National Library of Energy BETA

Sample records for hydrates system dynamics

  1. Gas hydrate cool storage system

    DOE Patents [OSTI]

    Ternes, M.P.; Kedl, R.J.

    1984-09-12

    The invention presented relates to the development of a process utilizing a gas hydrate as a cool storage medium for alleviating electric load demands during peak usage periods. Several objectives of the invention are mentioned concerning the formation of the gas hydrate as storage material in a thermal energy storage system within a heat pump cycle system. The gas hydrate was formed using a refrigerant in water and an example with R-12 refrigerant is included. (BCS)

  2. Temporal Characterization of Hydrates System Dynamics beneath Seafloor Mounds. Integrating Time-Lapse Electrical Resistivity Methods and In Situ Observations of Multiple Oceanographic Parameters

    SciTech Connect (OSTI)

    Lutken, Carol; Macelloni, Leonardo; D'Emidio, Marco; Dunbar, John; Higley, Paul

    2015-01-31

    This study was designed to investigate temporal variations in hydrate system dynamics by measuring changes in volumes of hydrate beneath hydrate-bearing mounds on the continental slope of the northern Gulf of Mexico, the landward extreme of hydrate occurrence in this region. Direct Current Resistivity (DCR) measurements were made contemporaneously with measurements of oceanographic parameters at Woolsey Mound, a carbonate-hydrate complex on the mid-continental slope, where formation and dissociation of hydrates are most vulnerable to variations in oceanographic parameters affected by climate change, and where changes in hydrate stability can readily translate to loss of seafloor stability, impacts to benthic ecosystems, and venting of greenhouse gases to the water-column, and eventually, the atmosphere. We focused our study on hydrate within seafloor mounds because the structurally-focused methane flux at these sites likely causes hydrate formation and dissociation processes to occur at higher rates than at sites where the methane flux is less concentrated and we wanted to maximize our chances of witnessing association/dissociation of hydrates. We selected a particularly well-studied hydrate-bearing seafloor mound near the landward extent of the hydrate stability zone, Woolsey Mound (MC118). This mid-slope site has been studied extensively and the project was able to leverage considerable resources from the team’s research experience at MC118. The site exhibits seafloor features associated with gas expulsion, hydrates have been documented at the seafloor, and changes in the outcropping hydrates have been documented, photographically, to have occurred over a period of months. We conducted observatory-based, in situ measurements to 1) characterize, geophysically, the sub-bottom distribution of hydrate and its temporal variability, and 2) contemporaneously record relevant environmental parameters (temperature, pressure, salinity, turbidity, bottom currents) to

  3. Hydration water dynamics and instigation of protein structuralrelaxation

    SciTech Connect (OSTI)

    Russo, Daniela; Hura, Greg; Head-Gordon, Teresa

    2003-09-01

    Until a critical hydration level is reached, proteins do not function. This critical level of hydration is analogous to a similar lack of protein function observed for temperatures below a dynamical temperature range of 180-220K that also is connected to the dynamics of protein surface water. Restoration of some enzymatic activity is observed in partially hydrated protein powders, sometimes corresponding to less than a single hydration layer on the protein surface, which indicates that the dynamical and structural properties of the surface water is intimately connected to protein stability and function. Many elegant studies using both experiment and simulation have contributed important information about protein hydration structure and timescales. The molecular mechanism of the solvent motion that is required to instigate the protein structural relaxation above a critical hydration level or transition temperature has yet to be determined. In this work we use experimental quasi-elastic neutron scattering (QENS) and molecular dynamics simulation to investigate hydration water dynamics near a greatly simplified protein system. We consider the hydration water dynamics near the completely deuterated N-acetyl-leucine-methylamide (NALMA) solute, a hydrophobic amino acid side chain attached to a polar blocked polypeptide backbone, as a function of concentration between 0.5M-2.0M under ambient conditions. We note that roughly 50-60% of a folded protein's surface is equally distributed between hydrophobic and hydrophilic domains, domains whose lengths are on the order of a few water diameters, that justify our study of hydration dynamics of this simple model protein system. The QENS experiment was performed at the NIST Center for Neutron Research, using the disk chopper time of flight spectrometer (DCS). In order to separate the translational and rotational components in the spectra, two sets of experiments were carried out using different incident neutron wavelengths of 7

  4. Nucleation Rate Analysis of Methane Hydrate from Molecular Dynamics Simulations

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

    Yuhara, Daisuke; Barnes, Brian C.; Suh, Donguk; Knott, Brandon C.; Beckham, Gregg T.; Yasuoka, Kenji; Wu, David T.; Amadeu K. Sum

    2015-01-06

    Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Moreover, various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP)more » methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates were calculated by MFPT and SP methods and are within 5%; the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.« less

  5. Time-dependent water dynamics in hydrated uranyl fluoride

    SciTech Connect (OSTI)

    Miskowiec, Andrew J.; Anderson, Brian B.; Herwig, Kenneth W.; Huq, Ashfia; Mamontov, Eugene; Rondinone, Adam; Trowbridge, Lee D.

    2015-09-15

    In this study, uranyl fluoride is a three-layer, hexagonal structure with significant stacking disorder in the c-direction. It supports a range of unsolved ‘thermodynamic’ hydrates with 0–2.5 water molecules per uranium atom, and perhaps more. However, the relationship between water, hydrate crystal structures, and thermodynamic results, collectively representing the chemical pathway through these hydrate structures, has not been sufficiently elucidated. We used high-resolution quasielastic neutron scattering to study the dynamics of water in partially hydrated uranyl fluoride powder over the course of 4 weeks under closed conditions. The spectra are composed of two quasielastic components: one is associated with translational diffusive motion of water that is approximately five to six times slower than bulk water, and the other is a slow (on the order of 2–300 ps), spatially bounded water motion. The translational component represents water diffusing between the weakly bonded layers in the crystal, while the bounded component may represent water trapped in subnanometre ‘pockets’ formed by the space between uranium-centred polymerisation units. Complementary neutron diffraction measurements do not show any significant structural changes, suggesting that a chemical conversion of the material does not occur in the thermodynamically isolated system on this timescale.

  6. Time-dependent water dynamics in hydrated uranyl fluoride

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

    Miskowiec, Andrew J.; Anderson, Brian B.; Herwig, Kenneth W.; Huq, Ashfia; Mamontov, Eugene; Rondinone, Adam; Trowbridge, Lee D.

    2015-09-15

    In this study, uranyl fluoride is a three-layer, hexagonal structure with significant stacking disorder in the c-direction. It supports a range of unsolved ‘thermodynamic’ hydrates with 0–2.5 water molecules per uranium atom, and perhaps more. However, the relationship between water, hydrate crystal structures, and thermodynamic results, collectively representing the chemical pathway through these hydrate structures, has not been sufficiently elucidated. We used high-resolution quasielastic neutron scattering to study the dynamics of water in partially hydrated uranyl fluoride powder over the course of 4 weeks under closed conditions. The spectra are composed of two quasielastic components: one is associated with translationalmore » diffusive motion of water that is approximately five to six times slower than bulk water, and the other is a slow (on the order of 2–300 ps), spatially bounded water motion. The translational component represents water diffusing between the weakly bonded layers in the crystal, while the bounded component may represent water trapped in subnanometre ‘pockets’ formed by the space between uranium-centred polymerisation units. Complementary neutron diffraction measurements do not show any significant structural changes, suggesting that a chemical conversion of the material does not occur in the thermodynamically isolated system on this timescale.« less

  7. Gas hydrate cool storage system

    DOE Patents [OSTI]

    Ternes, Mark P. (Knoxville, TN); Kedl, Robert J. (Oak Ridge, TN)

    1985-01-01

    This invention is a process for formation of a gas hydrate to be used as a cool storage medium using a refrigerant in water. Mixing of the immiscible refrigerant and water is effected by addition of a surfactant and agitation. The difficult problem of subcooling during the process is overcome by using the surfactant and agitation and performance of the process significantly improves and approaches ideal.

  8. Dynamics of lysozyme and its hydration water under electric field

    SciTech Connect (OSTI)

    Favi, Pelagie M; Zhang, Qiu; O'Neill, Hugh Michael; Mamontov, Eugene; Omar Diallo, Souleymane; Palmer, Jeremy

    2014-01-01

    The effects of static electric field on the dynamics of lysozyme and its hydration water have been investigated by means of incoherent quasi-elastic neutron scattering (QENS). Measurements were performed on lysozyme samples, hydrated respectively with heavy water (D2O) to capture the protein dynamics, and with light water (H2O), to probe the dynamics of the hydration shell, in the temperature range from 210 < T < 260 K. The hydration fraction in both cases was about 0.38 gram of water per gram of dry protein. The field strengths investigated were respectively 0 kV/mm and 2 kV/mm ( 2 106 V/m) for the protein hydrated with D2O and 0 kV and 1 kV/mm for the H2O-hydrated counterpart. While the overall internal protons dynamics of the protein appears to be unaffected by the application of electric field up to 2 kV/mm, likely due to the stronger intra-molecular interactions, there is also no appreciable quantitative enhancement of the diffusive dynamics of the hydration water, as would be anticipated based on our recent observations in water confined in silica pores under field values of 2.5 kV/mm. This may be due to the difference in surface interactions between water and the two adsorption hosts (silica and protein), or to the existence of a critical threshold field value Ec 2 3 kV/mm for increased molecular diffusion, for which electrical breakdown is a limitation for our sample.

  9. DPF-"Hydrated EGR" Fuel Saver System

    Office of Energy Efficiency and Renewable Energy (EERE)

    GreenPower muffler uses hydrated exhaust gas recirculation to reduce NOx and improve fuel efficiency

  10. Method for controlling clathrate hydrates in fluid systems

    DOE Patents [OSTI]

    Sloan, Jr., Earle D.

    1995-01-01

    Discussed is a process for preventing clathrate hydrate masses from impeding the flow of fluid in a fluid system. An additive is contacted with clathrate hydrate masses in the system to prevent those clathrate hydrate masses from impeding fluid flow. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member and/or six member cyclic chemical groupings. Additives include poly(N-vinyl-2-pyrrolidone) and hydroxyethylcellulose, either in combination or alone.

  11. Ion mixing, hydration, and transport in aqueous ionic systems

    SciTech Connect (OSTI)

    Tse, Ying-Lung Steve; Voth, Gregory A.; Witten, Thomas A.

    2015-05-14

    The enhancement effect on the ion mobility of fluoride (and that of chloride) in a polycationic system, as the chloride content increases, is shown to also exist in other more simple ionic systems with cations such as the cesium ion and an organic ammonium ion. As the chloride content increases, in addition to the finding that there is more unbound water associated with the cation, we also observe that the average lifetime of a hydrogen bond decreases. This change to the hydrogen bonds is correlated to significant changes to both the structural and dynamical properties of water. The more disordered water structure and faster water dynamics are hypothesized to be also responsible for the enhanced ion mobilities. Furthermore, when either the chloride content or hydration level is changed, the self-diffusion constant of each co-ion changes by almost the same factor, implying the existence of a single universal transport mechanism that determines ion mobilities.

  12. Dynamical behaviors of structural, constrained and free water in calcium- and magnesium-silicate-hydrate gels

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

    Le, Peisi; Fratini, Emiliano; Ito, Kanae; Wang, Zhe; Mamontov, Eugene; Baglioni, Piero; Chen, Sow-Hsin

    2016-01-28

    We present the hypothesis that the mechanical properties of cement pastes depend strongly on their porosities. In a saturated paste, the porosity links to the free water volume after hydration. Structural water, constrained water, and free water have different dynamical behavior. Hence, it should be possible to extract information on pore system by exploiting the water dynamics. With our experiments we investigated the slow dynamics of hydration water confined in calcium- and magnesium-silicate-hydrate (C-S-H and M-S-H) gels using high-resolution quasi-elastic neutron scattering (QENS) technique. C-S-H and M-S-H are the chemical binders present in calcium rich and magnesium rich cements. Wemore » measured three M-S-H samples: pure M-S-H, M-S-H with aluminum-silicate nanotubes (ASN), and M-S-H with carboxyl group functionalized ASN (ASN-COOH). A C-S-H sample with the same water content (i.e. 0.3) is also studied for comparison. We found that structural water in the gels contributes to the elastic component of the QENS spectrum, while constrained water and free water contribute the quasi-elastic component. The quantitative analysis suggests that the three components vary for different samples and indicate the variance in the system porosity, which controls the mechanical properties of cement pastes.« less

  13. Metal halogen battery system with multiple outlet nozzle for hydrate

    DOE Patents [OSTI]

    Bjorkman, Jr., Harry K.

    1983-06-21

    A metal halogen battery system, including at least one cell having a positive electrode and a negative electrode contacted by aqueous electrolyte containing the material of said metal and halogen, store means whereby halogen hydrate is formed and stored as part of an aqueous material, means for circulating electrolyte through the cell and to the store means, and conduit means for transmitting halogen gas formed in the cell to a hydrate former whereby the hydrate is formed in association with the store means, said store means being constructed in the form of a container which includes a filter means, said filter means being inoperative to separate the hydrate formed from the electrolyte, said system having, a hydrate former pump means associated with the store means and being operative to intermix halogen gas with aqueous electrolyte to form halogen hydrate, said hydrate former means including, multiple outlet nozzle means connected with the outlet side of said pump means and being operative to minimize plugging, said nozzle means being comprised of at least one divider means which is generally perpendicular to the rotational axes of gears within the pump means, said divider means acting to divide the flow from the pump means into multiple outlet flow paths.

  14. Molecular dynamics simulations of methane hydrate using polarizable force fields

    SciTech Connect (OSTI)

    Jiang, H.N.; Jordan, K.D.; Taylor, C.E.

    2007-03-01

    Molecular dynamics simulations of methane hydrate have been carried out using the AMOEBA and COS/G2 polarizable force fields. Properties examined include the temperature dependence of the lattice constant, the OC and OO radial distribution functions and the vibrational spectra. Both the AMOEBA and COS/G2 models are found to successfully account for the available experimental data, with overall slightly better agreement with experiment being found for the AMOEBA model. Several properties calculated using the AMOEBA and COS/G2 models differ appreciable from the corresponding results obtained previously using the polarizable TIP4P-FQ model. This appears to be due to the inadequacy of the treatment of polarization, especially, the restriction of polarization to in-plane only, in the TIP4P-FQ model.

  15. Method for controlling clathrate hydrates in fluid systems

    DOE Patents [OSTI]

    Sloan, E.D. Jr.

    1995-07-11

    Discussed is a process for preventing clathrate hydrate masses from impeding the flow of fluid in a fluid system. An additive is contacted with clathrate hydrate masses in the system to prevent those clathrate hydrate masses from impeding fluid flow. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member, six member and/or seven member cyclic chemical groupings. Additives include poly(N-vinyl-2-pyrrolidone) and hydroxyethylcellulose, either in combination or alone. Additives can also contain multiple cyclic chemical groupings having different size rings. One such additive is sold under the name Gaffix VC-713.

  16. Method for controlling clathrate hydrates in fluid systems

    DOE Patents [OSTI]

    Sloan, Jr., Earle D.

    1995-01-01

    Discussed is a process for preventing clathrate hydrate masses from impeding the flow of fluid in a fluid system. An additive is contacted with clathrate hydrate masses in the system to prevent those clathrate hydrate masses from impeding fluid flow. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member, six member and/or seven member cyclic chemical groupings. Additives include poly(N-vinyl-2-pyrrolidone) and hydroxyethylcellulose, either in combination or alone. Additives can also contain multiple cyclic chemical groupings having different size rings. One such additive is sold under the name Gaffix VC-713.

  17. {sup 1}H nuclear magnetic resonance study of hydrated water dynamics in perfluorosulfonic acid ionomer Nafion

    SciTech Connect (OSTI)

    Han, Jun Hee; Lee, Kyu Won; Jeon, G. W.; Lee, Cheol Eui; Park, W. K.; Choi, E. H.

    2015-01-12

    We have studied the dynamics of hydrated water molecules in the proton exchange membrane of Nafion by means of high-resolution {sup 1}H nuclear magnetic resonance (NMR) measurements. “Bound” and “free” states of hydrated water clusters as well as the exchange protons were identified from the NMR chemical shift measurements, and their activation energies were obtained from the temperature-dependent laboratory- and rotating-frame spin-lattice relaxation measurements. Besides, a peculiar motional transition in the ultralow frequency region was observed at 373 K for the “free” hydrated water from the rotating-frame NMR spin-lattice relaxation time measurements.

  18. Coupling of the hydration water dynamics and the internal dynamics of actin detected by quasielastic neutron scattering

    SciTech Connect (OSTI)

    Fujiwara, Satoru; Plazanet, Marie; Oda, Toshiro

    2013-02-15

    Highlights: ► Quasielastic neutron scattering spectra of F-actin and G-actin were measured. ► Analysis of the samples in D{sub 2}O and H{sub 2}O provided the spectra of hydration water. ► The first layer hydration water around F-actin is less mobile than around G-actin. ► This difference in hydration water is in concert with the internal dynamics of actin. ► Water outside the first layer behaves bulk-like but influenced by the first layer. -- Abstract: In order to characterize dynamics of water molecules around F-actin and G-actin, quasielastic neutron scattering experiments were performed on powder samples of F-actin and G-actin, hydrated either with D{sub 2}O or H{sub 2}O, at hydration ratios of 0.4 and 1.0. By combined analysis of the quasielastic neutron scattering spectra, the parameter values characterizing the dynamics of the water molecules in the first hydration layer and those of the water molecules outside of the first layer were obtained. The translational diffusion coefficients (D{sub T}) of the hydration water in the first layer were found to be 1.2 × 10{sup −5} cm{sup 2}/s and 1.7 × 10{sup −5} cm{sup 2}/s for F-actin and G-actin, respectively, while that for bulk water was 2.8 × 10{sup −5} cm{sup 2}/s. The residence times were 6.6 ps and 5.0 ps for F-actin and G-actin, respectively, while that for bulk water was 0.62 ps. These differences between F-actin and G-actin, indicating that the hydration water around G-actin is more mobile than that around F-actin, are in concert with the results of the internal dynamics of F-actin and G-actin, showing that G-actin fluctuates more rapidly than F-actin. This implies that the dynamics of the hydration water is coupled to the internal dynamics of the actin molecules. The D{sub T} values of the water molecules outside of the first hydration layer were found to be similar to that of bulk water though the residence times are strongly affected by the first hydration layer. This supports the

  19. Structural Phase Transitions and Water Dynamics in Uranyl Fluoride Hydrates

    SciTech Connect (OSTI)

    Miskowiec, Andrew J.; Kirkegaard, Marie C.; Huq, Ashfia; Mamontov, Eugene; Herwig, Kenneth W.; Trowbridge, Lee D.; Rondinone, Adam Justin; Anderson, Brian B.

    2015-11-17

    We report a novel production method for uranium oxy uoride [(UO2)7F14(H2O)7] 4H2O, referred to as structure D. Structure D is produced as a product of hydrating anhydrous uranyl uoride, UO2F2, through the gas phase at ambient temperatures fol- lowed by desiccation by equilibration with a dry environment. We follow the structure of [(UO2)7F14(H2O)7] 4H2O through an intermediate, liquid-like phase, wherein the coordination number of the uranyl ion is reduced to 5 (from 6 in the anhydrous struc- ture), and a water molecule binds as an equatorial ligand to the uranyl ion. Quasielas- tic neutron scattering results compare well with previous measurements of mineral hydrates. The two groups of structurally distinct water molecules in D perform re- stricted motion on a length scale commensurate with the O{H bond (r = 0.92 A). The more tightly bound equatorial ligand waters rotate slower (Dr = 2.2 ps-1) than their hydrogen-bonded partners (Dr = 28.7 ps-1).

  20. Structural Phase Transitions and Water Dynamics in Uranyl Fluoride Hydrates

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

    Miskowiec, Andrew J.; Kirkegaard, Marie C.; Huq, Ashfia; Mamontov, Eugene; Herwig, Kenneth W.; Trowbridge, Lee D.; Rondinone, Adam Justin; Anderson, Brian B.

    2015-11-17

    We report a novel production method for uranium oxy uoride [(UO2)7F14(H2O)7] 4H2O, referred to as structure D. Structure D is produced as a product of hydrating anhydrous uranyl uoride, UO2F2, through the gas phase at ambient temperatures fol- lowed by desiccation by equilibration with a dry environment. We follow the structure of [(UO2)7F14(H2O)7] 4H2O through an intermediate, liquid-like phase, wherein the coordination number of the uranyl ion is reduced to 5 (from 6 in the anhydrous struc- ture), and a water molecule binds as an equatorial ligand to the uranyl ion. Quasielas- tic neutron scattering results compare well with previousmore » measurements of mineral hydrates. The two groups of structurally distinct water molecules in D perform re- stricted motion on a length scale commensurate with the O{H bond (r = 0.92 A). The more tightly bound equatorial ligand waters rotate slower (Dr = 2.2 ps-1) than their hydrogen-bonded partners (Dr = 28.7 ps-1).« less

  1. Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties

    SciTech Connect (OSTI)

    Fogarty, Aoife C. Potestio, Raffaello Kremer, Kurt

    2015-05-21

    A fully atomistic modelling of many biophysical and biochemical processes at biologically relevant length- and time scales is beyond our reach with current computational resources, and one approach to overcome this difficulty is the use of multiscale simulation techniques. In such simulations, when system properties necessitate a boundary between resolutions that falls within the solvent region, one can use an approach such as the Adaptive Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly during the simulation. Here, we apply the existing AdResS methodology to biomolecular systems, simulating a fully atomistic protein with an atomistic hydration shell, solvated in a coarse-grained particle reservoir and heat bath. Using as a test case an aqueous solution of the regulatory protein ubiquitin, we first confirm the validity of the AdResS approach for such systems, via an examination of protein and solvent structural and dynamical properties. We then demonstrate how, in addition to providing a computational speedup, such a multiscale AdResS approach can yield otherwise inaccessible physical insights into biomolecular function. We use our methodology to show that protein structure and dynamics can still be correctly modelled using only a few shells of atomistic water molecules. We also discuss aspects of the AdResS methodology peculiar to biomolecular simulations.

  2. Inter-cage dynamics in structure I, II, and H fluoromethane hydrates as studied by NMR and molecular dynamics simulations

    SciTech Connect (OSTI)

    Trueba, Alondra Torres; Kroon, Maaike C.; Peters, Cor J.; Moudrakovski, Igor L.; Ratcliffe, Christopher I.; Ripmeester, John A.; Alavi, Saman

    2014-06-07

    Prospective industrial applications of clathrate hydrates as materials for gas separation require further knowledge of cavity distortion, cavity selectivity, and defects induction by guest-host interactions. The results presented in this contribution show that under certain temperature conditions the guest combination of CH{sub 3}F and a large polar molecule induces defects on the clathrate hydrate framework that allow intercage guest dynamics. {sup 13}C NMR chemical shifts of a CH{sub 3}F/CH{sub 4}/TBME sH hydrate and a temperature analysis of the {sup 2}H NMR powder lineshapes of a CD{sub 3}F/THF sII and CD{sub 3}F/TBME sH hydrate, displayed evidence that the populations of CH{sub 4} and CH{sub 3}F in the D and D{sup ?} cages were in a state of rapid exchange. A hydrogen bonding analysis using molecular dynamics simulations on the TBME/CH{sub 3}F and TBME/CH{sub 4} sH hydrates showed that the presence of CH{sub 3}F enhances the hydrogen bonding probability of the TBME molecule with the water molecules of the cavity. Similar results were obtained for THF/CH{sub 3}F and THF/CH{sub 4} sII hydrates. The enhanced hydrogen bond formation leads to the formation of defects in the water hydrogen bonding lattice and this can enhance the migration of CH{sub 3}F molecules between adjacent small cages.

