differentiation of fluorophores in a mixture. The technique required adding a phase-variable rectifying detector to the SLM 4800S phasespectrofluorometer. The theory of PRS is based on the sinusoidal fluorescence emission of a population of molecules in response to sinusodially modulated exicitation light. The total a-c fluorescence signal is passed through the phase-variable detector which nulls the emission signal of any component in quadrature with the reference angle. The emission characteristics of the remaining component, or components, are more readily and accurately revealed. We investigated the sensitivity and selectivity of PRS. The sensitivity of PRS was demonstrated by nulling the contribution of the Raman scatter band of a nanomolar solution of quinine bisulfate to the real-time emission spectrum resolved at 8-nm bandpass. We demonstrated the selectivity of PRS by resolving the emission spectrum of anthracene and perylene from a 1 : 1 mixture with a lifetime differential of only 600 ps. The emission spectra of 2.2-phenylene bis-(5-phenyloxazole) and dimethyl 2.2-phenylene bis-(5-phenyloxazole) were also resolved from a 1 : 1 mixture in ethanol. The lifetime differential here was only 200 ps.

  5. Multi-component catalyst mixture and process for catalytic cracking of heavy hydrocarbon feed to lighter products

    SciTech Connect (OSTI)

    Herbst, J.A.; Owen, H.; Schipper, P.H.

    1991-10-08

    This paper describes a catalytic cracking catalyst. It comprises: a bulk conversion cracking catalyst containing at least one component with an equivalent pore size of at least about 7 angstroms in a matrix, the bulk conversion cracking catalyst having physical properties which permit use in a fluidized or moving bed catalytic cracking reactor; a light paraffin upgrading catalyst comprising at least one zeolite having a constraint index of 1--12 and paraffin cracking/isomerization activity; and a light paraffin upgrading catalyst comprising at least one zeolite having a constraint index of 1--12 and paraffin aromatization activity, and wherein the upgrading catalysts have substantially the same physical properties as the bulk conversion cracking catalyst.

  6. A System And Method To Determine Thermophysical Properties Of A Multi-Component Gas At Arbitrary Temperature And Pressure

    DOE Patents [OSTI]

    Morrow, Thomas E.; Behring, II, Kendricks A.

    2004-03-09

    A method to determine thermodynamic properties of a natural gas hydrocarbon, when the speed of sound in the gas is known at an arbitrary temperature and pressure. Thus, the known parameters are the sound speed, temperature, pressure, and concentrations of any dilute components of the gas. The method uses a set of reference gases and their calculated density and speed of sound values to estimate the density of the subject gas. Additional calculations can be made to estimate the molecular weight of the subject gas, which can then be used as the basis for mass flow calculations, to determine the speed of sound at standard pressure and temperature, and to determine various thermophysical characteristics of the gas.

  7. Apparatus and method for maintaining multi-component sample gas constituents in vapor phase during sample extraction and cooling

    DOE Patents [OSTI]

    Felix, Larry Gordon; Farthing, William Earl; Irvin, James Hodges; Snyder, Todd Robert

    2010-05-11

    A dilution apparatus for diluting a gas sample. The apparatus includes a sample gas conduit having a sample gas inlet end and a diluted sample gas outlet end, and a sample gas flow restricting orifice disposed proximate the sample gas inlet end connected with the sample gas conduit and providing fluid communication between the exterior and the interior of the sample gas conduit. A diluted sample gas conduit is provided within the sample gas conduit having a mixing end with a mixing space inlet opening disposed proximate the sample gas inlet end, thereby forming an annular space between the sample gas conduit and the diluted sample gas conduit. The mixing end of the diluted sample gas conduit is disposed at a distance from the sample gas flow restricting orifice. A dilution gas source connected with the sample gas inlet end of the sample gas conduit is provided for introducing a dilution gas into the annular space, and a filter is provided for filtering the sample gas. The apparatus is particularly suited for diluting heated sample gases containing one or more condensable components.