  3. Dynamics of a globular protein and its hydration water studied by neutron scattering and MD simulations

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

    Chen, Sow-Hsin; Lagi, Marco; Chu, Xiang-qiang; Zhang, Yang; Kim, Chansoo; Faraone, Antonio; Fratini, Emiliano; Baglioni, Piero

    2010-01-01

    This review article describes our neutron scattering experiments made in the past four years for the understanding of the single-particle (hydrogen atom) dynamics of a protein and its hydration water and the strong coupling between them. We found that the key to this strong coupling is the existence of a fragile-to-strong dynamic crossover (FSC) phenomenon occurring at around T L = 225±5 K in the hydration water. On lowering of the temperature toward FSC, the structure of hydration water makes a transition from predominantly the high density form (HDL), a more fluid state, to predominantly the low density formmore » (LDL), a less fluid state, derived from the existence of a liquid–liquid critical point at an elevated pressure. We show experimentally that this sudden switch in the mobility of hydration water on Lysozyme, B-DNA and RNA triggers the dynamic transition, at a temperature T D = 220 K, for these biopolymers. In the glassy state, below T D , the biopolymers lose their vital conformational flexibility resulting in a substantial diminishing of their biological functions. We also performed molecular dynamics (MD) simulations on a realistic model of hydrated lysozyme powder, which confirms the existence of the FSC and the hydration level dependence of the FSC temperature. Furthermore, we show a striking feature in the short time relaxation ( β -relaxation) of protein dynamics, which is the logarithmic decay spanning 3 decades (from ps to ns). The long time α -relaxation shows instead a diffusive behavior, which supports the liquid-like motions of protein constituents. We then discuss our recent high-resolution X-ray inelastic scattering studies of globular proteins, Lysozyme and Bovine Serum Albumin. We were able to measure the dispersion relations of collective, intra-protein phonon-like excitations in these proteins for the first time. We found that the phonon energies show a marked softening and at the same time their population increases

  4. Tricalcium aluminate hydration in additivated systems. A crystallograp...

    Office of Scientific and Technical Information (OSTI)

    ... GYPSUM; HYDRATION; LATTICE PARAMETERS; NUCLEATION; PORTLAND CEMENT; PRECIPITATION; SULFITES; SYNCHROTRON RADIATION; X-RAY DIFFRACTION Word Cloud More Like This Full Text Journal ...

  5. Oil & Natural Gas Technology Temporal Characterization of Hydrates...

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

    Oil & Natural Gas Technology Temporal Characterization of Hydrates System Dynamics ... the northern GOM (http:www.boem.govOil-and-Gas-Energy-ProgramMapping- and-Data...

  6. TOUGH+Hydrate v1.0 User's Manual: A Code for the Simulation of System Behavior in Hydrate-Bearing Geologic Media

    SciTech Connect (OSTI)

    Moridis, George; Moridis, George J.; Kowalsky, Michael B.; Pruess, Karsten

    2008-03-01

    TOUGH+HYDRATE v1.0 is a new code for the simulation of the behavior of hydrate-bearing geologic systems. By solving the coupled equations of mass and heat balance, TOUGH+HYDRATE can model the non-isothermal gas release, phase behavior and flow of fluids and heat under conditions typical of common natural CH{sub 4}-hydrate deposits (i.e., in the permafrost and in deep ocean sediments) in complex geological media at any scale (from laboratory to reservoir) at which Darcy's law is valid. TOUGH+HYDRATE v1.0 includes both an equilibrium and a kinetic model of hydrate formation and dissociation. The model accounts for heat and up to four mass components, i.e., water, CH{sub 4}, hydrate, and water-soluble inhibitors such as salts or alcohols. These are partitioned among four possible phases (gas phase, liquid phase, ice phase and hydrate phase). Hydrate dissociation or formation, phase changes and the corresponding thermal effects are fully described, as are the effects of inhibitors. The model can describe all possible hydrate dissociation mechanisms, i.e., depressurization, thermal stimulation, salting-out effects and inhibitor-induced effects. TOUGH+HYDRATE is the first member of TOUGH+, the successor to the TOUGH2 [Pruess et al., 1991] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. It is written in standard FORTRAN 95, and can be run on any computational platform (workstation, PC, Macintosh) for which such compilers are available.

  7. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    SciTech Connect (OSTI)

    Varanasi, S. R. E-mail: guskova@ipfdd.de; John, A.; Guskova, O. A. E-mail: guskova@ipfdd.de; Sommer, J.-U.

    2015-06-14

    Fullerene C{sub 60} sub-colloidal particle with diameter ?1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C{sub 60} fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent moleculeswater retardationin the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the dangling OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some dry regions of C{sub 60} are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique.

  8. Additives and method for controlling clathrate hydrates in fluid systems

    DOE Patents [OSTI]

    Sloan, E.D. Jr.; Christiansen, R.L.; Lederhos, J.P.; Long, J.P.; Panchalingam, V.; Du, Y.; Sum, A.K.W.

    1997-06-17

    Discussed is a process for preventing clathrate hydrate masses from detrimentally impeding the possible flow of a fluid susceptible to clathrate hydrate formation. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member, six member and/or seven member cyclic chemical groupings. Additives include polymers having lactam rings. Additives can also contain polyelectrolytes that are believed to improve conformance of polymer additives through steric hindrance and/or charge repulsion. Also, polymers having an amide on which a C{sub 1}-C{sub 4} group is attached to the nitrogen and/or the carbonyl carbon of the amide may be used alone, or in combination with ring-containing polymers for enhanced effectiveness. Polymers having at least some repeating units representative of polymerizing at least one of an oxazoline, an N-substituted acrylamide and an N-vinyl alkyl amide are preferred.

  9. Additives and method for controlling clathrate hydrates in fluid systems

    DOE Patents [OSTI]

    Sloan, Jr., Earle Dendy; Christiansen, Richard Lee; Lederhos, Joseph P.; Long, Jin Ping; Panchalingam, Vaithilingam; Du, Yahe; Sum, Amadeu Kun Wan

    1997-01-01

    Discussed is a process for preventing clathrate hydrate masses from detrimentally impeding the possible flow of a fluid susceptible to clathrate hydrate formation. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member, six member and/or seven member cyclic chemical groupings. Additives include polymers having lactam rings. Additives can also contain polyelectrolytes that are believed to improve conformance of polymer additives through steric hinderance and/or charge repulsion. Also, polymers having an amide on which a C.sub.1 -C.sub.4 group is attached to the nitrogen and/or the carbonyl carbon of the amide may be used alone, or in combination with ring-containing polymers for enhanced effectiveness. Polymers having at least some repeating units representative of polymerizing at least one of an oxazoline, an N-substituted acrylamide and an N-vinyl alkyl amide are preferred.

  10. Desalination utilizing clathrate hydrates (LDRD final report).

    SciTech Connect (OSTI)

    Simmons, Blake Alexander; Bradshaw, Robert W.; Dedrick, Daniel E.; Cygan, Randall Timothy; Greathouse, Jeffery A.; Majzoub, Eric H.

    2008-01-01

    Advances are reported in several aspects of clathrate hydrate desalination fundamentals necessary to develop an economical means to produce municipal quantities of potable water from seawater or brackish feedstock. These aspects include the following, (1) advances in defining the most promising systems design based on new types of hydrate guest molecules, (2) selection of optimal multi-phase reactors and separation arrangements, and, (3) applicability of an inert heat exchange fluid to moderate hydrate growth, control the morphology of the solid hydrate material formed, and facilitate separation of hydrate solids from concentrated brine. The rate of R141b hydrate formation was determined and found to depend only on the degree of supercooling. The rate of R141b hydrate formation in the presence of a heat exchange fluid depended on the degree of supercooling according to the same rate equation as pure R141b with secondary dependence on salinity. Experiments demonstrated that a perfluorocarbon heat exchange fluid assisted separation of R141b hydrates from brine. Preliminary experiments using the guest species, difluoromethane, showed that hydrate formation rates were substantial at temperatures up to at least 12 C and demonstrated partial separation of water from brine. We present a detailed molecular picture of the structure and dynamics of R141b guest molecules within water cages, obtained from ab initio calculations, molecular dynamics simulations, and Raman spectroscopy. Density functional theory calculations were used to provide an energetic and molecular orbital description of R141b stability in both large and small cages in a structure II hydrate. Additionally, the hydrate of an isomer, 1,2-dichloro-1-fluoroethane, does not form at ambient conditions because of extensive overlap of electron density between guest and host. Classical molecular dynamics simulations and laboratory trials support the results for the isomer hydrate. Molecular dynamics simulations

  11. Hydrate detection

    SciTech Connect (OSTI)

    Dillon, W.P.; Ahlbrandt, T.S.

    1992-06-01

    Project objectives were: (1) to create methods of analyzing gas hydrates in natural sea-floor sediments, using available data, (2) to make estimates of the amount of gas hydrates in marine sediments, (3) to map the distribution of hydrates, (4) to relate concentrations of gas hydrates to natural processes and infer the factors that control hydrate concentration or that result in loss of hydrate from the sea floor. (VC)

  12. Hydrate detection

    SciTech Connect (OSTI)

    Dillon, W.P.; Ahlbrandt, T.S.

    1992-01-01

    Project objectives were: (1) to create methods of analyzing gas hydrates in natural sea-floor sediments, using available data, (2) to make estimates of the amount of gas hydrates in marine sediments, (3) to map the distribution of hydrates, (4) to relate concentrations of gas hydrates to natural processes and infer the factors that control hydrate concentration or that result in loss of hydrate from the sea floor. (VC)

  13. Some thermodynamical aspects of protein hydration water

    SciTech Connect (OSTI)

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Vasi, Sebastiano; Vasi, Cirino; Stanley, H. Eugene; Chen, Sow-Hsin

    2015-06-07

    We study by means of nuclear magnetic resonance the self-diffusion of protein hydration water at different hydration levels across a large temperature range that includes the deeply supercooled regime. Starting with a single hydration shell (h = 0.3), we consider different hydrations up to h = 0.65. Our experimental evidence indicates that two phenomena play a significant role in the dynamics of protein hydration water: (i) the measured fragile-to-strong dynamic crossover temperature is unaffected by the hydration level and (ii) the first hydration shell remains liquid at all hydrations, even at the lowest temperature.

  14. Hydration Shell Structure and Dynamics of Curium(III) in Aqueous Solution: First Principles and Empirical Studies

    SciTech Connect (OSTI)

    Atta-Fynn, Raymond; Bylaska, Eric J.; Schenter, Gregory K.; De Jong, Wibe A.

    2011-05-12

    Results of ab initio molecular dynamics (AIMD), quantum mechanics/molecular mechanics (QM/MM) and classical molecular dynamics (CMD) simulations of Cm3+ in liquid water at a temperature of 300 K are reported. The AIMD simulation was based on the Car-Parrinello MD scheme and GGA-PBE formulation of density functional theory. Two QM/MM simulations were performed by treating Cm3+ and the water molecules in the first shell quantum mechanically using the PBE (QM/MM-PBE) and the hybrid PBE0 density functionals (QM/MM-PBE0). Two CMD simulations were carried out using ab initio derived pair plus three-body potentials (CMD-3B) and empirical Lennard-Jones pair potential (CMD-LJ). The AIMD and QM/MM-PBE simulations predict average first shell hydration numbers of 8, both of which disagree with recent experimental EXAFS and TRLFS value of 9. On the other hand, the average first shell hydration numbers obtained in the QM/MM-PBE0 and CMD simulations was 9, which agrees with experiment. All the simulations predicted a average first shell and second shell Cm-O bond distances of 2.49-2.53 Å and 4.67-4.75 Å respectively, both of which are in fair agreement with corresponding experimental values of 2.45-2.48 Å and 4.65 Å. The average geometric arrangement of the eight-fold and nine-fold coordinated first shell structures corresponded to the square anti-prism and tricapped trigonal prisms respectively. The second shell hydration number for AIMD QM/MM-PBE, QM/MM-PBE0, CMD-3B, and CMD-LJ, were 15.8, 17.2, 17.7, 17.4, and 16.4 respectively, which indicates second hydration shell over-coordination compared to recent EXAFS experimental value of 13. Save the EXAFS spectra CMD-LJ simulation, all the computed EXAFS spectra agree fairly well with experiment and a clear distinction could not be made between configurations with 8-fold and 9-fold coordinated first shells. The mechanisms responsible for the first shell associative and dissociative ligand exchange in the classical simulations

  15. Pressurized subsampling system for pressured gas-hydrate-bearing sediment: Microscale imaging using X-ray computed tomography

    SciTech Connect (OSTI)

    Jin, Yusuke Konno, Yoshihiro; Nagao, Jiro

    2014-09-01

    A pressurized subsampling system was developed for pressured gas hydrate (GH)-bearing sediments, which have been stored under pressure. The system subsamples small amounts of GH sediments from cores (approximately 50 mm in diameter and 300 mm in height) without pressure release to atmospheric conditions. The maximum size of the subsamples is 12.5 mm in diameter and 20 mm in height. Moreover, our system transfers the subsample into a pressure vessel, and seals the pressure vessel by screwing in a plug under hydraulic pressure conditions. In this study, we demonstrated pressurized subsampling from artificial xenon-hydrate sediments and nondestructive microscale imaging of the subsample, using a microfocus X-ray computed tomography (CT) system. In addition, we estimated porosity and hydrate saturation from two-dimensional X-ray CT images of the subsamples.

  16. Methane Hydrates

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

    Methane Hydrates 2016 Methane Hydrates Funding Opportunity Announcement The objective of this Funding Opportunity Announcement is to select projects in FY16 that will further ongoing programmatic efforts to characterize naturally occurring gas hydrate deposits as well as their role in the natural environment and that will: Support fundamental laboratory and numerical simulation studies of gas hydrate reservoir response to potential production activities Support fundamental field, laboratory and

  17. Effect of bound state of water on hydronium ion mobility in hydrated Nafion using molecular dynamics simulations

    SciTech Connect (OSTI)

    Mabuchi, Takuya; Tokumasu, Takashi

    2014-09-14

    We have performed a detailed analysis of the structural properties of the sulfonate groups in terms of isolated and overlapped solvation shells in the nanostructure of hydrated Nafion membrane using classical molecular dynamics simulations. Our simulations have demonstrated the correlation between the two different areas in bound water region, i.e., the first solvation shell, and the vehicular transport of hydronium ions at different water contents. We have employed a model of the Nafion membrane using the improved force field, which is newly modified and validated by comparing the density and water diffusivity with those obtained experimentally. The first solvation shells were classified into the two types, the isolated area and the overlapped area. The mean residence times of solvent molecules explicitly showed the different behaviors in each of those areas in terms of the vehicular transport of protons: the diffusivity of classical hydronium ions in the overlapped area dominates their total diffusion at lower water contents while that in the isolated area dominates for their diffusion at higher water contents. The results provided insights into the importance role of those areas in the solvation shells for the diffusivity of vehicular transport of hydronium ions in hydrated Nafion membrane.

  18. The HD molecule in small and medium cages of clathrate hydrates: Quantum dynamics studied by neutron scattering measurements and computation

    SciTech Connect (OSTI)

    Colognesi, Daniele; Celli, Milva; Ulivi, Lorenzo; Powers, Anna; Xu, Minzhong; Bačić, Zlatko

    2014-10-07

    We report inelastic neutron scattering (INS) measurements on molecular hydrogen deuteride (HD) trapped in binary cubic (sII) and hexagonal (sH) clathrate hydrates, performed at low temperature using two different neutron spectrometers in order to probe both energy and momentum transfer. The INS spectra of binary clathrate samples exhibit a rich structure containing sharp bands arising from both the rotational transitions and the rattling modes of the guest molecule. For the clathrates with sII structure, there is a very good agreement with the rigorous fully quantum simulations which account for the subtle effects of the anisotropy, angular and radial, of the host cage on the HD microscopic dynamics. The sH clathrate sample presents a much greater challenge, due to the uncertainties regarding the crystal structure, which is known only for similar crystals with different promoter, but nor for HD (or H{sub 2}) plus methyl tert-butyl ether (MTBE-d12)

  19. Dynamic Information Architecture System

    Energy Science and Technology Software Center (OSTI)

    1997-02-12

    The Dynamic Information System (DIAS) is a flexible object-based software framework for concurrent, multidiscplinary modeling of arbitrary (but related) processes. These processes are modeled as interrelated actions caused by and affecting the collection of diverse real-world objects represented in a simulation. The DIAS architecture allows independent process models to work together harmoniously in the same frame of reference and provides a wide range of data ingestion and output capabilities, including Geographic Information System (GIS) typemore » map-based displays and photorealistic visualization of simulations in progress. In the DIAS implementation of the object-based approach, software objects carry within them not only the data which describe their static characteristics, but also the methods, or functions, which describe their dynamic behaviors. There are two categories of objects: (1) Entity objects which have real-world counterparts and are the actors in a simulation, and (2) Software infrastructure objects which make it possible to carry out the simulations. The Entity objects contain lists of Aspect objects, each of which addresses a single aspect of the Entity''s behavior. For example, a DIAS Stream Entity representing a section of a river can have many aspects correspondimg to its behavior in terms of hydrology (as a drainage system component), navigation (as a link in a waterborne transportation system), meteorology (in terms of moisture, heat, and momentum exchange with the atmospheric boundary layer), and visualization (for photorealistic visualization or map type displays), etc. This makes it possible for each real-world object to exhibit any or all of its unique behaviors within the context of a single simulation.« less

  20. CONTENTS Gas Hydrate-Bearing Sand

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

    CONTENTS Gas Hydrate-Bearing Sand Reservoir Systems in the Offshore of India: Results of the India National Gas Hydrate Program Expedition 02 ..............1 The Potential for Abiotic Methane in Arctic Gas Hydrates .................9 Coupled Thermo-Hydro-Chemo- Mechanical (THCM) Models for Hydrate-Bearing Sediments ....13 Emerging Issues in the Development of Geologic Models for Gas Hydrate Numerical Simulation ................19 Announcements ...................... 23 * DOE/NETL FY2016 Methane

  1. Entanglement dynamics in chaotic systems

    SciTech Connect (OSTI)

    Ghose, Shohini [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Department of Physics and Astronomy, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Sanders, Barry C. [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Centre for Quantum Computer Technology, Macquarie University, Sydney, New South Wales (Australia)

    2004-12-01

    We study quantum chaos for systems with more than one degree of freedom, for which we present an analysis of the dynamics of entanglement. Our analysis explains the main features of entanglement dynamics and identifies entanglement-based signatures of quantum chaos. We discuss entanglement dynamics for a feasible experiment involving an atom in a magneto-optical trap and compare the results with entanglement dynamics for the well-studied quantum kicked top.

  2. Diesel NOx-PM Reduction with Fuel Economy Increase by IMET-OBC-DPF + Hydrated-EGRŽ System for Retrofit of In-UseŽ Trucks

    Broader source: Energy.gov [DOE]

    Reports on truck fleet emission test results obtained from retrofitting in-useŽ old class-8 trucks with IMETs GreenPower’ DPF-Hydrated-EGR system

  3. Controls on Gas Hydrate Formation and Dissociation

    SciTech Connect (OSTI)

    Miriam Kastner; Ian MacDonald

    2006-03-03

    The main objectives of the project were to monitor, characterize, and quantify in situ the rates of formation and dissociation of methane hydrates at and near the seafloor in the northern Gulf of Mexico, with a focus on the Bush Hill seafloor hydrate mound; to record the linkages between physical and chemical parameters of the deposits over the course of one year, by emphasizing the response of the hydrate mound to temperature and chemical perturbations; and to document the seafloor and water column environmental impacts of hydrate formation and dissociation. For these, monitoring the dynamics of gas hydrate formation and dissociation was required. The objectives were achieved by an integrated field and laboratory scientific study, particularly by monitoring in situ formation and dissociation of the outcropping gas hydrate mound and of the associated gas-rich sediments. In addition to monitoring with the MOSQUITOs, fluid flow rates and temperature, continuously sampling in situ pore fluids for the chemistry, and imaging the hydrate mound, pore fluids from cores, peepers and gas hydrate samples from the mound were as well sampled and analyzed for chemical and isotopic compositions. In order to determine the impact of gas hydrate dissociation and/or methane venting across the seafloor on the ocean and atmosphere, the overlying seawater was sampled and thoroughly analyzed chemically and for methane C isotope ratios. At Bush hill the pore fluid chemistry varies significantly over short distances as well as within some of the specific sites monitored for 440 days, and gas venting is primarily focused. The pore fluid chemistry in the tub-warm and mussel shell fields clearly documented active gas hydrate and authigenic carbonate formation during the monitoring period. The advecting fluid is depleted in sulfate, Ca Mg, and Sr and is rich in methane; at the main vent sites the fluid is methane supersaturated, thus bubble plumes form. The subsurface hydrology exhibits both

  4. System Dynamics Model | NISAC

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

    Dynamics Model content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of...

  5. Hydrate decomposition conditions in the system hydrogen sulfide-methane, and propane

    SciTech Connect (OSTI)

    Schroeter, J.P.; Kobayashi, R.; Hildebrand, H.A.

    1982-12-01

    Experimental hydrate decomposition conditions are presented for 3 different H/sub 2/S-containing mixtures in the temperature region 0 C to 30 C. The 3 mixtures investigated were 4% H/sub 2/S, 7% propane, 89% methane; 12% H/sub 2/S, 7% propane, 81% methane; and 30% H/sub 2/S, 7% propane, 63% methane. Hydrate decomposition pressures and temperatures were obtained for each of these mixtures by observation of the pressure-temperature hysteresis curves associated with formation and decomposition of the hydrate crystals. A repeatable decomposition point was observed in every case, and this was identified as the hydrate point. The results for the 4% H/sub 2/S mixture were used to adjust parameters in a computer model based on the Parrish and Prausnitz statistical thermodynamics method, coupled with the BWRS equation of state. After the parameter adjustment, the computer model predicted the behavior of the 12% H/sub 2/S and the 30% H/sub 2/S mixtures to within 2 C. Experimental data for the 3 mixtures are given.

  6. Dynamic granularity of imaging systems

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

    Geissel, Matthias; Smith, Ian C.; Shores, Jonathon E.; Porter, John L.

    2015-11-04

    Imaging systems that include a specific source, imaging concept, geometry, and detector have unique properties such as signal-to-noise ratio, dynamic range, spatial resolution, distortions, and contrast. Some of these properties are inherently connected, particularly dynamic range and spatial resolution. It must be emphasized that spatial resolution is not a single number but must be seen in the context of dynamic range and consequently is better described by a function or distribution. We introduce the “dynamic granularity” Gdyn as a standardized, objective relation between a detector’s spatial resolution (granularity) and dynamic range for complex imaging systems in a given environment rathermore » than the widely found characterization of detectors such as cameras or films by themselves. We found that this relation can partly be explained through consideration of the signal’s photon statistics, background noise, and detector sensitivity, but a comprehensive description including some unpredictable data such as dust, damages, or an unknown spectral distribution will ultimately have to be based on measurements. Measured dynamic granularities can be objectively used to assess the limits of an imaging system’s performance including all contributing noise sources and to qualify the influence of alternative components within an imaging system. Our article explains the construction criteria to formulate a dynamic granularity and compares measured dynamic granularities for different detectors used in the X-ray backlighting scheme employed at Sandia’s Z-Backlighter facility.« less

  7. Dynamic granularity of imaging systems

    SciTech Connect (OSTI)

    Geissel, Matthias; Smith, Ian C.; Shores, Jonathon E.; Porter, John L.

    2015-11-04

    Imaging systems that include a specific source, imaging concept, geometry, and detector have unique properties such as signal-to-noise ratio, dynamic range, spatial resolution, distortions, and contrast. Some of these properties are inherently connected, particularly dynamic range and spatial resolution. It must be emphasized that spatial resolution is not a single number but must be seen in the context of dynamic range and consequently is better described by a function or distribution. We introduce the “dynamic granularity” Gdyn as a standardized, objective relation between a detector’s spatial resolution (granularity) and dynamic range for complex imaging systems in a given environment rather than the widely found characterization of detectors such as cameras or films by themselves. We found that this relation can partly be explained through consideration of the signal’s photon statistics, background noise, and detector sensitivity, but a comprehensive description including some unpredictable data such as dust, damages, or an unknown spectral distribution will ultimately have to be based on measurements. Measured dynamic granularities can be objectively used to assess the limits of an imaging system’s performance including all contributing noise sources and to qualify the influence of alternative components within an imaging system. Our article explains the construction criteria to formulate a dynamic granularity and compares measured dynamic granularities for different detectors used in the X-ray backlighting scheme employed at Sandia’s Z-Backlighter facility.

  8. Structure and Hydration of Highly-Branched, Monodisperse Phytoglycogen Nanoparticles

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

    Nickels, Jonathan D.; Atkinson, John; Papp-Szabo, Erzsebet; Stanley, Christopher; Diallo, Souleymane O.; Perticaroli, Stefania; Baylis, Benjamin; Mahon, Perry; Ehlers, Georg; Katsaras, John; et al

    2016-01-30

    Phytoglycogen is a naturally occurring polysaccharide nanoparticle made up of extensively branched glucose monomers. It has a number of unusual and advantageous properties, such as high water retention, low viscosity, and high stability in water, which make this biomaterial a promising candidate for a wide variety of applications. For this paper, we have characterized the structure and hydration of aqueous dispersions of phytoglycogen nanoparticles using neutron scattering. Small angle neutron scattering results suggest that the phytoglycogen nanoparticles behave similar to hard sphere colloids and are hydrated by a large number of water molecules (each nanoparticle contains between 250% and 285%more » of its mass in water). This suggests that phytoglycogen is an ideal sample in which to study the dynamics of hydration water. To this end, we used quasielastic neutron scattering (QENS) to provide an independent and consistent measure of the hydration number, and to estimate the retardation factor (or degree of water slow-down) for hydration water translational motions. These data demonstrate a length-scale dependence in the measured retardation factors that clarifies the origin of discrepancies between retardation factor values reported for hydration water using different experimental techniques. Finally, the present approach can be generalized to other systems containing nanoconfined water.« less

  9. Dynamically reconfigurable photovoltaic system

    DOE Patents [OSTI]

    Okandan, Murat; Nielson, Gregory N.

    2016-05-31

    A PV system composed of sub-arrays, each having a group of PV cells that are electrically connected to each other. A power management circuit for each sub-array has a communications interface and serves to connect or disconnect the sub-array to a programmable power grid. The power grid has bus rows and bus columns. A bus management circuit is positioned at a respective junction of a bus column and a bus row and is programmable through its communication interface to connect or disconnect a power path in the grid. As a result, selected sub-arrays are connected by selected power paths to be in parallel so as to produce a low system voltage, and, alternately in series so as to produce a high system voltage that is greater than the low voltage by at least a factor of ten.

  10. Methane Hydrate Program

    Broader source: Energy.gov (indexed) [DOE]

    ... of which aid in the characterization of the geology and hydrate occurrence at the site. ... Laboratories scaled up basin and regional scale models to simulate hydrate ...

  11. Dynamical systems probabilistic risk assessment.

    SciTech Connect (OSTI)

    Denman, Matthew R.; Ames, Arlo Leroy

    2014-03-01

    Probabilistic Risk Assessment (PRA) is the primary tool used to risk-inform nuclear power regulatory and licensing activities. Risk-informed regulations are intended to reduce inherent conservatism in regulatory metrics (e.g., allowable operating conditions and technical specifications) which are built into the regulatory framework by quantifying both the total risk profile as well as the change in the risk profile caused by an event or action (e.g., in-service inspection procedures or power uprates). Dynamical Systems (DS) analysis has been used to understand unintended time-dependent feedbacks in both industrial and organizational settings. In dynamical systems analysis, feedback loops can be characterized and studied as a function of time to describe the changes to the reliability of plant Structures, Systems and Components (SSCs). While DS has been used in many subject areas, some even within the PRA community, it has not been applied toward creating long-time horizon, dynamic PRAs (with time scales ranging between days and decades depending upon the analysis). Understanding slowly developing dynamic effects, such as wear-out, on SSC reliabilities may be instrumental in ensuring a safely and reliably operating nuclear fleet. Improving the estimation of a plant's continuously changing risk profile will allow for more meaningful risk insights, greater stakeholder confidence in risk insights, and increased operational flexibility.

  12. Simulation and sequential dynamical systems

    SciTech Connect (OSTI)

    Mortveit, H.S.; Reidys, C.M.

    1999-06-01

    Computer simulations have a generic structure. Motivated by this the authors present a new class of discrete dynamical systems that captures this structure in a mathematically precise way. This class of systems consists of (1) a loopfree graph {Upsilon} with vertex set {l_brace}1,2,{hor_ellipsis},n{r_brace} where each vertex has a binary state, (2) a vertex labeled set of functions (F{sub i,{Upsilon}}:F{sub 2}{sup n} {yields} F{sub 2}{sup n}){sub i} and (3) a permutation {pi} {element_of} S{sub n}. The function F{sub i,{Upsilon}} updates the state of vertex i as a function of the states of vertex i and its {Upsilon}-neighbors and leaves the states of all other vertices fixed. The permutation {pi} represents the update ordering, i.e., the order in which the functions F{sub i,{Upsilon}} are applied. By composing the functions F{sub i,{Upsilon}} in the order given by {pi} one obtains the dynamical system (equation given in paper), which the authors refer to as a sequential dynamical system, or SDS for short. The authors will present bounds for the number of functionally different systems and for the number of nonisomorphic digraphs {Gamma}[F{sub {Upsilon}},{pi}] that can be obtained by varying the update order and applications of these to specific graphs and graph classes.

  13. In-Situ Sampling and Characterization of Naturally Occurring Marine Methane Hydrate Using the D/V JOIDES Resolution

    SciTech Connect (OSTI)

    Rack, Frank; Bohrmann, Gerhard; Trehu, Anne; Storms, Michael; Schroeder, Derryl

    2002-09-30

    physical and sedimentological properties. Among the most interesting preliminary results are: (1) the discovery that gas hydrates are distributed through a broad depth range within the GHSZ and that different physical and chemical proxies for hydrate distribution and concentration give generally consistent results; (2) evidence for the importance of sediment properties for controlling the migration of fluids in the accretionary complex; (3) geochemical indications that the gas hydrate system at Hydrate Ridge contains significant concentrations of higher order hydrocarbons and that fractionation and mixing signals will provide important constraints on gas hydrate dynamics; and (4) the discovery of very high chlorinity values that extend for at least 10 mbsf near the summit, indicating that hydrate formation here must be very rapid.

  14. Multiple stage multiple filter hydrate store

    DOE Patents [OSTI]

    Bjorkman, H.K. Jr.

    1983-05-31

    An improved hydrate store for a metal halogen battery system is disclosed which employs a multiple stage, multiple filter means for separating the halogen hydrate from the liquid used in forming the hydrate. The filter means is constructed in the form of three separate sections which combine to substantially cover the interior surface of the store container. Exit conduit means is provided in association with the filter means for transmitting liquid passing through the filter means to a hydrate former subsystem. The hydrate former subsystem combines the halogen gas generated during the charging of the battery system with the liquid to form the hydrate in association with the store. Relief valve means is interposed in the exit conduit means for controlling the operation of the separate sections of the filter means, such that the liquid flow through the exit conduit means from each of the separate sections is controlled in a predetermined sequence. The three separate sections of the filter means operate in three discrete stages to provide a substantially uniform liquid flow to the hydrate former subsystem during the charging of the battery system. The separation of the liquid from the hydrate causes an increase in the density of the hydrate by concentrating the hydrate along the filter means. 7 figs.

  15. Multiple stage multiple filter hydrate store

    DOE Patents [OSTI]

    Bjorkman, Jr., Harry K.

    1983-05-31

    An improved hydrate store for a metal halogen battery system is disclosed which employs a multiple stage, multiple filter means or separating the halogen hydrate from the liquid used in forming the hydrate. The filter means is constructed in the form of three separate sections which combine to substantially cover the interior surface of the store container. Exit conduit means is provided in association with the filter means for transmitting liquid passing through the filter means to a hydrate former subsystem. The hydrate former subsystem combines the halogen gas generated during the charging of the battery system with the liquid to form the hydrate in association with the store. Relief valve means is interposed in the exit conduit means for controlling the operation of the separate sections of the filter means, such that the liquid flow through the exit conduit means from each of the separate sections is controlled in a predetermined sequence. The three separate sections of the filter means operate in three discrete stages to provide a substantially uniform liquid flow to the hydrate former subsystem during the charging of the battery system. The separation of the liquid from the hydrate causes an increase in the density of the hydrate by concentrating the hydrate along the filter means.

  16. TOUGH+Hydrate v1.0 User's Manual: A Code for the Simulation of...

    Office of Scientific and Technical Information (OSTI)

    TOUGH+HYDRATE v1.0 is a new code for the simulation of the behavior of hydrate-bearing geologic systems. By solving the coupled equations of mass and heat balance, TOUGH+HYDRATE ...

  17. Videos of Experiments from ORNL Gas Hydrate Research

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

    Gas hydrate research performed by the Environmental Sciences Division utilizes the ORNL Seafloor Process Simulator, the Parr Vessel, the Sapphire Cell, a fiber optic distributed sensing system, and Raman spectroscopy. The group studies carbon sequestration in the ocean, desalination, gas hydrates in the solar system, and nucleation and dissociation kinetics. The videos available at the gas hydrates website are very short clips from experiments.

  18. Methane Hydrate | Department of Energy

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

    Methane Hydrate Methane Hydrate Types of Methane Hydrate Deposits Types of Methane Hydrate Deposits Methane hydrate is a cage-like lattice of ice inside of which are trapped molecules of methane, the chief constituent of natural gas. If methane hydrate is either warmed or depressurized, it will revert back to water and natural gas. When brought to the earth's surface, one cubic meter of gas hydrate releases 164 cubic meters of natural gas. Hydrate deposits may be several hundred meters thick and

  19. Increasing Gas Hydrate Formation Temperature for Desalination of High Salinity Produced Water with Secondary Guests

    SciTech Connect (OSTI)

    Cha, Jong-Ho; Seol, Yongkoo

    2013-10-07

    We suggest a new gas hydrate-based desalination process using water-immiscible hydrate formers; cyclopentane (CP) and cyclohexane (CH) as secondary hydrate guests to alleviate temperature requirements for hydrate formation. The hydrate formation reactions were carried out in an isobaric condition of 3.1 MPa to find the upper temperature limit of CO2 hydrate formation. Simulated produced water (8.95 wt % salinity) mixed with the hydrate formers shows an increased upper temperature limit from -2 °C for simple CO2 hydrate to 16 and 7 °C for double (CO2 + CP) and (CO2 + CH) hydrates, respectively. The resulting conversion rate to double hydrate turned out to be similar to that with simple CO2 hydrate at the upper temperature limit. Hydrate formation rates (Rf) for the double hydrates with CP and CH are shown to be 22 and 16 times higher, respectively, than that of the simple CO2 hydrate at the upper temperature limit. Such mild hydrate formation temperature and fast formation kinetics indicate increased energy efficiency of the double hydrate system for the desalination process. Dissociated water from the hydrates shows greater than 90% salt removal efficiency for the hydrates with the secondary guests, which is also improved from about 70% salt removal efficiency for the simple hydrates.

  20. The effect of reservoir heterogeneity on gas production from hydrate accumulations in the permafrost

    SciTech Connect (OSTI)

    Reagan, M. T.; Kowalsky, M B.; Moridis, G. J.; Silpngarmlert, S.

    2010-05-01

    The quantity of hydrocarbon gases trapped in natural hydrate accumulations is enormous, leading to significant interest in the evaluation of their potential as an energy source. Large volumes of gas can be readily produced at high rates for long times from methane hydrate accumulations in the permafrost by means of depressurization-induced dissociation combined with conventional technologies and horizontal or vertical well configurations. Initial studies on the possibility of natural gas production from permafrost hydrates assumed homogeneity in intrinsic reservoir properties and in the initial condition of the hydrate-bearing layers (either due to the coarseness of the model or due to simplifications in the definition of the system). These results showed great promise for gas recovery from Class 1, 2, and 3 systems in the permafrost. This work examines the consequences of inevitable heterogeneity in intrinsic properties, such as in the porosity of the hydrate-bearing formation, or heterogeneity in the initial state of hydrate saturation. Heterogeneous configurations are generated through multiple methods: (1) through defining heterogeneous layers via existing well-log data, (2) through randomized initialization of reservoir properties and initial conditions, and (3) through the use of geostatistical methods to create heterogeneous fields that extrapolate from the limited data available from cores and well-log data. These extrapolations use available information and established geophysical methods to capture a range of deposit properties and hydrate configurations. The results show that some forms of heterogeneity, such as horizontal stratification, can assist in production of hydrate-derived gas. However, more heterogeneous structures can lead to complex physical behavior within the deposit and near the wellbore that may obstruct the flow of fluids to the well, necessitating revised production strategies. The need for fine discretization is crucial in all cases to

  1. Methane Hydrate Field Program

    SciTech Connect (OSTI)

    2013-12-31

    This final report document summarizes the activities undertaken and the output from three primary deliverables generated during this project. This fifteen month effort comprised numerous key steps including the creation of an international methane hydrate science team, determining and reporting the current state of marine methane hydrate research, convening an international workshop to collect the ideas needed to write a comprehensive Marine Methane Hydrate Field Research Plan and the development and publication of that plan. The following documents represent the primary deliverables of this project and are discussed in summary level detail in this final report. • Historical Methane Hydrate Project Review Report • Methane Hydrate Workshop Report • Topical Report: Marine Methane Hydrate Field Research Plan • Final Scientific/Technical Report

  2. Methane Hydrate Program

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

    FY 2011 Methane Hydrate Program Report to Congress July 2012 United States Department of Energy Washington, DC 20585 Department of Energy | July 2012 FY 2011 Methane Hydrate Program Report to Congress | Page ii Message from the Secretary Section 968 of the Energy Policy Act of 2005 requires the Department of Energy to submit to Congress an annual report on the results of methane hydrate research. I am pleased to submit the enclosed report entitled U.S. Department of Energy FY 2011 Methane

  3. Methane Hydrate Field Studies

    Broader source: Energy.gov [DOE]

    Since 2001, DOE has conducted field trials of exploration and production technology in the Alaska North Slope. Although Alaska methane hydrate resources are smaller than marine deposits and...

  4. CONTENTS Concentrated Gas Hydrate

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

    ... Schoderbek, D., Martin, K., Howard, J., Silpngarmlert, S., and Hester, K., 2012. North Slope hydrate field trial: CO 2 -CH 4 exchange. Paper OTC-23725, presented at Offshore ...

  5. SIAM conference on applications of dynamical systems

    SciTech Connect (OSTI)

    Not Available

    1992-01-01

    A conference (Oct.15--19, 1992, Snowbird, Utah; sponsored by SIAM (Society for Industrial and Applied Mathematics) Activity Group on Dynamical Systems) was held that highlighted recent developments in applied dynamical systems. The main lectures and minisymposia covered theory about chaotic motion, applications in high energy physics and heart fibrillations, turbulent motion, Henon map and attractor, integrable problems in classical physics, pattern formation in chemical reactions, etc. The conference fostered an exchange between mathematicians working on theoretical issues of modern dynamical systems and applied scientists. This two-part document contains abstracts, conference program, and an author index.

  6. Parallel Implementation of Power System Dynamic Simulation

    SciTech Connect (OSTI)

    Jin, Shuangshuang; Huang, Zhenyu; Diao, Ruisheng; Wu, Di; Chen, Yousu

    2013-07-21

    Dynamic simulation of power system transient stability is important for planning, monitoring, operation, and control of electrical power systems. However, modeling the system dynamics and network involves the computationally intensive time-domain solution of numerous differential and algebraic equations (DAE). This results in a transient stability implementation that may not maintain the real-time constraints of an online security assessment. This paper presents a parallel implementation of the dynamic simulation on a high-performance computing (HPC) platform using parallel simulation algorithms and computation architectures. It enables the simulation to run even faster than real time, enabling the look-ahead capability of upcoming stability problems in the power grid.

  7. Dynamics of micelle-nanoparticle systems undergoing shear: a...

    Office of Scientific and Technical Information (OSTI)

    Dynamics of micelle-nanoparticle systems undergoing shear: a coarse-grained molecular dynamics approach Citation Details In-Document Search Title: Dynamics of micelle-nanoparticle ...

  8. Gas Hydrate Storage of Natural Gas

    SciTech Connect (OSTI)

    Rudy Rogers; John Etheridge

    2006-03-31

    Environmental and economic benefits could accrue from a safe, above-ground, natural-gas storage process allowing electric power plants to utilize natural gas for peak load demands; numerous other applications of a gas storage process exist. A laboratory study conducted in 1999 to determine the feasibility of a gas-hydrates storage process looked promising. The subsequent scale-up of the process was designed to preserve important features of the laboratory apparatus: (1) symmetry of hydrate accumulation, (2) favorable surface area to volume ratio, (3) heat exchanger surfaces serving as hydrate adsorption surfaces, (4) refrigeration system to remove heat liberated from bulk hydrate formation, (5) rapid hydrate formation in a non-stirred system, (6) hydrate self-packing, and (7) heat-exchanger/adsorption plates serving dual purposes to add or extract energy for hydrate formation or decomposition. The hydrate formation/storage/decomposition Proof-of-Concept (POC) pressure vessel and supporting equipment were designed, constructed, and tested. This final report details the design of the scaled POC gas-hydrate storage process, some comments on its fabrication and installation, checkout of the equipment, procedures for conducting the experimental tests, and the test results. The design, construction, and installation of the equipment were on budget target, as was the tests that were subsequently conducted. The budget proposed was met. The primary goal of storing 5000-scf of natural gas in the gas hydrates was exceeded in the final test, as 5289-scf of gas storage was achieved in 54.33 hours. After this 54.33-hour period, as pressure in the formation vessel declined, additional gas went into the hydrates until equilibrium pressure/temperature was reached, so that ultimately more than the 5289-scf storage was achieved. The time required to store the 5000-scf (48.1 hours of operating time) was longer than designed. The lower gas hydrate formation rate is attributed to a

  9. TOUGH-Fx/Hydrate

    Energy Science and Technology Software Center (OSTI)

    2005-02-01

    TOUGH-Fx/HYORATL can model the non-isothermal gas release. phase behavior and flow of fluids and heat in complex geologic media. The code can simulate production from natural gas hydrate deposits in the subsurtace (i.e., in the permafrost and in deep ocean sediments), as well as laboratory experiments of hydrate dissociation/formation in porous/fractured media. T006H-Fx/HYDRATE vi .0 includes both an equilibrium and a kinetic model of hydrate Ibmiation and dissociation. The model accounts for heat and upmore » to four mass components-- i.e., water, CH4, hydrate, and water-soluble inhibitors such as salts or alcohols. These are partitioned among four possible phases (gas phase, liquid phase, ice phase and hydrate phase). Hydrate dIssociation or formation, phase changes, and the corresponding thermal effects are fully described, as are the effects of inhibitors. The model can describe all possible hydrate dissociation mechanisms, i.e., depressurization, thermal stimulation, salting-out effects, and inhibItor-Induced effects.« less

  10. CONTENTS Gas Hydrate Assessment in

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

    ... at the upcoming International Conference on Gas Hydrates, to be held in Beijing, China. ... Proceedings of the 8th International Conference on Gas Hydrates (ICGH8- 2014), Beijing, ...

  11. Detection and Production of Methane Hydrate

    SciTech Connect (OSTI)

    George Hirasaki; Walter Chapman; Gerald Dickens; Colin Zelt; Brandon Dugan; Kishore Mohanty; Priyank Jaiswal

    2011-12-31

    This project seeks to understand regional differences in gas hydrate systems from the perspective of as an energy resource, geohazard, and long-term climate influence. Specifically, the effort will: (1) collect data and conceptual models that targets causes of gas hydrate variance, (2) construct numerical models that explain and predict regional-scale gas hydrate differences in 2-dimensions with minimal 'free parameters', (3) simulate hydrocarbon production from various gas hydrate systems to establish promising resource characteristics, (4) perturb different gas hydrate systems to assess potential impacts of hot fluids on seafloor stability and well stability, and (5) develop geophysical approaches that enable remote quantification of gas hydrate heterogeneities so that they can be characterized with minimal costly drilling. Our integrated program takes advantage of the fact that we have a close working team comprised of experts in distinct disciplines. The expected outcomes of this project are improved exploration and production technology for production of natural gas from methane hydrates and improved safety through understanding of seafloor and well bore stability in the presence of hydrates. The scope of this project was to more fully characterize, understand, and appreciate fundamental differences in the amount and distribution of gas hydrate and how this would affect the production potential of a hydrate accumulation in the marine environment. The effort combines existing information from locations in the ocean that are dominated by low permeability sediments with small amounts of high permeability sediments, one permafrost location where extensive hydrates exist in reservoir quality rocks and other locations deemed by mutual agreement of DOE and Rice to be appropriate. The initial ocean locations were Blake Ridge, Hydrate Ridge, Peru Margin and GOM. The permafrost location was Mallik. Although the ultimate goal of the project was to understand processes

  12. Voltage Quench Dynamics of a Kondo System (Journal Article) ...

    Office of Scientific and Technical Information (OSTI)

    Voltage Quench Dynamics of a Kondo System This content will become publicly available on January 18, 2017 Prev Next Title: Voltage Quench Dynamics of a Kondo System Authors: ...

  13. Comparison and analysis of zinc and cobalt-based systems as catalytic entities for the hydration of carbon dioxide

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

    Lau, E. Y.; Wong, S. E.; Baker, S. E.; Bearinger, J. P.; Koziol, L.; Valdez, C. A.; Satcher, J. H.; Aines, R. D.; Lightstone, F. C.