  8. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; Mayer, Bernhard

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modifiedmore » to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

  9. Method and apparatus maintaining multi-component sample gas constituents in vapor phase during sample extraction and cooling

    DOE Patents [OSTI]

    Farthing, William Earl; Felix, Larry Gordon; Snyder, Todd Robert

    2009-12-15

    An apparatus and method for diluting and cooling that is extracted from high temperature and/or high pressure industrial processes. Through a feedback process, a specialized, CFD-modeled dilution cooler is employed along with real-time estimations of the point at which condensation will occur within the dilution cooler to define a level of dilution and diluted gas temperature that results in a gas that can be conveyed to standard gas analyzers that contains no condensed hydrocarbon compounds or condensed moisture.

  10. Method and apparatus for maintaining multi-component sample gas constituents in vapor phase during sample extraction and cooling

    DOE Patents [OSTI]

    Farthing, William Earl [Pinson, AL; Felix, Larry Gordon [Pelham, AL; Snyder, Todd Robert [Birmingham, AL

    2008-02-12

    An apparatus and method for diluting and cooling that is extracted from high temperature and/or high pressure industrial processes. Through a feedback process, a specialized, CFD-modeled dilution cooler is employed along with real-time estimations of the point at which condensation will occur within the dilution cooler to define a level of dilution and diluted gas temperature that results in a gas that can be conveyed to standard gas analyzers that contains no condensed hydrocarbon compounds or condensed moisture.

  11. Final Technical Report DE-FG02-99ER14933 Inversion of multicomponent seismic data and rock physics interpretation

    SciTech Connect (OSTI)

    Mavko, G.

    2006-03-15

    An important accomplishment was to understand the seismic velocity anisotropy resulting from the combined roles of depositional stratification and stress in unconsolidated sands. The report presents an experimental study of velocity anisotropy in unconsolidated sands at measured compressive stresses up to 40 bars, which correspond to the first hundred meters of the subsurface. Two types of velocity anisotropy are considered, that due to intrinsic textural anisotropy, and that due to stress anisotropy. We found that sand samples display a bi-linear dependence of velocity anisotropy with stress anisotropy. There exists a transition stress beyond which the stress-induced anisotropy outweighs the intrinsic anisotropy for three different sands.

  12. Favorable Geochemistry from Springs and Wells in COlorado

    SciTech Connect (OSTI)

    Zehner, Richard E.

    2012-02-01

    Citation Information: Originator: Geothermal Development Associates, Reno Nevada Originator: United States Geological Survey (USGS) Originator: Colorado Geological Survey Publication Date: 2012 Title: Favorable Geochemistry Edition: First Publication Information: Publication Place: Reno Nevada Publisher: Geothermal Development Associates, Reno, Nevada Description: This layer contains favorable geochemistry for high-temperature geothermal systems, as interpreted by Richard "Rick" Zehner. The data is compiled from the data obtained from the USGS. The original data set combines 15,622 samples collected in the State of Colorado from several sources including 1) the original Geotherm geochemical database, 2) USGS NWIS (National Water Information System), 3) Colorado Geological Survey geothermal sample data, and 4) original samples collected by R. Zehner at various sites during the 2011 field season. These samples are also available in a separate shapefile FlintWaterSamples.shp. Data from all samples were reportedly collected using standard water sampling protocols (filtering through 0.45 micron filter, etc.) Sample information was standardized to ppm (micrograms/liter) in spreadsheet columns. Commonly-used cation and silica geothermometer temperature estimates are included. Spatial Domain: Extent: Top: 4515595.841032 m Left: 149699.513964 m Right: 757959.309388 m Bottom: 4104156.435530 m Contact Information: Contact Organization: Geothermal Development Associates, Reno, Nevada Contact Person: Richard “Rick” Zehner Address: 3740 Barron Way City: Reno State: NV Postal Code: 89511 Country: USA Contact Telephone: 775-737-7806 Spatial Reference Information: Coordinate System: Universal Transverse Mercator (UTM) WGS’1984 Zone 13N False Easting: 500000.00000000 False Northing: 0.00000000 Central Meridian: -105.00000000 Scale Factor: 0.99960000 Latitude of Origin: 0.00000000 Linear Unit: Meter Datum: World Geodetic System 1984 (WGS ’1984) Prime Meridian: Greenwich Angular Unit: Degree Digital Form: Format Name: Shape file

  13. Indirect Measurement Of Nitrogen In A Multi-Component Gas By Measuring The Speed Of Sound At Two States Of The Gas.

    DOE Patents [OSTI]

    Morrow, Thomas B.; Behring, II, Kendricks A.