    2013-06-20

    In nature, the zinc metalloenzyme carbonic anhydrase II (CAII) efficiently catalyzes the conversion of carbon dioxide (CO 2) to bicarbonate under physiological conditions. Efforts have been directed towards the development of small molecule mimetics that can facilitate this process and thus have a beneficial environmental impact, but these efforts have met very limited success. Herein, we undertook quantum mechanical calculations of four mimetics, 1,5,9-triazacyclododedacane, 1,4,7,10-tetraazacyclododedacane, tris(4,5-dimethyl-2-imidazolyl)phosphine, and tris(2-benzimidazolylmethyl)amine, in their complexed form either with the Zn 2+ or the Co 2+ ion and studied their reaction coordinate for CO 2 hydration. These calculations demonstrated that the ability of the complexmore » to maintain a tetrahedral geometry and bind bicarbonate in a unidentate manner were vital for the hydration reaction to proceed favorably. Moreover, these calculations show that the catalytic activity of the examined zinc complexes was insensitive to coordination states for zinc, while coordination states above four were found to have an unfavorable effect on product release for the cobalt counterparts.« less

  14. Comparison and analysis of zinc and cobalt-based systems as catalytic entities for the hydration of carbon dioxide

    SciTech Connect (OSTI)

    Lau, E. Y.; Wong, S. E.; Baker, S. E.; Bearinger, J. P.; Koziol, L.; Valdez, C. A.; Satcher, J. H.; Aines, R. D.; Lightstone, F. C.

    2013-06-20

    In nature, the zinc metalloenzyme carbonic anhydrase II (CAII) efficiently catalyzes the conversion of carbon dioxide (CO 2) to bicarbonate under physiological conditions. Efforts have been directed towards the development of small molecule mimetics that can facilitate this process and thus have a beneficial environmental impact, but these efforts have met very limited success. Herein, we undertook quantum mechanical calculations of four mimetics, 1,5,9-triazacyclododedacane, 1,4,7,10-tetraazacyclododedacane, tris(4,5-dimethyl-2-imidazolyl)phosphine, and tris(2-benzimidazolylmethyl)amine, in their complexed form either with the Zn 2+ or the Co 2+ ion and studied their reaction coordinate for CO 2 hydration. These calculations demonstrated that the ability of the complex to maintain a tetrahedral geometry and bind bicarbonate in a unidentate manner were vital for the hydration reaction to proceed favorably. Moreover, these calculations show that the catalytic activity of the examined zinc complexes was insensitive to coordination states for zinc, while coordination states above four were found to have an unfavorable effect on product release for the cobalt counterparts.

  15. Reaction dynamics in polyatomic molecular systems

    SciTech Connect (OSTI)

    Miller, W.H.

    1993-12-01

    The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

  16. Energy efficiency of a dynamic glazing system

    SciTech Connect (OSTI)

    Lollini, R.; Danza, L.; Meroni, I.

    2010-04-15

    The reduction of air-conditioning energy consumptions is one of the main indicators to act on when improving the energy efficiency in buildings. In the case of advanced technological buildings, a meaningful contribution to the thermal loads and the energy consumptions reduction could depend on the correct configuration and management of the envelope systems. In recent years, the architectural trend toward highly transparent all-glass buildings presents a unique challenge and opportunity to advance the market for emerging, smart, dynamic window and dimmable daylighting control technologies (). A prototype dynamic glazing system was developed and tested at ITC-CNR; it is aimed at actively responding to the external environmental loads. Both an experimental campaign and analyses by theoretical models were carried out, aimed at evaluating the possible configurations depending on different weather conditions in several possible places. Therefore, the analytical models of the building-plant system were defined by using a dynamic energy simulation software (EnergyPlus). The variables that determine the system performance, also influenced by the boundary conditions, were analysed, such as U- and g-value; they concern both the morphology of the envelope system, such as dimensions, shading and glazing type, gap airflow thickness, in-gap airflow rate, and management, in terms of control algorithm parameters tuning fan and shading systems, as a function of the weather conditions. The configuration able to provide the best performances was finally identified by also assessing such performances, integrating the dynamic system in several building types and under different weather conditions. The dynamic envelope system prototype has become a commercial product with some applications in facade systems, curtain walls and windows. The paper describes the methodological approach to prototype development and the main results obtained, including simulations of possible applications on

  17. Very Large System Dynamics Models - Lessons Learned

    SciTech Connect (OSTI)

    Jacob J. Jacobson; Leonard Malczynski

    2008-10-01

    This paper provides lessons learned from developing several large system dynamics (SD) models. System dynamics modeling practice emphasize the need to keep models small so that they are manageable and understandable. This practice is generally reasonable and prudent; however, there are times that large SD models are necessary. This paper outlines two large SD projects that were done at two Department of Energy National Laboratories, the Idaho National Laboratory and Sandia National Laboratories. This paper summarizes the models and then discusses some of the valuable lessons learned during these two modeling efforts.

  18. Effect of under-inhibition with methanol and ethylene glycol on the hydrate control process

    SciTech Connect (OSTI)

    Yousif, M.H.

    1996-12-31

    Hydrate control can be achieved by chemical injection. Currently, methanol and ethylene glycol are the most widely used inhibitors in offshore hydrate control operations. To achieve effective hydrate inhibition, a sufficient amount of inhibitor must be injected to shift the thermodynamic equilibrium condition for hydrate formation outside the pipeline operating pressure and temperature. Recently published field experiments showed that hydrate blockages form more readily in under-inhibited systems than in systems completely without inhibitor. A laboratory study is conducted to determine the effect of low concentration (1--5wt%) methanol and ethylene glycol on the hydrate formation process. The results show that, although these chemicals are effective hydrate inhibitors when added in sufficient quantities, they actually enhance the rate of hydrate formation when added at low concentrations to the water. Furthermore, the presence of these chemicals seems to affect the size of the forming hydrate particles.

  19. Dynamic Impregnator Reactor System (Poster), NREL (National Renewable...

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

    Dynamic Impregnator Reactor System Multifaceted system designed for complex feedstock impregnation and processing Integrated Biorefi nery Research Facility | NREL * Golden, ...

  20. Methane Hydrate Advisory Committee Meeting Minutes | Department...

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

    Methane Hydrate Advisory Committee Meeting Minutes Methane Hydrate Advisory Committee Meeting Minutes Methane Hydrate Advisory Committee Meeting Minutes May 15, 2014 Washington, DC...

  1. Methane Hydrate Program Reports | Department of Energy

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

    Program Reports Methane Hydrate Program Reports PDF icon Secretary of Energy Advisory Board Task Force Report on Methane Hydrate PDF icon FY14 Methane Hydrate Report to Congress ...

  2. A dynamically reconfigurable data stream processing system

    SciTech Connect (OSTI)

    Nogiec, J.M.; Trombly-Freytag, K.; /Fermilab

    2004-11-01

    This paper describes a component-based framework for data stream processing that allows for configuration, tailoring, and runtime system reconfiguration. The system's architecture is based on a pipes and filters pattern, where data is passed through routes between components. A network of pipes and filters can be dynamically reconfigured in response to a preplanned sequence of processing steps, operator intervention, or a change in one or more data streams. This framework provides several mechanisms supporting dynamic reconfiguration and can be used to build static data stream processing applications such as monitoring or data acquisition systems, as well as self-adjusting systems that can adapt their processing algorithm, presentation layer, or data persistency layer in response to changes in input data streams.

  3. Design tools for complex dynamic security systems.

    SciTech Connect (OSTI)

    Byrne, Raymond Harry; Rigdon, James Brian; Rohrer, Brandon Robinson; Laguna, Glenn A.; Robinett, Rush D. III; Groom, Kenneth Neal; Wilson, David Gerald; Bickerstaff, Robert J.; Harrington, John J.

    2007-01-01

    The development of tools for complex dynamic security systems is not a straight forward engineering task but, rather, a scientific task where discovery of new scientific principles and math is necessary. For years, scientists have observed complex behavior but have had difficulty understanding it. Prominent examples include: insect colony organization, the stock market, molecular interactions, fractals, and emergent behavior. Engineering such systems will be an even greater challenge. This report explores four tools for engineered complex dynamic security systems: Partially Observable Markov Decision Process, Percolation Theory, Graph Theory, and Exergy/Entropy Theory. Additionally, enabling hardware technology for next generation security systems are described: a 100 node wireless sensor network, unmanned ground vehicle and unmanned aerial vehicle.

  4. Induced topological pressure for topological dynamical systems

    SciTech Connect (OSTI)

    Xing, Zhitao; Chen, Ercai

    2015-02-15

    In this paper, inspired by the article [J. Jaerisch et al., Stochastics Dyn. 14, 1350016, pp. 1-30 (2014)], we introduce the induced topological pressure for a topological dynamical system. In particular, we prove a variational principle for the induced topological pressure.

  5. Final Report Computational Analysis of Dynamical Systems

    SciTech Connect (OSTI)

    Guckenheimer, John

    2012-05-08

    This is the final report for DOE Grant DE-FG02-93ER25164, initiated in 1993. This grant supported research of John Guckenheimer on computational analysis of dynamical systems. During that period, seventeen individuals received PhD degrees under the supervision of Guckenheimer and over fifty publications related to the grant were produced. This document contains copies of these publications.

  6. Mechanisms Leading to Co-Existence of Gas Hydrate in Ocean Sediments [Part 2 of 2

    SciTech Connect (OSTI)

    Bryant, Steven; Juanes, Ruben

    2011-12-31

    saturations. Large volumes (of order one pore volume) of gaseous and aqueous phases must be transported into the gas hydrate stability zone. The driver for this transport is the pressure sink induced by a reduction in occupied pore volume that accompanies the formation of hydrate from gas and water. Pore-scale imbibition models and bed-scale multiphase flow models indicate that the rate-limiting step in converting gas to hydrate is the supply of water to the hydrate stability zone. Moreover, the water supply rate is controlled by capillarity-driven flux for conditions typical of the Alaska North Slope. A meter-scale laboratory experiment confirms that significant volumes of fluid phases move into the hydrate stability zone and that capillarity is essential for the water flux. The model shows that without capillarity-driven flux, large saturations of hydrate cannot form. The observations of thick zones of large saturation at Mallik and Mt Elbert thus suggest that the primary control on these systems is the rate of transport of gaseous and aqueous phases, driven by the pressure sink at the base of the gas hydrate stability zone. A key finding of our project is the elucidation of ?capillary fracturing? as a dominant gas transport mechanism in low-permeability media. We initially investigate this phenomenon by means of grain-scale simulations in which we extended a discrete element mechanics code (PFC, by Itasca) to incorporate the dynamics of first singlephase and then multiphase flow. A reductionist model on a square lattice allows us to determine some of the fundamental dependencies of the mode of gas invasion (capillary fingering, viscous fingering, and fracturing) on the parameters of the system. We then show that the morphology of the gas-invaded region exerts a fundamental control on the fabric of methane hydrate formation, and on the overpressures caused by methane hydrate dissociation. We demonstrate the existence of the different invasion regimes by means of controlled

  7. Mechanisms Leading to Co-Existence of Gas Hydrate in Ocean Sediments [Part 1 of 2

    SciTech Connect (OSTI)

    Bryant, Steven; Juanes, Ruben

    2011-12-31

    saturations. Large volumes (of order one pore volume) of gaseous and aqueous phases must be transported into the gas hydrate stability zone. The driver for this transport is the pressure sink induced by a reduction in occupied pore volume that accompanies the formation of hydrate from gas and water. Pore-scale imbibition models and bed-scale multiphase flow models indicate that the rate-limiting step in converting gas to hydrate is the supply of water to the hydrate stability zone. Moreover, the water supply rate is controlled by capillarity-driven flux for conditions typical of the Alaska North Slope. A meter-scale laboratory experiment confirms that significant volumes of fluid phases move into the hydrate stability zone and that capillarity is essential for the water flux. The model shows that without capillarity-driven flux, large saturations of hydrate cannot form. The observations of thick zones of large saturation at Mallik and Mt Elbert thus suggest that the primary control on these systems is the rate of transport of gaseous and aqueous phases, driven by the pressure sink at the base of the gas hydrate stability zone. A key finding of our project is the elucidation of ?capillary fracturing? as a dominant gas transport mechanism in low-permeability media. We initially investigate this phenomenon by means of grain-scale simulations in which we extended a discrete element mechanics code (PFC, by Itasca) to incorporate the dynamics of first single-phase and then multiphase flow. A reductionist model on a square lattice allows us to determine some of the fundamental dependencies of the mode of gas invasion (capillary fingering, viscous fingering, and fracturing) on the parameters of the system. We then show that the morphology of the gas-invaded region exerts a fundamental control on the fabric of methane hydrate formation, and on the overpressures caused by methane hydrate dissociation. We demonstrate the existence of the different invasion regimes by means of controlled

  8. On sequential dynamical systems and simulation

    SciTech Connect (OSTI)

    Barrett, C.L.; Mortveit, H.S.; Reidys, C.M.

    1999-06-01

    The generic structure of computer simulations motivates a new class of discrete dynamical systems that captures this structure in a mathematically precise way. This class of systems consists of (1) a loopfree graph {Upsilon} with vertex set {l_brace}1,2,{hor_ellipsis},n{r_brace} where each vertex has a binary state, (2) a vertex labeled set of functions (F{sub i,{Upsilon}}:F{sub 2}{sup n} {r_arrow} F{sub 2}{sup n}){sub i} and (3) a permutation {pi} {element_of} S{sub n}. The function F{sub i,{Upsilon}} updates the state of vertex i as a function of the states of vertex i and its {Upsilon}-neighbors and leaves the states of all other vertices fixed. The permutation {pi} represents the update ordering, i.e., the order in which the functions F{sub i,{Upsilon}} are applied. By composing the functions F{sub i,{Upsilon}} in the order given by {pi} one obtains the dynamical system (equation given in paper) which the authors refer to as a sequential dynamical system, or SDS for short. The authors will present bounds for the number of functionally different systems and for the number of nonisomorphic digraphs {Gamma}[F{sub {Upsilon}},{pi}] that can be obtained by varying the update order and applications of these to specific graphs and graph classes. This will be done using both combinatorial/algebraic techniques and probabilistic techniques. Finally the authors give results on dynamical system properties for some special systems.

  9. Dynamic graph system for a semantic database

    DOE Patents [OSTI]

    Mizell, David

    2015-01-27

    A method and system in a computer system for dynamically providing a graphical representation of a data store of entries via a matrix interface is disclosed. A dynamic graph system provides a matrix interface that exposes to an application program a graphical representation of data stored in a data store such as a semantic database storing triples. To the application program, the matrix interface represents the graph as a sparse adjacency matrix that is stored in compressed form. Each entry of the data store is considered to represent a link between nodes of the graph. Each entry has a first field and a second field identifying the nodes connected by the link and a third field with a value for the link that connects the identified nodes. The first, second, and third fields represent the rows, column, and elements of the adjacency matrix.

  10. Dynamic graph system for a semantic database

    DOE Patents [OSTI]

    Mizell, David

    2016-04-12

    A method and system in a computer system for dynamically providing a graphical representation of a data store of entries via a matrix interface is disclosed. A dynamic graph system provides a matrix interface that exposes to an application program a graphical representation of data stored in a data store such as a semantic database storing triples. To the application program, the matrix interface represents the graph as a sparse adjacency matrix that is stored in compressed form. Each entry of the data store is considered to represent a link between nodes of the graph. Each entry has a first field and a second field identifying the nodes connected by the link and a third field with a value for the link that connects the identified nodes. The first, second, and third fields represent the rows, column, and elements of the adjacency matrix.

  11. The dynamical crossover in attractive colloidal systems

    SciTech Connect (OSTI)

    Mallamace, Francesco; Corsaro, Carmelo; Stanley, H. Eugene; Mallamace, Domenico; Chen, Sow-Hsin

    2013-12-07

    We study the dynamical arrest in an adhesive hard-sphere colloidal system. We examine a micellar suspension of the Pluronic-L64 surfactant in the temperature (T) and volume fraction (ϕ) phase diagram. According to mode-coupling theory (MCT), this system is characterized by a cusp-like singularity and two glassy phases: an attractive glass (AG) phase and a repulsive glass (RG) phase. The T − ϕ phase diagram of this system as confirmed by a previous series of scattering data also exhibits a Percolation Threshold (PT) line, a reentrant behavior (AG-liquid-RG), and a glass-to-glass transition. The AG phase can be generated out of the liquid phase by using T and ϕ as control parameters. We utilize viscosity and nuclear magnetic resonance (NMR) techniques. NMR data confirm all the characteristic properties of the colloidal system phase diagram and give evidence of the onset of a fractal-like percolating structure at a precise threshold. The MCT scaling laws used to study the shear viscosity as a function of ϕ and T show in both cases a fragile-to-strong liquid glass-forming dynamic crossover (FSC) located near the percolation threshold where the clustering process is fully developed. These results suggest a larger thermodynamic generality for this phenomenon, which is usually studied only as a function of the temperature. We also find that the critical values of the control parameters, coincident with the PT line, define the locus of the FSC. In the region between the FSC and the glass transition lines the system dynamics are dominated by clustering effects. We thus demonstrate that it is possible, using the conceptual framework provided by extended mode-coupling theory, to describe the way a system approaches dynamic arrest, taking into account both cage and hopping effects.

  12. Fuel cell membrane hydration and fluid metering

    DOE Patents [OSTI]

    Jones, Daniel O.; Walsh, Michael M.

    1999-01-01

    A hydration system includes fuel cell fluid flow plate(s) and injection port(s). Each plate has flow channel(s) with respective inlet(s) for receiving respective portion(s) of a given stream of reactant fluid for a fuel cell. Each injection port injects a portion of liquid water directly into its respective flow channel in order to mix its respective portion of liquid water with the corresponding portion of the stream. This serves to hydrate at least corresponding part(s) of a given membrane of the corresponding fuel cell(s). The hydration system may be augmented by a metering system including flow regulator(s). Each flow regulator meters an injecting at inlet(s) of each plate of respective portions of liquid into respective portion(s) of a given stream of fluid by corresponding injection port(s).

  13. Fuel cell membrane hydration and fluid metering

    DOE Patents [OSTI]

    Jones, Daniel O.; Walsh, Michael M.

    2003-01-01

    A hydration system includes fuel cell fluid flow plate(s) and injection port(s). Each plate has flow channel(s) with respective inlet(s) for receiving respective portion(s) of a given stream of reactant fluid for a fuel cell. Each injection port injects a portion of liquid water directly into its respective flow channel. This serves to hydrate at least corresponding part(s) of a given membrane of the corresponding fuel cell(s). The hydration system may be augmented by a metering system including flow regulator(s). Each flow regulator meters an injecting at inlet(s) of each plate of respective portions of liquid into respective portion(s) of a given stream of fluid by corresponding injection port(s).

  14. Code System for Static and Dynamic Piping System Analysis.

    Energy Science and Technology Software Center (OSTI)

    2000-07-07

    EPIPE is used for design or design evaluation of complex large piping systems. The piping systems can be viewed as a network of straight pipe elements (or tangents) and curved elements (pipe bends) interconnected at joints (or nodes) with intermediate supports and anchors. The system may be subject to static loads such as thermal, dead weight, internal pressure, or dynamic loads such as earthquake motions and flow-induced vibrations, or any combination of these.

  15. Methane Hydrates R&D Program

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

    Methane Hydrate Methane Hydrate Types of Methane Hydrate Deposits Types of Methane Hydrate Deposits Methane hydrate is a cage-like lattice of ice inside of which are trapped molecules of methane, the chief constituent of natural gas. If methane hydrate is either warmed or depressurized, it will revert back to water and natural gas. When brought to the earth's surface, one cubic meter of gas hydrate releases 164 cubic meters of natural gas. Hydrate deposits may be several hundred meters thick and

  16. Structure And Dynamics of the Hydrated Palladium(II) Ion in Aqueous Solution a QMCF MD Simulation And EXAFS Spectroscopic Study

    SciTech Connect (OSTI)

    Hofer, T.S.; Randolf, B.R.; Shah, S.Adnan Ali; Rode, B.M.; Persson, I.

    2009-06-01

    The pharmacologically and industrially important palladium(II) ion is usually characterised as square-planar structure in aqueous solution, similar to the platinum(II) ion. Our investigations by means of the most modern experimental and theoretical methods give clear indications, however, that the hydrated palladium(II) ion is hexa-coordinated, with four ligands arranged in a plane at 2.0 {angstrom} plus two additional ligands in axial positions showing an elongated bond distance of 2.7-2.8 A. The second shell consists in average of 8.0 ligands at a mean distance of 4.4 {angstrom}. This structure provides a new basis for the interpretation of the kinetic properties of palladium(II) complexes.

  17. Obstacle penetrating dynamic radar imaging system

    DOE Patents [OSTI]

    Romero, Carlos E.; Zumstein, James E.; Chang, John T.; Leach, Jr.. Richard R.

    2006-12-12

    An obstacle penetrating dynamic radar imaging system for the detection, tracking, and imaging of an individual, animal, or object comprising a multiplicity of low power ultra wideband radar units that produce a set of return radar signals from the individual, animal, or object, and a processing system for said set of return radar signals for detection, tracking, and imaging of the individual, animal, or object. The system provides a radar video system for detecting and tracking an individual, animal, or object by producing a set of return radar signals from the individual, animal, or object with a multiplicity of low power ultra wideband radar units, and processing said set of return radar signals for detecting and tracking of the individual, animal, or object.

  18. Dynamic Analysis of Nuclear Energy System Strategies

    Energy Science and Technology Software Center (OSTI)

    2004-06-17

    DANESS is an integrated process model for nuclear energy systems allowing the simulation of multiple reactors and fuel cycles in a continuously changing nuclear reactor park configuration. The model is energy demand driven and simulates all nuclear fuel cycle facilites, up to 10 reactors and fuels. Reactor and fuel cycle facility history are traced and the cost of generating energy is calculated per reactor and for total nuclear energy system. The DANESS model aims atmore » performing dynamic systems analysis of nuclear energy development used for integrated analysis of development paths for nuclear energy, parameter scoping for new nuclear energy systems, economic analysis of nuclear energy, government role analysis, and education.« less

  19. Dynamically stable magnetic suspension/bearing system

    DOE Patents [OSTI]

    Post, Richard F.

    1996-01-01

    A magnetic bearing system contains magnetic subsystems which act together to support a rotating element in a state of dynamic equilibrium. However, owing to the limitations imposed by Earnshaw's Theorem, the magnetic bearing systems to be described do not possess a stable equilibrium at zero rotational speed. Therefore, mechanical stabilizers are provided, in each case, to hold the suspended system in equilibrium until its speed has exceeded a low critical speed where dynamic effects take over, permitting the achievement of a stable equilibrium for the rotating object. A state of stable equilibrium is achieved above a critical speed by use of a collection of passive elements using permanent magnets to provide their magnetomotive excitation. The magnetic forces exerted by these elements, when taken together, levitate the rotating object in equilibrium against external forces, such as the force of gravity or forces arising from accelerations. At the same time, this equilibrium is made stable against displacements of the rotating object from its equilibrium position by using combinations of elements that possess force derivatives of such magnitudes and signs that they can satisfy the conditions required for a rotating body to be stably supported by a magnetic bearing system over a finite range of those displacements.

  20. Dynamically stable magnetic suspension/bearing system

    DOE Patents [OSTI]

    Post, R.F.

    1996-02-27

    A magnetic bearing system contains magnetic subsystems which act together to support a rotating element in a state of dynamic equilibrium. However, owing to the limitations imposed by Earnshaw`s Theorem, the magnetic bearing systems to be described do not possess a stable equilibrium at zero rotational speed. Therefore, mechanical stabilizers are provided, in each case, to hold the suspended system in equilibrium until its speed has exceeded a low critical speed where dynamic effects take over, permitting the achievement of a stable equilibrium for the rotating object. A state of stable equilibrium is achieved above a critical speed by use of a collection of passive elements using permanent magnets to provide their magnetomotive excitation. The magnetic forces exerted by these elements, when taken together, levitate the rotating object in equilibrium against external forces, such as the force of gravity or forces arising from accelerations. At the same time, this equilibrium is made stable against displacements of the rotating object from its equilibrium position by using combinations of elements that possess force derivatives of such magnitudes and signs that they can satisfy the conditions required for a rotating body to be stably supported by a magnetic bearing system over a finite range of those displacements. 32 figs.

  1. Quantitative Adaptation Analytics for Assessing Dynamic Systems of Systems.

    SciTech Connect (OSTI)

    Gauthier, John H.; Miner, Nadine E.; Wilson, Michael L.; Le, Hai D.; Kao, Gio K; Melander, Darryl J.; Longsine, Dennis Earl; Vander Meer, Robert Charles,

    2015-01-01

    Our society is increasingly reliant on systems and interoperating collections of systems, known as systems of systems (SoS). These SoS are often subject to changing missions (e.g., nation- building, arms-control treaties), threats (e.g., asymmetric warfare, terrorism), natural environments (e.g., climate, weather, natural disasters) and budgets. How well can SoS adapt to these types of dynamic conditions? This report details the results of a three year Laboratory Directed Research and Development (LDRD) project aimed at developing metrics and methodologies for quantifying the adaptability of systems and SoS. Work products include: derivation of a set of adaptability metrics, a method for combining the metrics into a system of systems adaptability index (SoSAI) used to compare adaptability of SoS designs, development of a prototype dynamic SoS (proto-dSoS) simulation environment which provides the ability to investigate the validity of the adaptability metric set, and two test cases that evaluate the usefulness of a subset of the adaptability metrics and SoSAI for distinguishing good from poor adaptability in a SoS. Intellectual property results include three patents pending: A Method For Quantifying Relative System Adaptability, Method for Evaluating System Performance, and A Method for Determining Systems Re-Tasking.

  2. Extensions to Dynamic System Simulation of Fissile Solution Systems

    SciTech Connect (OSTI)

    Klein, Steven Karl; Bernardin, John David; Kimpland, Robert Herbert; Spernjak, Dusan

    2015-08-24

    Previous reports have documented the results of applying dynamic system simulation (DSS) techniques to model a variety of fissile solution systems. The SUPO (Super Power) aqueous homogeneous reactor (AHR) was chosen as the benchmark for comparison of model results to experimental data for steadystate operation.1 Subsequently, DSS was applied to additional AHR to verify results obtained for SUPO and extend modeling to prompt critical excursions, ramp reactivity insertions of various magnitudes and rate, and boiling operations in SILENE and KEWB (Kinetic Experiment Water Boiler).2 Additional models for pressurized cores (HRE: Homogeneous Reactor Experiment), annular core geometries, and accelerator-driven subcritical systems (ADAHR) were developed and results reported.3 The focus of each of these models is core dynamics; neutron kinetics, thermal hydraulics, radiolytic gas generation and transport are coupled to examine the time-based evolution of these systems from start-up through transition to steady-state. A common characteristic of these models is the assumption that (a) core cooling system inlet temperature and flow and (b) plenum gas inlet pressure and flow are held constant; no external (to core) component operations that may result in dynamic change to these parameters are considered. This report discusses extension of models to include explicit reference to cooling structures and radiolytic gas handling. The accelerator-driven subcritical generic system model described in References 3 and 4 is used as a basis for this extension.

  3. Structural system identification: Structural dynamics model validation

    SciTech Connect (OSTI)

    Red-Horse, J.R.

    1997-04-01

    Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

  4. Dynamic data filtering system and method

    DOE Patents [OSTI]

    Bickford, Randall L; Palnitkar, Rahul M

    2014-04-29

    A computer-implemented dynamic data filtering system and method for selectively choosing operating data of a monitored asset that modifies or expands a learned scope of an empirical model of normal operation of the monitored asset while simultaneously rejecting operating data of the monitored asset that is indicative of excessive degradation or impending failure of the monitored asset, and utilizing the selectively chosen data for adaptively recalibrating the empirical model to more accurately monitor asset aging changes or operating condition changes of the monitored asset.

  5. Dynamical properties of disordered systems. Final report

    SciTech Connect (OSTI)

    Orbach, R.L.; Kennel, C.; Cinderella, A.

    1984-05-21

    This final report covers the most recent period of the Office of Navy Research Contract titled DYNAMIC PROPERTIES OF DISORDERED SYSTEMS. During this period, research has been completed on a variety of research problems contained in this ONR Research Proposal. The principal areas of research can be summarized under the following categories: 1) The fractal interpretation of amorphous structures; 2) Non-linear conductivity of low dimensional materials; 3) The effect of anodization on the superconducting transition temperature; 4) The time dependence of the remanent magnetization of spin glasses; and 5) The experimental opportunities for physics at high magnetic fields.

  6. Site Selection for DOE/JIP Gas Hydrate Drilling in the Northern Gulf of Mexico

    SciTech Connect (OSTI)

    Collett, T.S.; Riedel, M.; Cochran, J.R.; Boswell, R.M.; Kumar, Pushpendra; Sathe, A.V.

    2008-07-01

    Studies of geologic and geophysical data from the offshore of India have revealed two geologically distinct areas with inferred gas hydrate occurrences: the passive continental margins of the Indian Peninsula and along the Andaman convergent margin. The Indian National Gas Hydrate Program (NGHP) Expedition 01 was designed to study the occurrence of gas hydrate off the Indian Peninsula and along the Andaman convergent margin with special emphasis on understanding the geologic and geochemical controls on the occurrence of gas hydrate in these two diverse settings. NGHP Expedition 01 established the presence of gas hydrates in Krishna- Godavari, Mahanadi and Andaman basins. The expedition discovered one of the richest gas hydrate accumulations yet documented (Site 10 in the Krishna-Godavari Basin), documented the thickest and deepest gas hydrate stability zone yet known (Site 17 in Andaman Sea), and established the existence of a fully-developed gas hydrate system in the Mahanadi Basin (Site 19).

  7. Investigating the Metastability of Clathrate Hydrates for Energy Storage

    SciTech Connect (OSTI)

    Koh, Carolyn Ann

    2014-11-18

    hydrate systems are pivotal in the fundamental understanding of crystalline clathrate hydrates and the discovery of new clathrate hydrate properties and novel materials for a broad spectrum of energy applications, including: energy storage (hydrogen, natural gas); carbon dioxide sequestration; controlling hydrate formation in oil/gas transportation in subsea pipelines. The Project has also enabled the training of undergraduate, graduate and postdoctoral students in computational methods, molecular spectroscopy and diffraction, and measurement methods at extreme conditions of high pressure and low temperature.

  8. Hydration of Portland cement with additions of calcium sulfoaluminates

    SciTech Connect (OSTI)

    Le Saout, Gwenn; Lothenbach, Barbara; Hori, Akihiro; Higuchi, Takayuki; Winnefeld, Frank

    2013-01-15

    The effect of mineral additions based on calcium aluminates on the hydration mechanism of ordinary Portland cement (OPC) was investigated using isothermal calorimetry, thermal analysis, X-ray diffraction, scanning electron microscopy, solid state nuclear magnetic resonance and pore solution analysis. Results show that the addition of a calcium sulfoaluminate cement (CSA) to the OPC does not affect the hydration mechanism of alite but controls the aluminate dissolution. In the second blend investigated, a rapid setting cement, the amorphous calcium aluminate reacts very fast to ettringite. The release of aluminum ions strongly retards the hydration of alite but the C-S-H has a similar composition as in OPC with no additional Al to Si substitution. As in CSA-OPC, the aluminate hydration is controlled by the availability of sulfates. The coupling of thermodynamic modeling with the kinetic equations predicts the amount of hydrates and pore solution compositions as a function of time and validates the model in these systems.

  9. Strategies for gas production from hydrate accumulations under various geologic conditions

    SciTech Connect (OSTI)

    Moridis, G.; Collett, T.

    2003-04-29

    In this paper we classify hydrate deposits in three classes according to their geologic and reservoir conditions, and discuss the corresponding production strategies. Simple depressurization appears promising in Class 1 hydrates, but its appeal decreases in Class 2 and Class 3 hydrates. The most promising production strategy in Class 2 hydrates involves combinations of depressurization and thermal stimulation, and is clearly enhanced by multi-well production-injection systems. The effectiveness of simple depressurization in Class 3 hydrates is limited, and thermal stimulation (alone or in combination with depressurization) through single well systems seems to be the strategy of choice in such deposits.

  10. The structure of CO2 hydrate between 0.7 and 1.0 GPa

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

    Tulk, Chris A.; Machida, Shinichi; Klug, Dennis D.; Lu, H.; Guthrie, Malcolm; Molaison, Jamie J.

    2014-11-05

    A deuterated sample of CO2 structure I (sI) clathrate hydrate (CO2 ∙ 8.3 D2O) has been formed and neutron diffraction experiments up to 1.0 GPa at 240 K were performed. The sI CO2 hydrate transformed at 0.7 GPa into the high pressure phase that had been observed previously by Hirai, et al. (J. Phys. Chem. 133, 124511 (2010)) and O. Bollengier et al. (Geochim. Cosmochim. AC. 119, 322 (2013)), but which had not been structurally identified. The current neutron diffraction data were successfully fitted to a filled ice structure with CO2 molecules filling the water channels. This CO2+water system hasmore » also been investigated using classical molecular dynamics and density functional ab initio methods to provide additional characterization of the high pressure structure. Both models indicate the water network adapts an MH-III ‘like’ filled ice structure with considerable disorder of the orientations of the CO2molecule. Furthermore, the disorder appears be a direct result of the level of proton disorder in the water network. In contrast to the conclusions of Bollengier et al. our neutron diffraction data shows that the filled ice phase can be recovered to ambient pressure (0.1 MPa) at 96 K, and recrystallization to sI hydrate occurs upon subsequent heating to 150 K, possibly by first forming low density amorphous ice. Unlike other clathrate hydrate systems, which transform from the sI or sII structure to the hexagonal structure (sH) then to the filled ice structure, CO2 hydrate transforms directly from the sI form to the filled ice structure.« less

  11. Rapid gas hydrate formation process

    DOE Patents [OSTI]

    Brown, Thomas D.; Taylor, Charles E.; Unione, Alfred J.

    2013-01-15

    The disclosure provides a method and apparatus for forming gas hydrates from a two-phase mixture of water and a hydrate forming gas. The two-phase mixture is created in a mixing zone which may be wholly included within the body of a spray nozzle. The two-phase mixture is subsequently sprayed into a reaction zone, where the reaction zone is under pressure and temperature conditions suitable for formation of the gas hydrate. The reaction zone pressure is less than the mixing zone pressure so that expansion of the hydrate-forming gas in the mixture provides a degree of cooling by the Joule-Thompson effect and provides more intimate mixing between the water and the hydrate-forming gas. The result of the process is the formation of gas hydrates continuously and with a greatly reduced induction time. An apparatus for conduct of the method is further provided.

  12. Methods and systems for combustion dynamics reduction

    DOE Patents [OSTI]

    Kraemer, Gilbert Otto; Varatharajan, Balachandar; Srinivasan, Shiva; Lynch, John Joseph; Yilmaz, Ertan; Kim, Kwanwoo; Lacy, Benjamin; Crothers, Sarah; Singh, Kapil Kumar

    2009-08-25

    Methods and systems for combustion dynamics reduction are provided. A combustion chamber may include a first premixer and a second premixer. Each premixer may include at least one fuel injector, at least one air inlet duct, and at least one vane pack for at least partially mixing the air from the air inlet duct or ducts and fuel from the fuel injector or injectors. Each vane pack may include a plurality of fuel orifices through which at least a portion of the fuel and at least a portion of the air may pass. The vane pack or packs of the first premixer may be positioned at a first axial position and the vane pack or packs of the second premixer may be positioned at a second axial position axially staggered with respect to the first axial position.

  13. Dynamic Object Oriented Requirements System (DOORS) System Test Plan

    SciTech Connect (OSTI)

    JOHNSON, A.L.

    2000-04-01

    The U. S. Department of Energy, Office of River Protection (ORP) will use the Dynamic Object Oriented Requirements System (DOORS) as a tool to assist in identifying, capturing, and maintaining the necessary and sufficient set of requirements for accomplishing the ORP mission. By managing requirements as one integrated set, the ORP will be able to carry out its mission more efficiently and effectively. DOORS is a Commercial-Off-The-Shelf (COTS) requirements management tool. The tool has not been customized for the use of the PIO, at this time.

  14. Methane Hydrate Advisory Committee Meeting Minutes | Department...

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

    2012 Houston, TX PDF icon July 26, 2012 Meeting Minutes More Documents & Publications Methane Hydrate Advisory Committee Meeting Minutes Methane Hydrate Advisory Committee Meeting...

  15. Methane Hydrate Advisory Committee Meeting Minutes | Department...

    Office of Environmental Management (EM)

    Washington, DC PDF icon July 16, 2013 Meeting Minutes More Documents & Publications Methane Hydrate Advisory Committee Meeting Minutes Methane Hydrate Advisory Committee Meeting...

  16. Methane Hydrate Advisory Committee Meeting Minutes | Department...

    Energy Savers [EERE]

    DC PDF icon March 27-28, 2014, Meeting Minutes More Documents & Publications Methane Hydrate Advisory Committee Meeting Minutes, March 2010 Methane Hydrate Advisory...

  17. Methane Hydrate Advisory Committee Meeting Minutes | Department...

    Broader source: Energy.gov (indexed) [DOE]

    June 6th - 7th, 2013 Meeting Minutes More Documents & Publications Methane Hydrate Advisory Committee Meeting Minutes, June 6th-7th, 2013 Methane Hydrate Advisory Committee Meeting...

  18. Dynamical transitions in large systems of mean field-coupled...

    Office of Scientific and Technical Information (OSTI)

    chaos and cluster states Citation Details In-Document Search Title: Dynamical transitions in large systems of mean field-coupled Landau-Stuart oscillators: Extensive chaos and ...

  19. Dimensions of invariant measures for continuous random dynamical systems

    SciTech Connect (OSTI)

    Bielaczyc, Tomasz; Horbacz, Katarzyna

    2015-03-10

    We consider continuous random dynamical systems with jumps. We estimate the dimension of the invariant measures and apply the results to a model of stochastic gene expression.

  20. Dynamic System Simulation of the KRUSTY Experiment (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Dynamic System Simulation of the KRUSTY Experiment Citation Details ... Have feedback or suggestions for a way to improve these results? Save Share this ...

  1. Wax and hydrate control with electrical power

    SciTech Connect (OSTI)

    1997-08-01

    Electrical heating of subsea flowlines is an effective way to prevent wax and hydrate information, especially for long transportation distances and in low-temperature deep water. Systems are available for use in conjunction with bundles, pipe-in-pipe, and wet-thermal-insulation systems. These systems provide environmentally friendly fluid-temperature control without chemicals or flaring for pipeline depressurizing. Enhanced production is achieved because no time is lost by unnecessary depressurizing, pigging, heating-medium circulation, or removal of hydrate and wax blockages. The seabed temperature at 100-m and greater water depths may range from 7 to {minus}1.5 C, causing a rapid cooling of the hot well streams being transported in subsea flowlines. Under these supercooling conditions, vulnerable crude oils and multiphase compositions will deposit wax and asphalts; also the gas/water phase may freeze solid with hydrate particles. The paper discusses thermal-insulated flowlines, heat-loss compensation with electrical power, electrical power consumption and operation, and subsea electrical-power distribution system.

  2. Methane Hydrate R&D | Department of Energy

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

    R&D Methane Hydrate R&D Natural gas is an important energy resource for the United States, providing nearly one-quarter of total energy use. The Department of Energy's Office of Fossil Energy has played a major role in developing technologies to help tap new, unconventional sources of natural gas. Fossil Energy Research Benefits - Methane Hydrate (1.01 MB) More Documents & Publications Idaho Operations AMWTP Fact Sheet Greenpower Trap Mufflerl System CERTIFIED REALTY SPECIALIST

  3. Generic solar photovoltaic system dynamic simulation model specification.

    SciTech Connect (OSTI)

    Ellis, Abraham; Behnke, Michael Robert; Elliott, Ryan Thomas

    2013-10-01

    This document is intended to serve as a specification for generic solar photovoltaic (PV) system positive-sequence dynamic models to be implemented by software developers and approved by the WECC MVWG for use in bulk system dynamic simulations in accordance with NERC MOD standards. Two specific dynamic models are included in the scope of this document. The first, a Central Station PV System model, is intended to capture the most important dynamic characteristics of large scale (> 10 MW) PV systems with a central Point of Interconnection (POI) at the transmission level. The second, a Distributed PV System model, is intended to represent an aggregation of smaller, distribution-connected systems that comprise a portion of a composite load that might be modeled at a transmission load bus.

  4. methane hydrates | netl.doe.gov

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

    methane hydrates methane-hydrates.jpg Maintaining a focused vision on what's next is one trait that makes NETL a lab of the future, and methane hydrates are one "cool" part of that vision. Found in Arctic and deep-water marine environments, methane hydrates are an untapped abundant source of natural gas. A hydrate comprises a crystal structure in which frozen water creates a cage that traps molecules of primarily methane (natural gas). NETL researchers are exploring and developing

  5. Response of oceanic hydrate-bearing sediments to thermalstresses

    SciTech Connect (OSTI)

    Moridis, G.J.; Kowalsky, M.B.

    2006-05-01

    In this study, we evaluate the response of oceanicsubsurface systems to thermal stresses caused by the flow of warm fluidsthrough noninsulated well systems crossing hydrate-bearing sediments.Heat transport from warm fluids, originating from deeper reservoirs underproduction, into the geologic media can cause dissociation of the gashydrates. The objective of this study is to determine whether gasevolution from hydrate dissociation can lead to excessive pressurebuildup, and possibly to fracturing of hydrate-bearing formations andtheir confining layers, with potentially adverse consequences on thestability of the suboceanic subsurface. This study also aims to determinewhether the loss of the hydrate--known to have a strong cementing effecton the porous media--in the vicinity of the well, coupled with thesignificant pressure increases, can undermine the structural stability ofthe well assembly.Scoping 1D simulations indicated that the formationintrinsic permeability, the pore compressibility, the temperature of theproduced fluids andthe initial hydrate saturation are the most importantfactors affecting the system response, while the thermal conductivity andporosity (above a certain level) appear to have a secondary effect.Large-scale simulations of realistic systems were also conducted,involving complex well designs and multilayered geologic media withnonuniform distribution of properties and initial hydrate saturationsthat are typical of those expected in natural oceanic systems. Theresults of the 2D study indicate that although the dissociation radiusremains rather limited even after long-term production, low intrinsicpermeability and/or high hydrate saturation can lead to the evolution ofhigh pressures that can threaten the formation and its boundaries withfracturing. Although lower maximum pressures are observed in the absenceof bottom confining layers and in deeper (and thus warmer and morepressurized) systems, the reduction is limited. Wellbore designs withgravel

  6. Evaluation of the thermodynamic properties of hydrated metal oxide nanoparticles by INS techniques

    SciTech Connect (OSTI)

    Spencer, Elinor; Ross, Dr. Nancy; Parker, Stewart F.; Kolesnikov, Alexander I

    2013-01-01

    In this contribution we will present a detailed methodology for the elucidation of the following aspects of the thermodynamic properties of hydrated metal oxide nanoparticles from high-resolution, low-temperature inelastic neutron scattering (INS) data: (i) the isochoric heat capacity and entropy of the hydration layers both chemi- and physisorbed to the particle surface; (ii) the magnetic contribution to the heat capacity of the nanoparticles. This will include the calculation of the vibrational density of states (VDOS) from the raw INS spectra, and the subsequent extraction of the thermodynamic data from the VDOS. This technique will be described in terms of a worked example namely, cobalt oxide (Co3O4 and CoO). To complement this evaluation of the physical properties of metal oxide nanoparticle systems, we will emphasise the importance of high-resolution, high-energy INS for the determination of the structure and dynamics of the water species, namely molecular (H2O) and dissociated water (OH, hydroxyl), confined to the oxide surfaces. For this component of the chapter we will focus on INS investigations of hydrated isostructural rutile (a-TiO2) and cassiterite (SnO2) nanoparticles. We will complete this discussion of nanoparticle analysis by including an appraisal of the INS instrumentation employed in such studies with particular focus on TOSCA [ISIS, Rutherford Appleton Laboratory (RAL), U.K.] and the newly developed spectrometer SEQUOIA [SNS, Oak Ridge National Laboratory (ORNL), U.S.A].

  7. The structure of CO{sub 2} hydrate between 0.7 and 1.0 GPa

    SciTech Connect (OSTI)

    Tulk, C. A.; Molaison, J. J.; Machida, S.; Klug, D. D.; Lu, H.; Guthrie, M.

    2014-11-07

    A deuterated sample of CO{sub 2} structure I (sI) clathrate hydrate (CO{sub 2}8.3 D{sub 2}O) has been formed and neutron diffraction experiments up to 1.0 GPa at 240 K were performed. The sI CO{sub 2} hydrate transformed at 0.7 GPa into the high pressure phase that had been observed previously by Hirai et al. [J. Phys. Chem. 133, 124511 (2010)] and Bollengier et al. [Geochim. Cosmochim. Acta 119, 322 (2013)], but which had not been structurally identified. The current neutron diffraction data were successfully fitted to a filled ice structure with CO{sub 2} molecules filling the water channels. This CO{sub 2}+water system has also been investigated using classical molecular dynamics and density functional ab initio methods to provide additional characterization of the high pressure structure. Both models indicate the water network adapts a MH-III like filled ice structure with considerable disorder of the orientations of the CO{sub 2} molecule. Furthermore, the disorder appears to be a direct result of the level of proton disorder in the water network. In contrast to the conclusions of Bollengier et al., our neutron diffraction data show that the filled ice phase can be recovered to ambient pressure (0.1?MPa) at 96 K, and recrystallization to sI hydrate occurs upon subsequent heating to 150?K, possibly by first forming low density amorphous ice. Unlike other clathrate hydrate systems, which transform from the sI or sII structure to the hexagonal structure (sH) then to the filled ice structure, CO{sub 2} hydrate transforms directly from the sI form to the filled ice structure.

  8. Methane Hydrate Advisory Committee Charter | Department of Energy

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

    Charter Methane Hydrate Advisory Committee Charter Methane Hydrate Advisory Committee Charter PDF icon Methane Hydrate Advisory Committee Charter More Documents & Publications ...

  9. May 15, 2014 Methane Hydrates Committee Meeting Agenda | Department...

    Office of Environmental Management (EM)

    May 15, 2014 Methane Hydrates Committee Meeting Agenda May 15, 2014 Methane Hydrates Committee Meeting Agenda May 15, 2014 Methane Hydrates Committee Meeting Agenda PDF icon...