    2004-10-12

    A methods of indirectly measuring the nitrogen concentration in a gas mixture. The molecular weight of the gas is modeled as a function of the speed of sound in the gas, the diluent concentrations in the gas, and constant values, resulting in a model equation. Regression analysis is used to calculate the constant values, which can then be substituted into the model equation. If the speed of sound in the gas is measured at two states and diluent concentrations other than nitrogen (typically carbon dioxide) are known, two equations for molecular weight can be equated and solved for the nitrogen concentration in the gas mixture.

  14. Polyvinyl Chloride/Silica Nanoporous Composite Separator for All-Vanadium Redox Flow Battery Applications

    SciTech Connect (OSTI)

    Wei, Xiaoliang; Nie, Zimin; Luo, Qingtao; Li, Bin; Sprenkle, Vincent L.; Wang, Wei

    2013-04-22

    Redox flow batteries (RFBs) are capable of reversible conversion between electricity and chemical energy. Potential RFB applications resolve around mitigating the discrepancy between electricity production and consumption to improve the stability and utilization of the power infrastructure and tackling the intermittency of renewables such as photovoltaics or wind turbines to enable their reliable integration [1, 2]. Because the energy is stored in externally contained liquid electrolytes and the energy conversion reactions take place at the electrodes, RFBs hold a unique capability to separate energy and power and thus possess considerable design flexibility to meet either energy management driven or power rating oriented grid applications, which is considered to be a unparalleled advantage over conventional solid-state secondary batteries [3]. Other advantages of RFBs include fast response to load changes, high round-trip efficiency, long calender and cycle lives, safe operations, tolerance to deep discharge, etc. [4]. Among various flow battery chemistries, all-vanadium redox flow battery (VRB) was invented by Maria Skyllas-Kazacos at the University of New South Wales in the 1980s [5, 6] and have attracted substantial attention in both research and industrial communities today [7, 8]. A well-recognized advantage that makes VRB stands out among other redox chemistries is the reduced crossover contamination ascribed to employing four different oxidation states of the same vanadium element as the two redox couples. Recently, great progress has led to remarkably improved energy density of VRB by using sulfuric-chloric mixed acid supporting electrolytes that were stable at 2.5M vanadium and had wider operational temperature window of -5~50oC [9], compared with the traditional sulfuric acid VRB system [10].

  15. The effects of lithium hydroxide solution on alkali silica reaction gels created with opal

    SciTech Connect (OSTI)

    Mitchell, Lyndon D.; Beaudoin, James J.; Grattan-Bellew, Patrick

    2004-04-01

    The reaction of Nevada opal with calcium hydroxide, potassium hydroxide and lithium hydroxide solutions was investigated. In addition, opal was exposed to a combined solution of these three hydroxides. The progress of the three reactions was followed using X-ray diffraction (XRD), {sup 29}Si nuclear magnetic resonance (NMR) and scanning electron microscopy (SEM). The XRD results indicated the presence of a low-angle peak exclusive to the lithium-based reactions. The NMR results suggested a change in the silicate structure in the presence of lithium. These techniques indicated that the reaction of the alkali with the opal starting material is inhibited and perhaps stopped in the presence of lithium hydroxide. SEM revealed that the morphology of the reaction products on the surface of the reacted opal grains is markedly different invariably. It was concluded that evidence to support the theory of a protective layer exists and that the nature of the layer varies with ion type.

  16. Method to prevent recession loss of silica and silicon-containing materials in combustion gas environments

    DOE Patents [OSTI]

    Brun, Milivoj Konstantin (Ballston Lake, NY); Luthra, Krishan Lal (Niskayuna, NY)

    2003-01-01

    While silicon-containing ceramics or ceramic composites are prone to material loss in combustion gas environments, this invention introduces a method to prevent or greatly reduce the thickness loss by injecting directly an effective amount, generally in the part per million level, of silicon or silicon-containing compounds into the combustion gases.

  17. The Effect of Foaming and Silica Dissolution on Melter Feed Rheology during Conversion to Glass

    SciTech Connect (OSTI)

    Marcial, Jose; Chun, Jaehun; Hrma, Pavel R.; Schweiger, Michael J.