  10. Methane Hydrate Advisory Committee Meeting Minutes, March 2010...

    Energy Savers [EERE]

    March 2010 Methane Hydrate Advisory Committee Meeting Minutes, March 2010 Methane Hydrate Advisory Committee Meeting Minutes March 2010 Washington, DC PDF icon Methane Hydrate...

  11. Methane Hydrate Advisory Committee Meeting Minutes, June 6th...

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

    Methane Hydrate Advisory Committee Meeting Minutes, June 6th-7th, 2013 Methane Hydrate Advisory Committee Meeting Minutes, June 6th-7th, 2013 Methane Hydrate Advisory Committee...

  12. Physical Properties of Gas Hydrates: A Review (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Physical Properties of Gas Hydrates: A Review Citation Details In-Document Search Title: Physical Properties of Gas Hydrates: A Review Methane gas hydrates in ...

  13. Physical Properties of Gas Hydrates: A Review (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Physical Properties of Gas Hydrates: A Review Citation Details In-Document Search Title: Physical Properties of Gas Hydrates: A Review Methane gas hydrates in sediments have been ...

  14. Methane Hydrate Research and Development Act of 2000 | Department...

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

    Research and Development Act of 2000 Methane Hydrate Research and Development Act of 2000 Methane Hydrate Research and Development Act of 2000 PDF icon Methane Hydrate Research and ...

  15. Structures and Dynamics in Condensed Systems | The Ames Laboratory

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

    Structures and Dynamics in Condensed Systems Research Personnel Updates Publications The (Solidification) Path of Least Resistance Read More Finding the Hidden Order in Disordered Materials Read More Finding Order Amid the Chaos Read More Previous Pause Next Synthesis The research effort proposed here entails bringing simulation methods together with theory and critical experiments to investigate structural selection dynamics in highly driven systems. Building on our past efforts aimed at

  16. Dynamic System Simulation of the KRUSTY Experiment (Technical Report) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Technical Report: Dynamic System Simulation of the KRUSTY Experiment Citation Details In-Document Search Title: Dynamic System Simulation of the KRUSTY Experiment The proposed KRUSTY experiment is a demonstration of a reactor operating at power. The planned experimental configuration includes a highly enriched uranium (HEU) reflected core, cooled by multiple heat pipes leading to Stirling engines for primary heat rejection. Operating power is expected to be approximately four

  17. Approximate Bisimulation-Based Reduction of Power System Dynamic Models

    SciTech Connect (OSTI)

    Stankovic, AM; Dukic, SD; Saric, AT

    2015-05-01

    In this paper we propose approximate bisimulation relations and functions for reduction of power system dynamic models in differential- algebraic (descriptor) form. The full-size dynamic model is obtained by linearization of the nonlinear transient stability model. We generalize theoretical results on approximate bisimulation relations and bisimulation functions, originally derived for a class of constrained linear systems, to linear systems in descriptor form. An algorithm for transient stability assessment is proposed and used to determine whether the power system is able to maintain the synchronism after a large disturbance. Two benchmark power systems are used to illustrate the proposed algorithm and to evaluate the applicability of approximate bisimulation relations and bisimulation functions for reduction of the power system dynamic models.

  18. Challenges, uncertainties and issues facing gas production from gas hydrate deposits

    SciTech Connect (OSTI)

    Moridis, G.J.; Collett, T.S.; Pooladi-Darvish, M.; Hancock, S.; Santamarina, C.; Boswell, R.; Kneafsey, T.; Rutqvist, J.; Kowalsky, M.; Reagan, M.T.; Sloan, E.D.; Sum, A.K.; Koh, C.

    2010-11-01

    The current paper complements the Moridis et al. (2009) review of the status of the effort toward commercial gas production from hydrates. We aim to describe the concept of the gas hydrate petroleum system, to discuss advances, requirement and suggested practices in gas hydrate (GH) prospecting and GH deposit characterization, and to review the associated technical, economic and environmental challenges and uncertainties, including: the accurate assessment of producible fractions of the GH resource, the development of methodologies for identifying suitable production targets, the sampling of hydrate-bearing sediments and sample analysis, the analysis and interpretation of geophysical surveys of GH reservoirs, well testing methods and interpretation of the results, geomechanical and reservoir/well stability concerns, well design, operation and installation, field operations and extending production beyond sand-dominated GH reservoirs, monitoring production and geomechanical stability, laboratory investigations, fundamental knowledge of hydrate behavior, the economics of commercial gas production from hydrates, and the associated environmental concerns.

  19. Methane Hydrate Annual Reports | Department of Energy

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

    Annual Reports Methane Hydrate Annual Reports Section 968 of the Energy Policy Act of 2005 requires the Department of Energy to submit to Congress an annual report on the results of Methane Hydrate research. Listed are the Annual Reports per Fiscal Year. FY 14 Methane Hydrate Program Report to Congress (10.92 MB) FY 13 Methane Hydrates Annual Report to Congress (960.13 KB) FY 12 Methane Hydrates Annual Report to Congress (1.09 MB) FY 11 Methane Hydrates Annual Report to Congress (953.09 KB) FY

  20. Methane Hydrate Reservoir Simulator Code Comparison Study

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

    Annual Reports Methane Hydrate Annual Reports Section 968 of the Energy Policy Act of 2005 requires the Department of Energy to submit to Congress an annual report on the results of Methane Hydrate research. Listed are the Annual Reports per Fiscal Year. FY 14 Methane Hydrate Program Report to Congress (10.92 MB) FY 13 Methane Hydrates Annual Report to Congress (960.13 KB) FY 12 Methane Hydrates Annual Report to Congress (1.09 MB) FY 11 Methane Hydrates Annual Report to Congress (953.09 KB) FY

  1. Dynamics analyses of space power systems using the salt code

    SciTech Connect (OSTI)

    Geyer, H.K.; Bhattacharyya, S.K.; Hanan, N.A.; Livingston, J.M.; Westinghouse Electric Corp., Pittsburgh, PA )

    1989-01-01

    The dynamic behavior of large space power systems has been identified as a significant technical issue. To date several analyses of reactor kinetics have been reported in the literature, but there have been few (if any) studies of the dynamic response of the entire space power system. The problem is complex and required analytical methods are not generally available. Furthermore, given the conceptual state of current MMW space power systems designs, dynamic models of components are not generally available. We have used the SALT code to perform preliminary analyses of the startup and shutdown transients of several proposed MMW system designs. In this paper we will provide a description of the code methodology and present results of the analyses performed for the NERVA derivative reactor (NDR) system. 3 refs., 3 figs.

  2. Natural Gas Hydrates Update 1998-2000

    Reports and Publications (EIA)

    2001-01-01

    Significant events have transpired on the natural gas hydrate research and development front since "Future Supply Potential of Natural Gas Hydrates" appeared in Natural Gas 1998 Issues and Trends and in the Potential Gas Committee's 1998 biennial report.

  3. Methane Hydrate Advisory Committee (MHAC) Meeting

    Energy Savers [EERE]

    ... International gas hydrate research programs were also discussed. While investments in gas hydrates are being made in Japan, South Korea, India, Germany and China, it is the U.S. ...

  4. METHANE HYDRATE ADVISORY COMMITTEE U.S. Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    METHANE HYDRATE ADVISORY COMMITTEE U.S. Department of Energy Advisory Committee Charter - - - - ---- ---- ------ 1. Committee's Official Designation. Methane Hydrate Advisory...

  5. Natural Gas Hydrates Update 2000-2002

    Reports and Publications (EIA)

    2003-01-01

    Natural gas hydrates research and development (R&D) activity expanded significantly during the 2000-2002.

  6. Methane Hydrate Production Feasibility | Department of Energy

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

    Production Feasibility Methane Hydrate Production Feasibility The red curves are temperature profiles for various water depths; the blue line shows methane hydrate stability relative to temperature and pressure. The area enclosed by the two curves represents the area of methane hydrate stability. The red curves are temperature profiles for various water depths; the blue line shows methane hydrate stability relative to temperature and pressure. The area enclosed by the two curves represents the

  7. Using Carbon Dioxide to Enhance Recovery of Methane from Gas Hydrate Reservoirs: Final Summary Report

    SciTech Connect (OSTI)

    McGrail, B. Peter; Schaef, Herbert T.; White, Mark D.; Zhu, Tao; Kulkarni, Abhijeet S.; Hunter, Robert B.; Patil, Shirish L.; Owen, Antionette T.; Martin, P F.

    2007-09-01

    Carbon dioxide sequestration coupled with hydrocarbon resource recovery is often economically attractive. Use of CO2 for enhanced recovery of oil, conventional natural gas, and coal-bed methane are in various stages of common practice. In this report, we discuss a new technique utilizing CO2 for enhanced recovery of an unconventional but potentially very important source of natural gas, gas hydrate. We have focused our attention on the Alaska North Slope where approximately 640 Tcf of natural gas reserves in the form of gas hydrate have been identified. Alaska is also unique in that potential future CO2 sources are nearby, and petroleum infrastructure exists or is being planned that could bring the produced gas to market or for use locally. The EGHR (Enhanced Gas Hydrate Recovery) concept takes advantage of the physical and thermodynamic properties of mixtures in the H2O-CO2 system combined with controlled multiphase flow, heat, and mass transport processes in hydrate-bearing porous media. A chemical-free method is used to deliver a LCO2-Lw microemulsion into the gas hydrate bearing porous medium. The microemulsion is injected at a temperature higher than the stability point of methane hydrate, which upon contacting the methane hydrate decomposes its crystalline lattice and releases the enclathrated gas. Small scale column experiments show injection of the emulsion into a CH4 hydrate rich sand results in the release of CH4 gas and the formation of CO2 hydrate

  8. Electrical Resistivity Investigation of Gas Hydrate Distribution in Mississippi Canyon Block 118, Gulf of Mexico

    SciTech Connect (OSTI)

    Dunbar, John

    2012-12-31

    Electrical methods offer a geophysical approach for determining the sub-bottom distribution of hydrate in deep marine environments. Methane hydrate is essentially non-conductive. Hence, sediments containing hydrate are more resistive than sediments without hydrates. To date, the controlled source electromagnetic (CSEM) method has been used in marine hydrates studies. This project evaluated an alternative electrical method, direct current resistivity (DCR), for detecting marine hydrates. DCR involves the injection of direct current between two source electrodes and the simultaneous measurement of the electric potential (voltage) between multiple receiver electrodes. The DCR method provides subsurface information comparable to that produced by the CSEM method, but with less sophisticated instrumentation. Because the receivers are simple electrodes, large numbers can be deployed to achieve higher spatial resolution. In this project a prototype seafloor DCR system was developed and used to conduct a reconnaissance survey at a site of known hydrate occurrence in Mississippi Canyon Block 118. The resulting images of sub-bottom resistivities indicate that high-concentration hydrates at the site occur only in the upper 50 m, where deep-seated faults intersect the seafloor. Overall, there was evidence for much less hydrate at the site than previously thought based on available seismic and CSEM data alone.

  9. Sources of biogenic methane to form marine gas hydrates: In situ production or upward migration?

    SciTech Connect (OSTI)

    Paull, C.K.; Ussler, W. III; Borowski, W.S.

    1993-09-01

    Potential sources of biogenic methane in the Carolina Continental Rise -- Blake Ridge sediments have been examined. Two models were used to estimate the potential for biogenic methane production: (1) construction of sedimentary organic carbon budgets, and (2) depth extrapolation of modern microbial production rates. While closed-system estimates predict some gas hydrate formation, it is unlikely that >3% of the sediment volume could be filled by hydrate from methane produced in situ. Formation of greater amounts requires migration of methane from the underlying continental rise sediment prism. Methane may be recycled from below the base of the gas hydrate stability zone by gas hydrate decomposition, upward migration of the methane gas, and recrystallization of gas hydrate within the overlying stability zone. Methane bubbles may also form in the sediment column below the depth of gas hydrate stability because the methane saturation concentration of the pore fluids decreases with increasing depth. Upward migration of methane bubbles from these deeper sediments can add methane to the hydrate stability zone. From these models it appears that recycling and upward migration of methane is essential in forming significant gas hydrate concentrations. In addition, the depth distribution profiles of methane hydrate will differ if the majority of the methane has migrated upward rather than having been produced in situ.

  10. Modeling mesoscopic phenomena in extended dynamical systems

    SciTech Connect (OSTI)

    Bishop, A.; Lomdahl, P.; Jensen, N.G.; Cai, D.S. [Los Alamos National Lab., NM (United States); Mertenz, F. [Bayreuth Univ. (Germany); Konno, Hidetoshi [Tsukuba Univ., Ibaraki (Japan); Salkola, M. [Stanford Univ., CA (United States)

    1997-08-01

    This is the final report of a three-year, Laboratory-Directed Research and Development project at the Los Alamos National Laboratory (LANL). We have obtained classes of nonlinear solutions on curved geometries that demonstrate a novel interplay between topology and geometric frustration relevant for nanoscale systems. We have analyzed the nature and stability of localized oscillatory nonlinear excitations (multi-phonon bound states) on discrete nonlinear chains, including demonstrations of successful perturbation theories, existence of quasiperiodic excitations, response to external statistical time-dependent fields and point impurities, robustness in the presence of quantum fluctuations, and effects of boundary conditions. We have demonstrated multi-timescale effects for nonlinear Schroedinger descriptions and shown the success of memory function approaches for going beyond these approximations. In addition we have developed a generalized rate-equation framework that allows analysis of the important creation/annihilation processes in driven nonlinear, nonequilibiium systems.

  11. Reaction dynamics and photochemistry of divalent systems

    SciTech Connect (OSTI)

    Davis, H.F.

    1992-05-01

    Results are presented of molecular beam studies of bimolecular and unimolecular reactions of Ba. Chapter 1 discusses the reaction Ba + NO{sub 2}. Formation of the dominant BaO({sup 1}{Sigma}) + NO products resulted primarily from decay of long-lived Ba{sup +}NO{sub 2}{sup {minus}} collision complexes. Secondary mechanisms led to formation of forward scattered, internally excited BaO, and BaNO + O. D{sub o}(Ba-NO) = 65{plus_minus}20 kcal/mol. Reactions of ground state and electronically excited Ba with water and alcohols are examined in Chapter 2. Reaction of Ba({sup 1}S) + H{sup 2}O led to BaO + H{sub 2}, whereas excited state Ba({sup 1}D) + H{sub 2}O reacted to form BaOH + H. Collisions between Ba and CH{sub 3}OH led to BaOCH{sub 3} + H. Radical channels involve H-atom migration and are promoted by excitation of the incident Ba atom. In Chapter 3, reactions of Ba({sup 1}S) with ClO{sub 2}2 and O{sub 3} are discussed. Again, direct and complex mechanisms were observed. Formation of BaCl + O{sub 2} from decomposition of Ba{sup +}ClO{sub 2}{sup {minus}} accounted for 10% of total reaction crass section. Although Ba + O{sub 3} {yields} BaO + 0{sub 2} occurs primarily by direct reaction mechanisms, the secondary channel Ba + 0{sub 3} {yields} BaO{sub 2} + 0 involved decay of long lived Ba{sup +}O{sub 3}{sup {minus}} intermediates. D{sub o}(Ba{minus}O{sub 2}) = 120 {plus_minus}20 kcal/mol. Photodissociation dynamics of NO{sub 3} is explored in chapter 4. Visible excitation leads to formation of NO + 0{sub 2} and NO{sub 2} + O. Wavelength dependence of branching ratios is investigated. D{sub o}(O-NO{sub 2}) = 48.55 kcal/mole ;and calculate {Delta}H{sub f}(NO{sub 3}) = 17.75 kcal/mole (298K). Chapter 5 discusses the photodissociation of OClO in a molecular beam. Although ClO({sup 2}II) + O({sup 3}P) is dominant, Cl({sup 2}P) + O{sub 2} also forms, with a max yield of 3.9{plus_minus}0.8% near 404nm.

  12. Real-Time Dynamics Monitoring System with Synchronized Phasor Measurements

    Energy Science and Technology Software Center (OSTI)

    2005-01-01

    The Real-Time Dynamics Monitoring System is designed to monitor the dynamics within the power grid and assess the system behavior during normal and disturbance conditions. The RTDMS application was built on the Grid-3P technology platform and takes real-time information collected by Synchronized Phasor Measurement Units (PMU5) or other collection devices and transmitted to a central Phasor Data Concentrator (PDC) for monitoring grid dynamics. The data is sampled 30 times per second and is time-synchronized. Thismore » data is processed to create graphical and geographical displays to provide visualization for frequency/frequency response, voltage magnitudes and angles, voltage angle differences across critical paths as well as real and reactive power-flows on a sub-second and second basis. Software allows for monitoring, tracking, historical data archiving and electric system troubleshooting for reliability management.« less

  13. Integrated dynamic modeling and management system mission analysis

    SciTech Connect (OSTI)

    Lee, A.K.

    1994-12-28

    This document summarizes the mission analysis performed on the Integrated Dynamic Modeling and Management System (IDMMS). The IDMMS will be developed to provide the modeling and analysis capability required to understand the TWRS system behavior in terms of the identified TWRS performance measures. The IDMMS will be used to demonstrate in a verified and validated manner the satisfactory performance of the TWRS system configuration and assurance that the requirements have been satisfied.

  14. Global Energy Management System Implementation: General Dynamics Case Study

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

    Global Energy Management System Implementation: Case Study 1 USA, Superior Energy Performance Defense contractor improves energy performance nearly 12%, achieving a six-month payback and earning Gold- level certification by Superior Energy Performance Business Benefits Achieved General Dynamics Ordnance and Tactical Systems (GD-OTS) worked with the U.S. Department of Energy's Advanced Manufacturing Office to successfully implement an energy management system (EnMS) at a federal ammunition plant

  15. Modeling pure methane hydrate dissociation using a numerical simulator from a novel combination of X-ray computed tomography and macroscopic data

    SciTech Connect (OSTI)

    Gupta, A.; Moridis, G.J.; Kneafsey, T.J.; Sloan, Jr., E.D.

    2009-08-15

    The numerical simulator TOUGH+HYDRATE (T+H) was used to predict the transient pure methane hydrate (no sediment) dissociation data. X-ray computed tomography (CT) was used to visualize the methane hydrate formation and dissociation processes. A methane hydrate sample was formed from granular ice in a cylindrical vessel, and slow depressurization combined with thermal stimulation was applied to dissociate the hydrate sample. CT images showed that the water produced from the hydrate dissociation accumulated at the bottom of the vessel and increased the hydrate dissociation rate there. CT images were obtained during hydrate dissociation to confirm the radial dissociation of the hydrate sample. This radial dissociation process has implications for dissociation of hydrates in pipelines, suggesting lower dissociation times than for longitudinal dissociation. These observations were also confirmed by the numerical simulator predictions, which were in good agreement with the measured thermal data during hydrate dissociation. System pressure and sample temperature measured at the sample center followed the CH{sub 4} hydrate L{sub w}+H+V equilibrium line during hydrate dissociation. The predicted cumulative methane gas production was within 5% of the measured data. Thus, this study validated our simulation approach and assumptions, which include stationary pure methane hydrate-skeleton, equilibrium hydrate-dissociation and heat- and mass-transfer in predicting hydrate dissociation in the absence of sediments. It should be noted that the application of T+H for the pure methane hydrate system (no sediment) is outside the general applicability limits of T+H.

  16. Protein structure and hydration probed by SANS and osmotic stress

    SciTech Connect (OSTI)

    Rau, Dr. Donald [National Institutes of Health

    2008-01-01

    Interactions governing protein folding, stability, recognition, and activity are mediated by hydration. Here, we use small-angle neutron scattering coupled with osmotic stress to investigate the hydration of two proteins, lysozyme and guanylate kinase (GK), in the presence of solutes. By taking advantage of the neutron contrast variation that occurs upon addition of these solutes, the number of protein-associated (solute-excluded) water molecules can be estimated from changes in both the zero-angle scattering intensity and the radius of gyration. Poly(ethylene glycol) exclusion varies with molecular weight. This sensitivity can be exploited to probe structural features such as the large internal GK cavity. For GK, small-angle neutron scattering is complemented by isothermal titration calorimetry with osmoticstress to also measure hydration changes accompanying ligand binding. These results provide a framework for studying other biomolecular systems and assemblies using neutron scattering together with osmotic stress.

  17. Handbook of gas hydrate properties and occurrence

    SciTech Connect (OSTI)

    Kuustraa, V.A.; Hammershaimb, E.C.

    1983-12-01

    This handbook provides data on the resource potential of naturally occurring hydrates, the properties that are needed to evaluate their recovery, and their production potential. The first two chapters give data on the naturally occurring hydrate potential by reviewing published resource estimates and the known and inferred occurrences. The third and fourth chapters review the physical and thermodynamic properties of hydrates, respectively. The thermodynamic properties of hydrates that are discussed include dissociation energies and a simplified method to calculate them; phase diagrams for simple and multi-component gases; the thermal conductivity; and the kinetics of hydrate dissociation. The final chapter evaluates the net energy balance of recovering hydrates and shows that a substantial positive energy balance can theoretically be achieved. The Appendices of the Handbook summarize physical and thermodynamic properties of gases, liquids and solids that can be used in designing and evaluating recovery processes of hydrates. 158 references, 67 figures, 47 tables.

  18. Dual reorientation relaxation routes of water molecules in oxyanion’s hydration shell: A molecular geometry perspective

    SciTech Connect (OSTI)

    Xie, Wen Jun; Yang, Yi Isaac; Gao, Yi Qin

    2015-12-14

    In this study, we examine how complex ions such as oxyanions influence the dynamic properties of water and whether differences exist between simple halide anions and oxyanions. Nitrate anion is taken as an example to investigate the hydration properties of oxyanions. Reorientation relaxation of its hydration water can occur through two different routes: water can either break its hydrogen bond with the nitrate to form one with another water or switch between two oxygen atoms of the same nitrate. The latter molecular mechanism increases the residence time of oxyanion’s hydration water and thus nitrate anion slows down the translational motion of neighbouring water. But it is also a “structure breaker” in that it accelerates the reorientation relaxation of hydration water. Such a result illustrates that differences do exist between the hydration of oxyanions and simple halide anions as a result of different molecular geometries. Furthermore, the rotation of the nitrate solute is coupled with the hydrogen bond rearrangement of its hydration water. The nitrate anion can either tilt along the axis perpendicularly to the plane or rotate in the plane. We find that the two reorientation relaxation routes of the hydration water lead to different relaxation dynamics in each of the two above movements of the nitrate solute. The current study suggests that molecular geometry could play an important role in solute hydration and dynamics.

  19. Comparison of kinetic and equilibrium reaction models insimulating gas hydrate behavior in porous media

    SciTech Connect (OSTI)

    Kowalsky, Michael B.; Moridis, George J.