    2014-11-23

    As the nuclear waste glass melter feed is converted to molten glass, the feed eventually becomes a continuous glass-forming melt in which dissolving refractory constituents are suspended together with numerous gas bubbles. Knowledge of mechanical properties of the melter feed is crucial for understanding the feed-to-glass conversion as it occurs in the cold cap. We measured the viscosity during heating of the feed and correlated it with the independently determined volume fractions of dissolving quartz particles and the gas phase. The measurement was performed with a rotating spindle rheometer on the melter feed heated at 5 K/min starting at several different temperatures. The effect of quartz particles, gas bubbles, and compositional inhomogeneity on the glass-forming melt viscosity was determined by fitting a linear relationship between log viscosity and volume fractions of suspended phases to data.

  18. Nanostructured Cobalt Oxide Clusters in Mesoporous Silica as Efficient Oxygen-Evolving Catalysts

    SciTech Connect (OSTI)

    Jiao, Feng; Frei, Heinz

    2009-01-01

    The development of integrated artificial photosynthetic systems for the direct conversion of carbon dioxide and water to fuel depends on the availability of efficient and robust catalysts for the chemical transformations. Catalysts need to exhibit turnover frequency (TOF) and density (hence size) commensurate with the solar flux at ground level (1000Wm2, airmass (AM) 1.5)[1]to avoid wasting of incidentsolar photons. For example, a catalyst with a TOF of 100 s1 requires a density of one catalytic site per square nanometer. Catalysts with lower rates or taking up a larger space will require a high-surface-area, nanostructured support that affords tens to hundreds of catalytic sites per square nanometer. Furthermore, catalysts need to operate close to the thermodynamic potential of the redox reaction so that amaximum fraction of the solar photon energy is converted to chemical energy. Stability considerations favor all-inorganic oxide materials, as does avoidance of harsh reaction conditions of pH value or temperature.

  19. Method for silicon carbide production by reacting silica with hydrocarbon gas

    DOE Patents [OSTI]

    Glatzmaier, G.C.

    1994-06-28

    A method is described for producing silicon carbide particles using a silicon source material and a hydrocarbon. The method is efficient and is characterized by high yield. Finely divided silicon source material is contacted with hydrocarbon at a temperature of 400 C to 1000 C where the hydrocarbon pyrolyzes and coats the particles with carbon. The particles are then heated to 1100 C to 1600 C to cause a reaction between the ingredients to form silicon carbide of very small particle size. No grinding of silicon carbide is required to obtain small particles. The method may be carried out as a batch process or as a continuous process. 5 figures.

  20. Method for silicon carbide production by reacting silica with hydrocarbon gas

    DOE Patents [OSTI]

    Glatzmaier, Gregory C.

    1994-01-01

    A method is described for producing silicon carbide particles using a silicon source material and a hydrocarbon. The method is efficient and is characterized by high yield. Finely divided silicon source material is contacted with hydrocarbon at a temperature of 400.degree. C. to 1000.degree. C. where the hydrocarbon pyrolyzes and coats the particles with carbon. The particles are then heated to 1100.degree. C. to 1600.degree. C. to cause a reaction between the ingredients to form silicon carbide of very small particle size. No grinding of silicon carbide is required to obtain small particles. The method may be carried out as a batch process or as a continuous process.

  1. Nanostructured electrocatalyst for fuel cells : silica templated synthesis of Pt/C composites.

    SciTech Connect (OSTI)

    Stechel, Ellen Beth; Switzer, Elise E.; Fujimoto, Cy H.; Atanassov, Plamen Borissov; Cornelius, Christopher James; Hibbs, Michael R.