    2006-11-29

    In this study we compare the use of kinetic and equilibriumreaction models in the simulation of gas (methane) hydrate behavior inporous media. Our objective is to evaluate through numerical simulationthe importance of employing kinetic versus equilibrium reaction modelsfor predicting the response of hydrate-bearing systems to externalstimuli, such as changes in pressure and temperature. Specifically, we(1) analyze and compare the responses simulated using both reactionmodels for natural gas production from hydrates in various settings andfor the case of depressurization in a hydrate-bearing core duringextraction; and (2) examine the sensitivity to factors such as initialhydrate saturation, hydrate reaction surface area, and numericaldiscretization. We find that for large-scale systems undergoing thermalstimulation and depressurization, the calculated responses for bothreaction models are remarkably similar, though some differences areobserved at early times. However, for modeling short-term processes, suchas the rapid recovery of a hydrate-bearing core, kinetic limitations canbe important, and neglecting them may lead to significantunder-prediction of recoverable hydrate. The use of the equilibriumreaction model often appears to be justified and preferred for simulatingthe behavior of gas hydrates, given that the computational demands forthe kinetic reaction model far exceed those for the equilibrium reactionmodel.

  20. Basin scale assessment of gas hydrate dissociation in response to climate change

    SciTech Connect (OSTI)

    Reagan, M.; Moridis, G.; Elliott, S.; Maltrud, M.; Cameron-Smith, P.

    2011-07-01

    Paleooceanographic evidence has been used to postulate that methane from oceanic hydrates may have had a significant role in regulating climate. However, the behavior of contemporary oceanic methane hydrate deposits subjected to rapid temperature changes, like those now occurring in the arctic and those predicted under future climate change scenarios, has only recently been investigated. Field investigations have discovered substantial methane gas plumes exiting the seafloor along the Arctic Ocean margin, and the plumes appear at depths corresponding to the upper limit of a receding gas hydrate stability zone. It has been suggested that these plumes may be the first visible signs of the dissociation of shallow hydrate deposits due to ongoing climate change in the arctic. We simulate the release of methane from oceanic deposits, including the effects of fully-coupled heat transfer, fluid flow, hydrate dissociation, and other thermodynamic processes, for systems representative of segments of the Arctic Ocean margins. The modeling encompasses a range of shallow hydrate deposits from the landward limit of the hydrate stability zone down to water depths beyond the expected range of century-scale temperature changes. We impose temperature changes corresponding to predicted rates of climate change-related ocean warming and examine the possibility of hydrate dissociation and the release of methane. The assessment is performed at local-, regional-, and basin-scales. The simulation results are consistent with the hypothesis that dissociating shallow hydrates alone can result in significant methane fluxes at the seafloor. However, the methane release is likely to be confined to a narrow region of high dissociation susceptibility, defined by depth and temperature, and that any release will be continuous and controlled, rather than explosive. This modeling also establishes the first realistic bounds for methane release along the arctic continental shelf for potential hydrate

  1. HYDRATE v1.5 OPTION OF TOUGH+ v1.5

    Energy Science and Technology Software Center (OSTI)

    2015-08-27

    HYDRATE v1.5 is a numerical code that for the simulation of the behavior of hydrate-bearing geologic systems, and represents the third update of the code since its first release [Moridis et al., 2008]. It is an option of TOUGH+ v1.5 [Moridis and Pruess, 2014], a successor to the TOUGH2 [Pruess et al., 1999, 2012] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. HYDRATE v1.5 needs themore » TOUGH+ v1.5 core code in order to compile and execute. It is written in standard FORTRAN 95/2003, and can be run on any computational platform (workstation, PC, Macintosh) for which such compilers are available. By solving the coupled equations of mass and heat balance, the fully operational TOUGH+HYDRATE code can model the non-isothermal gas release, phase behavior and flow of fluids and heat under conditions typical of common natural CH4-hydrate deposits (i.e., in the permafrost and in deep ocean sediments) in complex geological media at any scale (from laboratory to reservoir) at which Darcy’s law is valid. TOUGH+HYDRATE v1.5 includes both an equilibrium and a kinetic model of hydrate formation and dissociation. The model accounts for heat and up to four mass components, i.e., water, CH4, hydrate, and water-soluble inhibitors such as salts or alcohols. These are partitioned among four possible phases (gas phase, liquid phase, ice phase and hydrate phase). Hydrate dissociation or formation, phase changes and the corresponding thermal effects are fully described, as are the effects of inhibitors. The model can describe all possible hydrate dissociation mechanisms, i.e., depressurization, thermal stimulation, salting-out effects and inhibitor-induced effects.« less

  2. Nuclear Hybrid Energy System Modeling: RELAP5 Dynamic Coupling Capabilities

    SciTech Connect (OSTI)

    Piyush Sabharwall; Nolan Anderson; Haihua Zhao; Shannon Bragg-Sitton; George Mesina

    2012-09-01

    The nuclear hybrid energy systems (NHES) research team is currently developing a dynamic simulation of an integrated hybrid energy system. A detailed simulation of proposed NHES architectures will allow initial computational demonstration of a tightly coupled NHES to identify key reactor subsystem requirements, identify candidate reactor technologies for a hybrid system, and identify key challenges to operation of the coupled system. This work will provide a baseline for later coupling of design-specific reactor models through industry collaboration. The modeling capability addressed in this report focuses on the reactor subsystem simulation.

  3. Network Randomization and Dynamic Defense for Critical Infrastructure Systems

    SciTech Connect (OSTI)

    Chavez, Adrian R.; Martin, Mitchell Tyler; Hamlet, Jason; Stout, William M.S.; Lee, Erik

    2015-04-01

    Critical Infrastructure control systems continue to foster predictable communication paths, static configurations, and unpatched systems that allow easy access to our nation's most critical assets. This makes them attractive targets for cyber intrusion. We seek to address these attack vectors by automatically randomizing network settings, randomizing applications on the end devices themselves, and dynamically defending these systems against active attacks. Applying these protective measures will convert control systems into moving targets that proactively defend themselves against attack. Sandia National Laboratories has led this effort by gathering operational and technical requirements from Tennessee Valley Authority (TVA) and performing research and development to create a proof-of-concept solution. Our proof-of-concept has been tested in a laboratory environment with over 300 nodes. The vision of this project is to enhance control system security by converting existing control systems into moving targets and building these security measures into future systems while meeting the unique constraints that control systems face.

  4. An Optimization Framework for Dynamic Hybrid Energy Systems

    SciTech Connect (OSTI)

    Wenbo Du; Humberto E Garcia; Christiaan J.J. Paredis

    2014-03-01

    A computational framework for the efficient analysis and optimization of dynamic hybrid energy systems (HES) is developed. A microgrid system with multiple inputs and multiple outputs (MIMO) is modeled using the Modelica language in the Dymola environment. The optimization loop is implemented in MATLAB, with the FMI Toolbox serving as the interface between the computational platforms. Two characteristic optimization problems are selected to demonstrate the methodology and gain insight into the system performance. The first is an unconstrained optimization problem that optimizes the dynamic properties of the battery, reactor and generator to minimize variability in the HES. The second problem takes operating and capital costs into consideration by imposing linear and nonlinear constraints on the design variables. The preliminary optimization results obtained in this study provide an essential step towards the development of a comprehensive framework for designing HES.

  5. Meeting Residential Ventilation Standards Through Dynamic Control of Ventilation Systems

    SciTech Connect (OSTI)

    Sherman, Max H.; Walker, Iain S.

    2011-04-01

    Existing ventilation standards, including American Society of Heating, Refrigerating, and Air-conditioning Engineers (ASHRAE) Standard 62.2, specify continuous operation of a defined mechanical ventilation system to provide minimum ventilation, with time-based intermittent operation as an option. This requirement ignores several factors and concerns including: other equipment such as household exhaust fans that might incidentally provide ventilation, negative impacts of ventilation when outdoor pollutant levels are high, the importance of minimizing energy use particularly during times of peak electricity demand, and how the energy used to condition air as part of ventilation system operation changes with outdoor conditions. Dynamic control of ventilation systems can provide ventilation equivalent to or better than what is required by standards while minimizing energy costs and can also add value by shifting load during peak times and reducing intake of outdoor air contaminants. This article describes the logic that enables dynamic control of whole-house ventilation systems to meet the intent of ventilation standards and demonstrates the dynamic ventilation system control concept through simulations and field tests of the Residential Integrated Ventilation-Energy Controller (RIVEC).

  6. A molecular dynamics study of polymer/graphene interfacial systems

    SciTech Connect (OSTI)

    Rissanou, Anastassia N.; Harmandaris, Vagelis

    2014-05-15

    Graphene based polymer nanocomposites are hybrid materials with a very broad range of technological applications. In this work, we study three hybrid polymer/graphene interfacial systems (polystyrene/graphene, poly(methyl methacrylate)/graphene and polyethylene/graphene) through detailed atomistic molecular dynamics (MD) simulations. Density profiles, structural characteristics and mobility aspects are being examined at the molecular level for all model systems. In addition, we compare the properties of the hybrid systems to the properties of the corresponding bulk ones, as well as to theoretical predictions.

  7. Simulating the Dynamic Coupling of Market and Physical System Operations

    SciTech Connect (OSTI)

    Widergren, Steven E.; Roop, Joseph M.; Guttromson, Ross T.; Huang, Zhenyu

    2004-06-01

    Abstract-As energy trading products cover shorter time periods and demand response programs move toward real-time pricing, financial market-based activity impacts ever more directly the physical operation of the system. To begin to understand the complex interactions between the market-driven operation signals, the engineered controlled schemes, and the laws of physics, new system modeling and simulation techniques must be explored. This discussion describes requirements for new simulation tools to address such market transaction control interactions and an approach to capture the dynamic coupling between energy markets and the physical operation of the power system appropriate for dispatcher reaction time frames.

  8. Development of Alaskan gas hydrate resources

    SciTech Connect (OSTI)

    Kamath, V.A.; Sharma, G.D.; Patil, S.L.

    1991-06-01

    The research undertaken in this project pertains to study of various techniques for production of natural gas from Alaskan gas hydrates such as, depressurization, injection of hot water, steam, brine, methanol and ethylene glycol solutions through experimental investigation of decomposition characteristics of hydrate cores. An experimental study has been conducted to measure the effective gas permeability changes as hydrates form in the sandpack and the results have been used to determine the reduction in the effective gas permeability of the sandpack as a function of hydrate saturation. A user friendly, interactive, menu-driven, numerical difference simulator has been developed to model the dissociation of natural gas hydrates in porous media with variable thermal properties. A numerical, finite element simulator has been developed to model the dissociation of hydrates during hot water injection process.

  9. May 15, 2014 Methane Hydrates Committee Meeting Agenda | Department of

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

    Energy May 15, 2014 Methane Hydrates Committee Meeting Agenda May 15, 2014 Methane Hydrates Committee Meeting Agenda May 15, 2014 Methane Hydrates Committee Meeting Agenda Meeting Agenda (443.71 KB) More Documents & Publications Advisory Committee Meeting Minutes, May 7, 2015 Methane Hydrate Program Reports Report of the Task Force on Methane Hydrates

  10. Methane Hydrate Program Annual Report to Congress

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

    FY 2010 Methane Hydrate Program Annual Report to Congress September 2011 U.S. Department of ENERGY United States Department of Energy Washington, DC 20585 Department of Energy | September 2011 FY 2010 Methane Hydrate Program Annual Report to Congress | Page 2 Message from the Secretary Section 968 of the Energy Policy Act of 2005 requires the Department of Energy to submit to Congress an annual report on the results of methane hydrate research. I am pleased to submit the enclosed report

  11. Physical Properties of Gas Hydrates: A Review

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

    Gabitto, Jorge F.; Tsouris, Costas

    2010-01-01

    Memore » thane gas hydrates in sediments have been studied by several investigators as a possible future energy resource. Recent hydrate reserves have been estimated at approximately 10 16   m 3 of methane gas worldwide at standard temperature and pressure conditions. In situ dissociation of natural gas hydrate is necessary in order to commercially exploit the resource from the natural-gas-hydrate-bearing sediment. The presence of gas hydrates in sediments dramatically alters some of the normal physical properties of the sediment. These changes can be detected by field measurements and by down-hole logs. An understanding of the physical properties of hydrate-bearing sediments is necessary for interpretation of geophysical data collected in field settings, borehole, and slope stability analyses; reservoir simulation; and production models. This work reviews information available in literature related to the physical properties of sediments containing gas hydrates. A brief review of the physical properties of bulk gas hydrates is included. Detection methods, morphology, and relevant physical properties of gas-hydrate-bearing sediments are also discussed.« less

  12. Stochastic dynamics of a delayed bistable system with multiplicative noise

    SciTech Connect (OSTI)

    Dung, Nguyen Tien E-mail: dungnt@fpt.edu.vn

    2014-05-15

    In this paper we investigate the properties of a delayed bistable system under the effect of multiplicative noise. We first prove the existence and uniqueness of the positive solution and show that its moments are uniformly bounded. Then, we study stochastic dynamics of the solution in long time, the lower and upper bounds for the paths and an estimate for the average value are provided.

  13. Small Stirling dynamic isotope power system for robotic space missions

    SciTech Connect (OSTI)

    Bents, D.J.

    1992-08-01

    The design of a multihundred-watt Dynamic Isotope Power System (DIPS), based on the US Department of Energy (DOE) General Purpose Heat Source (GPHS) and small (multihundred-watt) free-piston Stirling engine (FPSE), is being pursued as a potential lower cost alternative to radioisotope thermoelectric generators (RTG's). The design is targeted at the power needs of future unmanned deep space and planetary surface exploration missions ranging from scientific probes to Space Exploration Initiative precursor missions. Power level for these missions is less than a kilowatt. The incentive for any dynamic system is that it can save fuel and reduce costs and radiological hazard. Unlike DIPS based on turbomachinery conversion (e.g. Brayton), this small Stirling DIPS can be advantageously scaled to multihundred-watt unit size while preserving size and mass competitiveness with RTG's. Stirling conversion extends the competitive range for dynamic systems down to a few hundred watts--a power level not previously considered for dynamic systems. The challenge for Stirling conversion will be to demonstrate reliability and life similar to RTG experience. Since the competitive potential of FPSE as an isotope converter was first identified, work has focused on feasibility of directly integrating GPHS with the Stirling heater head. Thermal modeling of various radiatively coupled heat source/heater head geometries has been performed using data furnished by the developers of FPSE and GPHS. The analysis indicates that, for the 1050 K heater head configurations considered, GPHS fuel clad temperatures remain within acceptable operating limits. Based on these results, preliminary characterizations of multihundred-watt units have been established.

  14. Hydration of Kr(aq) in dilute and concentrated solutions

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

    Chaudhari, Mangesh I.; Sabo, Dubravko; Pratt, Lawrence R.; Rempe, Susan B.

    2014-10-13

    Molecular dynamics simulations of water with both multi-Kr and single Kr atomic solutes are carried out to implement quasi-chemical theory evaluation of the hydration free energy of Kr(aq). This approach obtains free energy differences reflecting Kr–Kr interactions at higher concentrations. Those differences are negative changes in hydration free energies with increasing concentrations at constant pressure. The changes are due to a slight reduction of packing contributions in the higher concentration case. The observed Kr–Kr distributions, analyzed with the extrapolation procedure of Krüger et al., yield a modestly attractive osmotic second virial coefficient, B2 ≈ -60 cm3/mol. Moreover, the thermodynamic analysismore » interconnecting these two approaches shows that they are closely consistent with each other, providing support for both approaches.« less

  15. Dynamic Operations Wayfinding System (DOWS) for Nuclear Power Plants

    SciTech Connect (OSTI)

    Boring, Ronald Laurids; Ulrich, Thomas Anthony; Lew, Roger Thomas

    2015-08-01

    A novel software tool is proposed to aid reactor operators in respond- ing to upset plant conditions. The purpose of the Dynamic Operations Wayfind- ing System (DOWS) is to diagnose faults, prioritize those faults, identify paths to resolve those faults, and deconflict the optimal path for the operator to fol- low. The objective of DOWS is to take the guesswork out of the best way to combine procedures to resolve compound faults, mitigate low threshold events, or respond to severe accidents. DOWS represents a uniquely flexible and dy- namic computer-based procedure system for operators.

  16. The Structure and Transport of Water and Hydrated Ions Within Hydrophobic, Nanoscale Channels

    SciTech Connect (OSTI)

    Holt, J K; Herberg, J L; Wu, Y; Schwegler, E; Mehta, A

    2009-06-15

    The purpose of this project includes an experimental and modeling investigation into water and hydrated ion structure and transport at nanomaterials interfaces. This is a topic relevant to understanding the function of many biological systems such as aquaporins that efficiently shuttle water and ion channels that permit selective transport of specific ions across cell membranes. Carbon nanotubes (CNT) are model nanoscale, hydrophobic channels that can be functionalized, making them artificial analogs for these biological channels. This project investigates the microscopic properties of water such as water density distributions and dynamics within CNTs using Nuclear Magnetic Resonance (NMR) and the structure of hydrated ions at CNT interfaces via X-ray Absorption Spectroscopy (XAS). Another component of this work is molecular simulation, which can predict experimental measurables such as the proton relaxation times, chemical shifts, and can compute the electronic structure of CNTs. Some of the fundamental questions this work is addressing are: (1) what is the length scale below which nanoscale effects such as molecular ordering become important, (2) is there a relationship between molecular ordering and transport?, and (3) how do ions interact with CNT interfaces? These are questions of interest to the scientific community, but they also impact the future generation of sensors, filters, and other devices that operate on the nanometer length scale. To enable some of the proposed applications of CNTs as ion filtration media and electrolytic supercapacitors, a detailed knowledge of water and ion structure at CNT interfaces is critical.

  17. Coupled Dynamic Modeling of Floating Wind Turbine Systems: Preprint

    SciTech Connect (OSTI)

    Wayman, E. N.; Sclavounos, P. D.; Butterfield, S.; Jonkman, J.; Musial, W.

    2006-03-01

    This article presents a collaborative research program that the Massachusetts Institute of Technology (MIT) and the National Renewable Energy Laboratory (NREL) have undertaken to develop innovative and cost-effective floating and mooring systems for offshore wind turbines in water depths of 10-200 m. Methods for the coupled structural, hydrodynamic, and aerodynamic analysis of floating wind turbine systems are presented in the frequency domain. This analysis was conducted by coupling the aerodynamics and structural dynamics code FAST [4] developed at NREL with the wave load and response simulation code WAMIT (Wave Analysis at MIT) [15] developed at MIT. Analysis tools were developed to consider coupled interactions between the wind turbine and the floating system. These include the gyroscopic loads of the wind turbine rotor on the tower and floater, the aerodynamic damping introduced by the wind turbine rotor, the hydrodynamic damping introduced by wave-body interactions, and the hydrodynamic forces caused by wave excitation. Analyses were conducted for two floater concepts coupled with the NREL 5-MW Offshore Baseline wind turbine in water depths of 10-200 m: the MIT/NREL Shallow Drafted Barge (SDB) and the MIT/NREL Tension Leg Platform (TLP). These concepts were chosen to represent two different methods of achieving stability to identify differences in performance and cost of the different stability methods. The static and dynamic analyses of these structures evaluate the systems' responses to wave excitation at a range of frequencies, the systems' natural frequencies, and the standard deviations of the systems' motions in each degree of freedom in various wind and wave environments. This article in various wind and wave environments. This article explores the effects of coupling the wind turbine with the floating platform, the effects of water depth, and the effects of wind speed on the systems' performance. An economic feasibility analysis of the two concepts

  18. New Methane Hydrate Research: Investing in Our Energy Future...

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

    New Methane Hydrate Research: Investing in Our Energy Future New Methane Hydrate Research: Investing in Our Energy Future August 31, 2012 - 1:37pm Addthis Methane hydrates are 3D ...

  19. Multi-property characterization chamber for geophysical-hydrological investigations of hydrate bearing sediments

    SciTech Connect (OSTI)

    Seol, Yongkoo Choi, Jeong-Hoon; Dai, Sheng

    2014-08-01

    With the increase in the interest of producing natural gas from methane hydrates as well as potential risks of massive hydrate dissociation in the context of global warming, studies have recently shifted from pure hydrate crystals to hydrates in sediments. Such a research focus shift requires a series of innovative laboratory devices that are capable of investigating various properties of hydrate-bearing sediments (HBS). This study introduces a newly developed high pressure testing chamber, i.e., multi-property characterization chamber (MPCC), that allows simultaneous investigation of a series of fundamental properties of HBS, including small-strain stiffness (i.e., P- and S-waves), shear strength, large-strain deformation, stress-volume responses, and permeability. The peripheral coolant circulation system of the MPCC permits stable and accurate temperature control, while the core holder body, made of aluminum, enables X-ray computer tomography scanning to be easily employed for structural and morphological characterization of specimens. Samples of hydrate-bearing sediments are held within a rubber sleeve inside the chamber. The thick sleeve is more durable and versatile than thin membranes while also being much softer than oedometer-type chambers that are incapable of enabling flow tests. Bias introduced by the rubber sleeve during large deformation tests are also calibrated both theoretically and experimentally. This system provides insight into full characterization of hydrate-bearing sediments in the laboratory, as well as pressure core technology in the field.

  20. Time lagged ordinal partition networks for capturing dynamics of continuous dynamical systems

    SciTech Connect (OSTI)

    McCullough, Michael; Iu, Herbert Ho-Ching; Small, Michael; Stemler, Thomas

    2015-05-15

    We investigate a generalised version of the recently proposed ordinal partition time series to network transformation algorithm. First, we introduce a fixed time lag for the elements of each partition that is selected using techniques from traditional time delay embedding. The resulting partitions define regions in the embedding phase space that are mapped to nodes in the network space. Edges are allocated between nodes based on temporal succession thus creating a Markov chain representation of the time series. We then apply this new transformation algorithm to time series generated by the Rssler system and find that periodic dynamics translate to ring structures whereas chaotic time series translate to band or tube-like structuresthereby indicating that our algorithm generates networks whose structure is sensitive to system dynamics. Furthermore, we demonstrate that simple network measures including the mean out degree and variance of out degrees can track changes in the dynamical behaviour in a manner comparable to the largest Lyapunov exponent. We also apply the same analysis to experimental time series generated by a diode resonator circuit and show that the network size, mean shortest path length, and network diameter are highly sensitive to the interior crisis captured in this particular data set.

  1. Assessment of dynamic energy conversion systems for radioisotope heat sources

    SciTech Connect (OSTI)

    Thayer, G.R.; Mangeng, C.A.

    1985-06-01

    The use of dynamic conversion systems to convert the heat generated in a 7500 W(t) 90 Sr radioisotopic heat source to electricity is examined. The systems studies were Stirling; Brayton Cycle; three organic Rankines (ORCs) (Barber-Nichols/ORMAT, Sundstrand, and TRW); and an organic Rankine plus thermoelectrics. The systems were ranked for a North Warning System mission using a Los Alamos Multiattribute Decision Theory code. Three different heat source designs were used: case I with a beginning of life (BOL) source temperature of 640 C, case II with a BOL source temperature of 745/sup 0/C, and case III with a BOL source temperature of 945/sup 0/C. The Stirling engine system was the top-ranked system of cases I and II, closely followed by the ORC systems in case I and ORC plus thermoelectrics in case II. The Brayton cycle system was top-ranked for case III, with the Stirling engine system a close second. The use of /sup 238/Pu in heat source sizes of 7500 W(t) was examined and found to be questionable because of cost and material availability and because of additional requirements for analysis of safeguards and critical mass.