    2007-09-01

    Platinum-based electrocatalysts are currently required for state-of-the-art fuel cells and represent a significant portion of the overall fuel cell cost. If fuel cell technology is to become competitive with other energy conversion technologies, improve the utilization of precious metal catalysts is essential. A primary focus of this work is on creating enhanced nanostructured materials which improve precious-metal utilization. The goal is to engineer superior electrocatalytic materials through the synthesis, development and investigation of novel templated open frame structures synthesized in an aerosol-based approach. Bulk templating methods for both Pt/C and Pt-Ru composites are evaluated in this study and are found to be limited due to the fact that the nanostructure is not maintained throughout the entire sample. Therefore, an accurate examination of structural effects was previously impossible. An aerosol-based templating method of synthesizing nanostructured Pt-Ru electrocatalysts has been developed wherein the effects of structure can be related to electrocatalytic performance. The aerosol-based templating method developed in this work is extremely versatile as it can be conveniently modified to synthesize alternative materials for other systems. The synthesis method was able to be extended to nanostructured Pt-Sn for ethanol oxidation in alkaline media. Nanostructured Pt-Sn electrocatalysts were evaluated in a unique approach tailored to electrocatalytic studies in alkaline media. At low temperatures, nanostructured Pt-Sn electrocatalysts were found to have significantly higher ethanol oxidation activity than a comparable nanostructured Pt catalyst. At higher temperatures, the oxygen-containing species contribution likely provided by Sn is insignificant due to a more oxidized Pt surface. The importance of the surface coverage of oxygen-containing species in the reaction mechanism is established in these studies. The investigations in this work present original studies of anion exchange ionomers as entrapment materials for rotating disc electrode (RDE) studies in alkaline media. Their significance is linked to the development of membrane electrode assemblies (MEAs) with the same ionomer for a KOH-free alkaline fuel cell (AFC).

  2. Graphene oxide-silica nanohybrids as fillers for PA6 based nanocomposites

    SciTech Connect (OSTI)

    Maio, A.; Fucarino, R.; Khatibi, R.; Botta, L.; Scaffaro, R.; Rosselli, S.; Bruno, M.

    2014-05-15

    Graphene oxide (GO) was prepared by oxidation of graphite flakes by a mixture of H{sub 2}SO{sub 4}/H{sub 3}PO{sub 4} and KMnO{sub 4} based on Marcano's method. Two different masterbatches containing GO (33.3%) and polyamide-6 (PA6) (66.7%) were prepared both via solvent casting in formic acid and by melt mixing in a mini-extruder (Haake). The two masterbatches were then used to prepare PA6-based nanocomposites with a content of 2% in GO. For comparison, a nanocomposite by direct mixing of PA6 and GO (2%) and PA6/graphite nanocomposites were prepared, too. The oxidation of graphite into GO was assessed by X-ray diffraction (XRD), Micro-Raman spectroscopy, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) analyses. All these techniques demonstrated the effectiveness of the graphite modification, since the results put into evidence that, after the acid treatment, interlayer distance, oxygen content and defects increased. SEM micrographs carried out on the nanocomposites, showed GO layers totally surrounded by polyamide-6, this feature is likely due to the strong interaction between the hydrophilic moieties located both on GO and on PA6. On the contrary, no interactions were observed when graphite was used as filler. Mechanical characterization, carried out by tensile and dynamic-mechanical tests, marked an improvement of the mechanical properties observed. Photoluminescence and EPR measurements were carried out onto nanoparticles and nanocomposites to study the nature of the interactions and to assess the possibility to use this class of materials as semiconductors or optical sensors.

  3. Effects of low velocity air flow over alumina-silica insulating boards in solar environments

    SciTech Connect (OSTI)

    Maxwell, C.R.; Mulholland, G.P.; Couch, W.A.

    1987-01-01

    Results are reported from an experiment designed to determine whether low velocity air flow over insulating boards can increase their survivability in severe solar environments. The experiment was conducted at the Flux Gage Calibration Station located at Sandia National Laboratories' Solar Thermal Test Facility. Preliminary results indicate that the useful life for these boards can be significantly increased by air flowing over the hot surface of the board.

  4. Fracture Propagation and Permeability Change under Poro-thermoelastic Loads & Silica Reactivity in Enhanced Geothermal Systems

    SciTech Connect (OSTI)

    Ahmad Ghassemi

    2009-10-01

    Geothermal energy is recovered by circulating water through heat exchange areas within a hot rock mass. Geothermal reservoir rock masses generally consist of igneous and metamorphic rocks that have low matrix permeability. Therefore, cracks and fractures play a significant role in extraction of geothermal energy by providing the major pathways for fluid flow and heat exchange. Therefore, knowledge of the conditions leading to formation of fractures and fracture networks is of paramount importance. Furthermore, in the absence of natural fractures or adequate connectivity, artificial fractures are created in the reservoir using hydraulic fracturing. Multiple fractures are preferred because of the large size necessary when using only a single fracture. Although the basic idea is rather simple, hydraulic fracturing is a complex process involving interactions of high pressure fluid injections with a stressed hot rock mass, mechanical interaction of induced fractures with existing natural fractures, and the spatial and temporal variations of in-situ stress. As a result, it is necessary to develop tools that can be used to study these interactions as an integral part of a comprehensive approach to geothermal reservoir development, particularly enhanced geothermal systems. In response to this need we have developed advanced poro-thermo-chemo-mechanical fracture models for rock fracture research in support of EGS design. The fracture propagation models are based on a regular displacement discontinuity formulation. The fracture propagation studies include modeling interaction of induced fractures. In addition to the fracture propagation studies, two-dimensional solution algorithms have been developed and used to estimate the impact of pro-thermo-chemical processes on fracture permeability and reservoir pressure. Fracture permeability variation is studied using a coupled thermo-chemical model with quartz reaction kinetics. The model is applied to study quartz precipitation/dissolution, as well as the variation in fracture aperture and pressure. Also, a three-dimensional model of injection/extraction has been developed to consider the impact poro- and thermoelastic stresses on fracture slip and injection pressure. These investigations shed light on the processes involved in the observed phenomenon of injection pressure variation (e.g., in Coso), and allow the assessment of the potential of thermal and chemical stimulation strategies.

  5. Synthesis of attrition-resistant heterogeneous catalysts using templated mesoporous silica

    DOE Patents [OSTI]

    Pham, Hien N.; Datye, Abhaya K.

    2003-04-15

    The present invention relates to catalysts in mesoporous structures. In a preferred embodiment, the invention comprises a method for encapsulating a dispersed insoluble compound in a mesoporous structure comprising combining a soluble oxide precursor, a solvent, and a surfactant to form a mixture; dispersing an insoluble compound in the mixture; spray-drying the mixture to produce dry powder; and calcining the powder to yield a porous structure comprising the dispersed insoluble compound.

  6. The Effect of Foaming and Silica Dissolution on Melter Feed Rheology...

    Office of Scientific and Technical Information (OSTI)

    As the nuclear waste glass melter feed is converted to molten glass, the feed eventually ... Resource Type: Conference Resource Relation: Conference: Waste Management 2014 (WM2014 ...

  7. Geothermometry At Lassen Volcanic National Park Area (Janik ...

    Open Energy Info (EERE)

    sample taken had a pH of 8.35 and contained 2100 ppm Cl and 0.55 ppm NH3. Ratios of Na+K+ and Na+Cl remained nearly constant throughout the flow test. Cation geothermometers...

  8. The Role of Surface X-ray Scattering in Electrocatalysis

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    have resulted in highly selective multicomponent gas mixture sensors, human blood component sensors, new electrocatalysts for oxidationreduction of inorganic and...

  9. 15.12.03 Assembly - JCAP

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Assembly and Photocarrier Dynamics of Heterostructured Nanocomposite Photoanodes from Multicomponent Colloidal Nanocrystals Loiudice, A. et al. Assembly and Photocarrier Dynamics of Heterostructured Nanocomposite Photoanodes from Multicomponent Colloidal Nanocrystals. Nano Letters (2015), DOI: 10.1021/acs.nanolett.5b03871 (2015). Scientific Achievement Multicomponent oxides and their heterostructures were assembled with broad synthetic tunability. A combination of transient absorption

  10. 15.12.03 RH Assembly - JCAP

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Assembly and Photocarrier Dynamics of Heterostructured Nanocomposite Photoanodes from Multicomponent Colloidal Nanocrystals Loiudice, A. et al. Assembly and Photocarrier Dynamics of Heterostructured Nanocomposite Photoanodes from Multicomponent Colloidal Nanocrystals. Nano Letters (2015), DOI: 10.1021/acs.nanolett.5b03871 (2015). Scientific Achievement Multicomponent oxides and their heterostructures were assembled with broad synthetic tunability. A combination of transient absorption

  11. Variation of the shape and morphological properties of silica and metal oxide powders by electro homogeneous precipitation

    DOE Patents [OSTI]

    Harris, Michael T.; Basaran, Osman A.; Sisson, Warren G.; Brunson, Ronald R.

    1997-01-01

    The present invention provides a method for preparing irreversible linear aggregates (fibrils) of metal oxide powders by utilizing static or pulsed DC electrical fields across a relatively non-conducting liquid solvent in which organometal compounds or silicon alkoxides have been dissolved. The electric field is applied to the relatively non-conducting solution throughout the particle formation and growth process promoting the formation of either linear aggregates (fibrils) or spherical shaped particles as desired. Thus the present invention provides a physical method for altering the size, shape and porosity of precursor hydrous metal oxide or hydrous silicon oxide powders for the development of advanced ceramics with improved strength and insulating capacity.

  12. Variation of the shape and morphological properties of silica and metal oxide powders by electro homogeneous precipitation

    DOE Patents [OSTI]

    Harris, M.T.; Basaran, O.A.; Sisson, W.G.; Brunson, R.R.

    1997-02-18

    The present invention provides a method for preparing irreversible linear aggregates (fibrils) of metal oxide powders by utilizing static or pulsed DC electrical fields across a relatively non-conducting liquid solvent in which organometal compounds or silicon alkoxides have been dissolved. The electric field is applied to the relatively non-conducting solution throughout the particle formation and growth process promoting the formation of either linear aggregates (fibrils) or spherical shaped particles as desired. Thus the present invention provides a physical method for altering the size, shape and porosity of precursor hydrous metal oxide or hydrous silicon oxide powders for the development of advanced ceramics with improved strength and insulating capacity. 3 figs.

  13. Silica and boron-containing ultraphosphate laser glass with low concentration quenching and improved thermal shock resistance

    DOE Patents [OSTI]

    Cook, Lee M.; Stokowski, Stanley E.

    1987-04-28

    Neodymium-doped phosphate glasses having a refractive index, nd>1.520; an Abbe number, Vd, <60; a density <3.0 g/cm.sup.3, a thermal expansion coefficient, .alpha., .ltoreq.110.times.10.sup.-7 .degree.C..sup.-1 ; a Young's Modulus, E, <70.times.10.sup.3 N/mm.sup.2 ; a Poisson's Ratio, .nu., <0.28; a thermal conductivity, K, >0.5 W/m.multidot.K, a thermal FOM=(1-.nu.).multidot.K/.alpha.E>0.7, consisting essentially of, in mol. %: P.sub.2 O.sub.5 : 40-70% SiO.sub.2 : 0-20% B.sub.2 O.sub.3 : 5-20% Sum SiO.sub.2 +B.sub.2 O.sub.3 : 5-35% Sum Li.sub.2 O+Na.sub.2 O+K.sub.2 O: 5-20% Sum La.sub.2 O.sub.3 +Nd.sub.2 O.sub.3 : 3-10% Sum MgO+CaO+SrO+BaO+ZnO: 0-10% and preferably containing an amount of Nd.sub.2 O.sub.3 effective for laser activity having an emission cross-section, .sigma., >3.5.times.10.sup.-20 cm.sup.2 ; a fluorescence linewidth (.DELTA..lambda..sub.f1)<23.5 nm; a first e-folding time of the Nd.sup.3+ fluorescence at 0.5 wt. % Nd.sub.2 O.sub.3 >375 .mu.sec, and a first e-folding time of the Nd.sup.3+ fluorescence at 10 wt. % >175 .mu.sec at 10 wt. %, have very low self-concentration quenching rates.

  14. Mesoporous Silica-Supported Metal Oxide-Promoted Rh Nanocatalyst for Selective Production of Ethanol from Syngas

    SciTech Connect (OSTI)

    George Kraus

    2010-09-30

    The objective is to develop a process that will convert synthesis gas from coal into ethanol and then transform the ethanol into hydrogen. Principal investigators from Iowa State University include Dr. George Kraus, Dr. Victor Lin, Marek Pruski, and Dr. Robert Brown. Task 1 involves catalyst development and catalyst scale up. Mesoporous manganese silicate mixed oxide materials will be synthesized, characterized and evaluated. The first-and secondgeneration catalysts have been prepared and scaled up for use in Task 2. The construction of a high-pressure reactor system for producing synthetic liquid fuel from simulated synthesis gas stream has been completed as the first step in Task 2. Using the first- and second generation catalysts, the reactor has demonstrated the production of synthetic liquid fuel from a simulated synthesis gas stream.

  15. Erratum: “Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point” [AIP Advances 5, 077132 (2015)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kim, J. S.; Kim, S. Y.; Kim, D. H.; Ott, R. T.; Kim, H. G.; Lee, M. H.

    2015-12-30

    In the original manuscript, M. H. Lee’s affiliation number was incorrectly listed as 1. M. H. Lee’s correct affiliation number is 2 (Rare Metals R&D Group, Korea Institute of Industrial Technology, Incheon 406-840, South Korea). Furthermore, this change affects no other part of the paper.

  16. Low-temperature geothermal assessment of the Santa Clara and Virgin River Valleys, Washington County, Utah

    SciTech Connect (OSTI)

    Budding, K.E.; Sommer, S.N.

    1986-01-01

    Exploration techniques included the following: (1) a temperature survey of springs, (2) chemical analyses and calculated geothermometer temperatures of water samples collected from selected springs and wells, (3) chemical analyses and calculated geothermometer temperatures of spring and well water samples in the literature, (4) thermal gradients measured in accessible wells, and (5) geology. The highest water temperature recorded in the St. George basin is 42/sup 0/C at Pah Tempe Hot Springs. Additional spring temperatures higher than 20/sup 0/C are at Veyo Hot Spring, Washington hot pot, and Green Spring. The warmest well water in the study area is 40/sup 0/C in Middleton Wash. Additional warm well water (higher than 24.5/sup 0/C) is present north of St. George, north of Washington, southeast of St. George, and in Dameron Valley. The majority of the Na-K-Ca calculated reservoir temperatures range between 30/sup 0/ and 50/sup 0/C. Anomalous geothermometer temperatures were calculated for water from Pah Tempe and a number of locations in St. George and vicinity. In addition to the known thermal areas of Pah Tempe and Veyo Hot Spring, an area north of Washington and St. George is delineated in this study to have possible low-temperature geothermal potential.

  17. Deep Geothermal Reservoir Temperatures in the Eastern Snake River Plain,

    Office of Scientific and Technical Information (OSTI)

    Idaho using Multicomponent Geothermometry (Conference) | SciTech Connect Conference: Deep Geothermal Reservoir Temperatures in the Eastern Snake River Plain, Idaho using Multicomponent Geothermometry Citation Details In-Document Search Title: Deep Geothermal Reservoir Temperatures in the Eastern Snake River Plain, Idaho using Multicomponent Geothermometry The U.S. Geological survey has estimated that there are up to 4,900 MWe of undiscovered geothermal resources and 92,000 MWe of enhanced

  18. DEVELOPMENT OF METHOD AND ALGORITHMS TO IDENTIFY EASILY IMPLEMENTABLE

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ENERGY-EFFICIENT LOW-COST MULTICOMPONENT DISTILLATION COLUMN TRAINS WITH LARGE ENERGY SAVINGS FOR WIDE NUMBER OF SEPARATIONS | Department of Energy DEVELOPMENT OF METHOD AND ALGORITHMS TO IDENTIFY EASILY IMPLEMENTABLE ENERGY-EFFICIENT LOW-COST MULTICOMPONENT DISTILLATION COLUMN TRAINS WITH LARGE ENERGY SAVINGS FOR WIDE NUMBER OF SEPARATIONS DEVELOPMENT OF METHOD AND ALGORITHMS TO IDENTIFY EASILY IMPLEMENTABLE ENERGY-EFFICIENT LOW-COST MULTICOMPONENT DISTILLATION COLUMN TRAINS WITH LARGE

  19. Dr James S Horwitz | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    His research at NRL focused on lasermaterial interactions relevant to the pulsed laser deposition of multicomponent thin films. The work included the deposition and application of ...

  20. Mixed Solvent Electrolyte Model | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    The model incorporates chemical equilibria to account for chemical speciation in multiphase, multicomponent systems. For this purpose, the model combines standard-state ...