  2. International Cooperation in Methane Hydrates | Department of Energy

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

    Oil & Gas » Methane Hydrate » International Cooperation in Methane Hydrates International Cooperation in Methane Hydrates In 1982 the multi-national Deep Sea Drilling Program (DSDP) recovered the first subsea substantial methane hydrate deposits, which spurred methane hydrate research in the US and other countries. The successor programs, the Ocean Drilling Program (ODP) and the Integrated Ocean Drilling Program (IODP) sampled hydrate deposits off Oregon (ODP 204, 2002) and in the Cascadia

  3. System and method for reducing combustion dynamics in a combustor

    DOE Patents [OSTI]

    Uhm, Jong Ho; Johnson, Thomas Edward; Zuo, Baifang; York, William David

    2013-08-20

    A system for reducing combustion dynamics in a combustor includes an end cap having an upstream surface axially separated from a downstream surface, and tube bundles extend through the end cap. A diluent supply in fluid communication with the end cap provides diluent flow to the end cap. Diluent distributors circumferentially arranged inside at least one tube bundle extend downstream from the downstream surface and provide fluid communication for the diluent flow through the end cap. A method for reducing combustion dynamics in a combustor includes flowing fuel through tube bundles that extend axially through an end cap, flowing a diluent through diluent distributors into a combustion chamber, wherein the diluent distributors are circumferentially arranged inside at least one tube bundle and each diluent distributor extends downstream from the end cap, and forming a diluent barrier in the combustion chamber between at least one pair of adjacent tube bundles.

  4. System and method for reducing combustion dynamics in a combustor

    DOE Patents [OSTI]

    Uhm, Jong Ho; Johnson, Thomas Edward; Zuo, Baifang; York, William David

    2015-09-01

    A system for reducing combustion dynamics in a combustor includes an end cap having an upstream surface axially separated from a downstream surface, and tube bundles extend from the upstream surface through the downstream surface. A divider inside a tube bundle defines a diluent passage that extends axially through the downstream surface, and a diluent supply in fluid communication with the divider provides diluent flow to the diluent passage. A method for reducing combustion dynamics in a combustor includes flowing a fuel through tube bundles, flowing a diluent through a diluent passage inside a tube bundle, wherein the diluent passage extends axially through at least a portion of the end cap into a combustion chamber, and forming a diluent barrier in the combustion chamber between the tube bundle and at least one other adjacent tube bundle.

  5. Extended space expectation values in quantum dynamical system evolutions

    SciTech Connect (OSTI)

    Demiralp, Metin

    2014-10-06

    The time variant power series expansion for the expectation value of a given quantum dynamical operator is well-known and well-investigated issue in quantum dynamics. However, depending on the operator and Hamiltonian singularities this expansion either may not exist or may not converge for all time instances except the beginning of the evolution. This work focuses on this issue and seeks certain cures for the negativities. We work in the extended space obtained by adding all images of the initial wave function under the system Hamiltonians positive integer powers. This requires the introduction of certain appropriately defined weight operators. The resulting better convergence in the temporal power series urges us to call the new defined entities extended space expectation values even though they are constructed over certain weight operators and are somehow pseudo expectation values.

  6. Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model Citation Details In-Document Search Title: Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model ...

  7. Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model Earl D. Mattson; Larry Hull; Kara Cafferty 02 PETROLEUM Water Water A system dynamic model was construction...

  8. OTEC Cold Water Pipe-Platform Sub-System Dynamic Interaction...

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

    OTEC Cold Water Pipe-Platform Sub-System Dynamic Interaction Validation (OPPSDIV) OTEC Cold Water Pipe-Platform Sub-System Dynamic Interaction Validation (OPPSDIV) OTEC Cold Water ...

  9. Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model Citation Details In-Document Search Title: Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics ...

  10. Methane Hydrate Advisory Committee Meetings | Department of Energy

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

    Meetings Methane Hydrate Advisory Committee Meetings May 7, 2015 Advisory Committee ... Federal Register Notice for May 15, 2014 Meeting Methane Hydrates Committee Meeting Agenda ...

  11. Methane Hydrate Advisory Committee Meeting Minutes, October 2011...

    Office of Environmental Management (EM)

    October 2011 Methane Hydrate Advisory Committee Meeting Minutes, October 2011 Methane Hydrate Advisory Committee Meeting Minutes October 2011 Washington, DC PDF icon Advisory...

  12. Methane Hydrate Advisory Committee Meeting Minutes, January 2010...

    Broader source: Energy.gov (indexed) [DOE]

    0 Atlanta, GA Methane Hydrate Advisory Committee Meeting Minutes, January 2010 More Documents & Publications Methane Hydrate Advisory Committee Meeting Minutes, March 2010 Methane...

  13. Data from Innovative Methane Hydrate Test on Alaska's North Slope...

    Office of Environmental Management (EM)

    Data from Innovative Methane Hydrate Test on Alaska's North Slope Now Available on NETL Website Data from Innovative Methane Hydrate Test on Alaska's North Slope Now Available on ...

  14. FROZEN HEAT A GLOBAL OUTLOOK ON METHANE GAS HYDRATES EXECUTIVE...

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

    ... Many countries have begun to explore alternative energy sources, including so- called ... What Role Do Gas Hydrates Play in Nature? Theme 2 Gas Hydrates as a Potential Energy ...

  15. METHANE HYDRATE PRODUCTION FROM ALASKAN PERMAFROST

    SciTech Connect (OSTI)

    Donn McGuire; Steve Runyon; Richard Sigal; Bill Liddell; Thomas Williams; George Moridis

    2005-02-01

    Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrate potential agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. This gas-hydrate project is in the final stages of a cost-shared partnership between Maurer Technology, Noble Corporation, Anadarko Petroleum, and the U.S. Department of Energy's Methane Hydrate R&D program. The purpose of the project is to build on previous and ongoing R&D in the area of onshore hydrate deposition to identify, quantify and predict production potential for hydrates located on the North Slope of Alaska. Hot Ice No. 1 was planned to test the Ugnu and West Sak sequences for gas hydrates and a concomitant free gas accumulation on Anadarko's 100% working interest acreage in section 30 of Township 9N, Range 8E of the Harrison Bay quadrangle of the North Slope of Alaska. The Ugnu and West Sak intervals are favorably positioned in the hydrate-stability zone over an area extending from Anadarko's acreage westward to the vicinity of the aforementioned gas-hydrate occurrences. This suggests that a large, north-to-south trending gas-hydrate accumulation may exist in that area. The presence of gas shows in the Ugnu and West Sak reservoirs in wells situated eastward and down dip of the Hot Ice location indicate that a free-gas accumulation may be trapped by gas hydrates. The Hot Ice No. 1 well was designed to core from the surface to the base of the West Sak interval using the revolutionary and new

  16. Overview on Hydrate Coring, Handling and Analysis

    SciTech Connect (OSTI)

    Jon Burger; Deepak Gupta; Patrick Jacobs; John Shillinglaw

    2003-06-30

    Gas hydrates are crystalline, ice-like compounds of gas and water molecules that are formed under certain thermodynamic conditions. Hydrate deposits occur naturally within ocean sediments just below the sea floor at temperatures and pressures existing below about 500 meters water depth. Gas hydrate is also stable in conjunction with the permafrost in the Arctic. Most marine gas hydrate is formed of microbially generated gas. It binds huge amounts of methane into the sediments. Worldwide, gas hydrate is estimated to hold about 1016 kg of organic carbon in the form of methane (Kvenvolden et al., 1993). Gas hydrate is one of the fossil fuel resources that is yet untapped, but may play a major role in meeting the energy challenge of this century. In June 2002, Westport Technology Center was requested by the Department of Energy (DOE) to prepare a ''Best Practices Manual on Gas Hydrate Coring, Handling and Analysis'' under Award No. DE-FC26-02NT41327. The scope of the task was specifically targeted for coring sediments with hydrates in Alaska, the Gulf of Mexico (GOM) and from the present Ocean Drilling Program (ODP) drillship. The specific subjects under this scope were defined in 3 stages as follows: Stage 1: Collect information on coring sediments with hydrates, core handling, core preservation, sample transportation, analysis of the core, and long term preservation. Stage 2: Provide copies of the first draft to a list of experts and stakeholders designated by DOE. Stage 3: Produce a second draft of the manual with benefit of input from external review for delivery. The manual provides an overview of existing information available in the published literature and reports on coring, analysis, preservation and transport of gas hydrates for laboratory analysis as of June 2003. The manual was delivered as draft version 3 to the DOE Project Manager for distribution in July 2003. This Final Report is provided for records purposes.

  17. METHANE HYDRATE PRODUCTION FROM ALASKAN PERMAFROST

    SciTech Connect (OSTI)

    Thomas E. Williams; Keith Millheim; Bill Liddell

    2005-03-01

    Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Oil-field engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in Arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrates agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. This gas-hydrate project is a cost-shared partnership between Maurer Technology, Anadarko Petroleum, Noble Corporation, and the U.S. Department of Energy's Methane Hydrate R&D program. The purpose of the project is to build on previous and ongoing R&D in the area of onshore hydrate deposition to help identify, quantify and predict production potential for hydrates located on the North Slope of Alaska. As part of the project work scope, team members drilled and cored the HOT ICE No. 1 on Anadarko leases beginning in January 2003 and completed in March 2004. Due to scheduling constraints imposed by the Arctic drilling season, operations at the site were suspended between April 21, 2003 and January 30, 2004. An on-site core analysis laboratory was designed, constructed and used for determining physical characteristics of frozen core immediately after it was retrieved from the well. The well was drilled from a new and innovative Anadarko Arctic Platform that has a greatly reduced footprint and environmental impact. Final efforts of the project were to correlate geology, geophysics, logs, and drilling and production data and provide this information to scientists for future hydrate operations. Unfortunately, no gas hydrates were encountered in this well; however, a wealth of information was generated and is

  18. METHANE HYDRATE PRODUCTION FROM ALASKAN PERMAFROST

    SciTech Connect (OSTI)

    Thomas E. Williams; Keith Millheim; Buddy King

    2004-06-01

    Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrate potential agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. This gas-hydrate project is in the final stages of a cost shared partnership between Maurer Technology, Noble Corporation, Anadarko Petroleum, and the U.S. Department of Energy's Methane Hydrate R&D program. The purpose of the project is to build on previous and ongoing R&D in the area of onshore hydrate deposition to identify, quantify and predict production potential for hydrates located on the North Slope of Alaska. The work scope drilled and cored a well The HOT ICE No.1 on Anadarko leases beginning in FY 2003 and completed in 2004. An on-site core analysis laboratory was built and utilized for determining the physical characteristics of the hydrates and surrounding rock. The well was drilled from a new Anadarko Arctic Platform that has a minimal footprint and environmental impact. The final efforts of the project are to correlate geology, geophysics, logs, and drilling and production data and provide this information to scientists developing reservoir models. No gas hydrates were encountered in this well; however, a wealth of information was generated and is contained in this report.

  19. Best practices for system dynamics model design and construction with powersim studio.

    SciTech Connect (OSTI)

    Malczynski, Leonard A.

    2011-06-01

    This guide addresses software quality in the construction of Powersim{reg_sign} Studio 8 system dynamics simulation models. It is the result of almost ten years of experience with the Powersim suite of system dynamics modeling tools (Constructor and earlier Studio versions). It is a guide that proposes a common look and feel for the construction of Powersim Studio system dynamics models.

  20. Dynamic Non-Hierarchical File Systems for Exascale Storage

    SciTech Connect (OSTI)

    Long, Darrell E.; Miller, Ethan L

    2015-02-24

    This constitutes the final report for “Dynamic Non-Hierarchical File Systems for Exascale Storage”. The ultimate goal of this project was to improve data management in scientific computing and high-end computing (HEC) applications, and to achieve this goal we proposed: to develop the first, HEC-targeted, file system featuring rich metadata and provenance collection, extreme scalability, and future storage hardware integration as core design goals, and to evaluate and develop a flexible non-hierarchical file system interface suitable for providing more powerful and intuitive data management interfaces to HEC and scientific computing users. Data management is swiftly becoming a serious problem in the scientific community – while copious amounts of data are good for obtaining results, finding the right data is often daunting and sometimes impossible. Scientists participating in a Department of Energy workshop noted that most of their time was spent “...finding, processing, organizing, and moving data and it’s going to get much worse”. Scientists should not be forced to become data mining experts in order to retrieve the data they want, nor should they be expected to remember the naming convention they used several years ago for a set of experiments they now wish to revisit. Ideally, locating the data you need would be as easy as browsing the web. Unfortunately, existing data management approaches are usually based on hierarchical naming, a 40 year-old technology designed to manage thousands of files, not exabytes of data. Today’s systems do not take advantage of the rich array of metadata that current high-end computing (HEC) file systems can gather, including content-based metadata and provenance1 information. As a result, current metadata search approaches are typically ad hoc and often work by providing a parallel management system to the “main” file system, as is done in Linux (the locate utility), personal computers, and enterprise search

  1. StreamWorks - A system for Dynamic Graph Search

    SciTech Connect (OSTI)

    Choudhury, Sutanay; Holder, Larry; Chin, George; Ray, Abhik; Beus, Sherman J.; Feo, John T.

    2013-06-11

    Acting on time-critical events by processing ever growing social media, news or cyber data streams is a major technical challenge. Many of these data sources can be modeled as multi-relational graphs. Mining and searching for subgraph patterns in a continuous setting requires an efficient approach to incremental graph search. The goal of our work is to enable real-time search capabilities for graph databases. This demonstration will present a dynamic graph query system that leverages the structural and semantic characteristics of the underlying multi-relational graph.

  2. Dynamic Systems Analysis Report for Nuclear Fuel Recycle

    SciTech Connect (OSTI)

    Brent Dixon; Sonny Kim; David Shropshire; Steven Piet; Gretchen Matthern; Bill Halsey

    2008-12-01

    This report examines the time-dependent dynamics of transitioning from the current United States (U.S.) nuclear fuel cycle where used nuclear fuel is disposed in a repository to a closed fuel cycle where the used fuel is recycled and only fission products and waste are disposed. The report is intended to help inform policy developers, decision makers, and program managers of system-level options and constraints as they guide the formulation and implementation of advanced fuel cycle development and demonstration efforts and move toward deployment of nuclear fuel recycling infrastructure.

  3. Methane Recovery from Hydrate-bearing Sediments

    SciTech Connect (OSTI)

    J. Carlos Santamarina; Costas Tsouris

    2011-04-30

    Gas hydrates are crystalline compounds made of gas and water molecules. Methane hydrates are found in marine sediments and permafrost regions; extensive amounts of methane are trapped in the form of hydrates. Methane hydrate can be an energy resource, contribute to global warming, or cause seafloor instability. This study placed emphasis on gas recovery from hydrate bearing sediments and related phenomena. The unique behavior of hydrate-bearing sediments required the development of special research tools, including new numerical algorithms (tube- and pore-network models) and experimental devices (high pressure chambers and micromodels). Therefore, the research methodology combined experimental studies, particle-scale numerical simulations, and macro-scale analyses of coupled processes. Research conducted as part of this project started with hydrate formation in sediment pores and extended to production methods and emergent phenomena. In particular, the scope of the work addressed: (1) hydrate formation and growth in pores, the assessment of formation rate, tensile/adhesive strength and their impact on sediment-scale properties, including volume change during hydrate formation and dissociation; (2) the effect of physical properties such as gas solubility, salinity, pore size, and mixed gas conditions on hydrate formation and dissociation, and it implications such as oscillatory transient hydrate formation, dissolution within the hydrate stability field, initial hydrate lens formation, and phase boundary changes in real field situations; (3) fluid conductivity in relation to pore size distribution and spatial correlation and the emergence of phenomena such as flow focusing; (4) mixed fluid flow, with special emphasis on differences between invading gas and nucleating gas, implications on relative gas conductivity for reservoir simulations, and gas recovery efficiency; (5) identification of advantages and limitations in different gas production strategies with

  4. Determining the role of hydration forces in protein folding

    SciTech Connect (OSTI)

    Sorenson, J.M. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry] [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Hura, G. [Univ. of California, Berkeley, CA (United States)] [Univ. of California, Berkeley, CA (United States); [Lawrence Berkeley National Lab., CA (United States). Life Sciences Div.; Soper, A.K. [Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Facility] [Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Facility; Pertsemlidis, A. [Univ. of Texas Southwestern Medical Center, Dallas, TX (United States). Dept. of Biochemistry] [Univ. of Texas Southwestern Medical Center, Dallas, TX (United States). Dept. of Biochemistry; Head-Gordon, T. [Lawrence Berkeley National Lab., CA (United States)] [Lawrence Berkeley National Lab., CA (United States)

    1999-07-01

    One of the primary issues in protein folding is determining what forces drive folding and eventually stabilize the native state. A delicate balance exists between electrostatic forces such as hydrogen bonding and salt bridges, and the hydrophobic effect, which are present for both intramolecular protein interactions and intermolecular contributions with the surrounding aqueous environment. This article describes a combined experimental, theoretical, and computational effort to show how the complexity of aqueous hydration can influence the structure, folding and aggregation, and stability of model protein systems. The unification of the theoretical and experimental work is the development or discovery of effective amino acid interactions that implicitly include the effects of aqueous solvent. The authors show that consideration of the full range of complexity of aqueous hydration forces such as many-body effects, long-ranged character of aqueous solvation, and the assumptions made about the degree of protein hydrophobicity can directly impact the observed structure, folding, and stability of model protein systems.

  5. Dynamics of micelle-nanoparticle systems undergoing shear: a coarse-grained molecular dynamics approach

    SciTech Connect (OSTI)

    Rolfe, Bryan A.; Chun, Jaehun; Joo, Yong L.

    2013-09-05

    Recent experimental work has shown that polymeric micelles can template nanoparticles via interstitial sites in shear-ordered micelle solutions. In the current study, we report simulation results based on a coarse-grained molecular dynamics (CGMD) model of a solvent/polymer/nanoparticle system. Our results demonstrate the importance of polymer concentration and the micelle corona length in 2D shear-ordering of neat block copolymer solutions. Although our results do not show strong 3D ordering during shear, we find that cessation of shear allows the system to relax into a 3D configuration of greater order than without shear. It is further shown that this post-shear relaxation is strongly dependent on the length of the micelle corona. For the first time, we demonstrate the presence and importance of a flow disturbance surrounding micelles in simple shear flow at moderate Pclet numbers. This disturbance is similar to what is observed around simulated star polymers and ellipsoids. The extent of the flow disturbance increases as expected with a longer micelle corona length. It is further suggested that without proper consideration of these dynamics, a stable nanoparticle configuration would be difficult to obtain.

  6. Dynamics of a Two-Dimensional System of Quantum Dipoles

    SciTech Connect (OSTI)

    Mazzanti, F.; Astrakharchik, G. E.; Boronat, J.; Zillich, R. E.

    2009-03-20

    A detailed microscopic analysis of the dynamic structure function S(k,{omega}) of a two-dimensional Bose system of dipoles polarized along the direction perpendicular to the plane is presented and discussed. Starting from ground-state quantities obtained using a quantum diffusion Monte Carlo algorithm, the density-density response is evaluated in the context of the correlated basis functions (CBF) theory. CBF predicts a sharp peak and a multiexcitation component at higher energies produced by the decay of excitations. We discuss the structure of the phonon-roton peak and show that the Feynman and Bogoliubov predictions depart from the CBF result already at low densities. We finally discuss the emergence of a roton in the spectrum, but find the roton energy not low enough to make the system unstable under density fluctuations up to the highest density considered that is close to the freezing point.

  7. Systems Dynamic ToolBox for Water Resource Planning

    Energy Science and Technology Software Center (OSTI)

    2006-08-01

    The Fully Integrated System Dynamics Tookbox for Water Resources Planning (Toolbox) is a library of generic modules intended to assist in water management planning and decision making in watersheds around the world. The modules - built in a commercially available modeling environment called Powersim Studio Expert, represent the different sub-systems ina watershed, including population, agriculture, economics, climate, reservoirs, stream flows, and fish populations, and provides generic building blocks with which complex models of complex modelsmore » of complex watersheds can be assembled. The resulting models provide a tool for observing how research management decision made in one sector of a basin can affect other sectors. Improved water resource management contributes to improved public health, economic development, ecological sustainability, and overall security and stability.« less

  8. Gas Hydrates Research Programs: An International Review

    SciTech Connect (OSTI)

    Jorge Gabitto; Maria Barrufet

    2009-12-09

    Gas hydrates sediments have the potential of providing a huge amount of natural gas for human use. Hydrate sediments have been found in many different regions where the required temperature and pressure conditions have been satisfied. Resource exploitation is related to the safe dissociation of the gas hydrate sediments. Basic depressurization techniques and thermal stimulation processes have been tried in pilot efforts to exploit the resource. There is a growing interest in gas hydrates all over the world due to the inevitable decline of oil and gas reserves. Many different countries are interested in this valuable resource. Unsurprisingly, developed countries with limited energy resources have taken the lead in worldwide gas hydrates research and exploration. The goal of this research project is to collect information in order to record and evaluate the relative strengths and goals of the different gas hydrates programs throughout the world. A thorough literature search about gas hydrates research activities has been conducted. The main participants in the research effort have been identified and summaries of their past and present activities reported. An evaluation section discussing present and future research activities has also been included.

  9. METHANE HYDRATE PRODUCTION FROM ALASKAN PERMAFROST

    SciTech Connect (OSTI)

    Thomas E. Williams; Keith Millheim; Buddy King

    2004-03-01

    Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrate potential agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. This gas-hydrate project is in the second year of a three-year endeavor being sponsored by Maurer Technology, Noble, and Anadarko Petroleum, in partnership with the DOE. The purpose of the project is to build on previous and ongoing R&D in the area of onshore hydrate deposition. We plan to identify, quantify and predict production potential for hydrates located on the North Slope of Alaska. We also plan to design and implement a program to safely and economically drill, core and produce gas from arctic hydrates. The current work scope is to drill and core a well on Anadarko leases in FY 2003 and 2004. We are also using an on-site core analysis laboratory to determine some of the physical characteristics of the hydrates and surrounding rock. The well is being drilled from a new Anadarko Arctic Platform that will have minimal footprint and environmental impact. We hope to correlate geology, geophysics, logs, and drilling and production data to allow reservoir models to be calibrated. Ultimately, our goal is to form an objective technical and economic evaluation of reservoir potential in Alaska.

  10. Department of Energy Advance Methane Hydrates Science and Technology Projects

    Broader source: Energy.gov [DOE]

    Descriptions for Energy Department Methane Hydrates Science and Technology Projects, August 31, 2012

  11. Dark halos and elliptical galaxies as marginally stable dynamical systems

    SciTech Connect (OSTI)

    El Zant, A. A.

    2013-12-10

    The origin of equilibrium gravitational configurations is sought in terms of the stability of their trajectories, as described by the curvature of their Lagrangian configuration manifold of particle positionsa context in which subtle spurious effects originating from the singularity in the two-body potential become particularly clear. We focus on the case of spherical systems, which support only regular orbits in the collisionless limit, despite the persistence of local exponential instability of N-body trajectories in the anomalous case of discrete point particle representation even as N ? ?. When the singularity in the potential is removed, this apparent contradiction disappears. In the absence of fluctuations, equilibrium configurations generally correspond to positive scalar curvature and thus support stable trajectories. A null scalar curvature is associated with an effective, averaged equation of state describing dynamically relaxed equilibria with marginally stable trajectories. The associated configurations are quite similar to those of observed elliptical galaxies and simulated cosmological halos and are necessarily different from the systems dominated by isothermal cores, expected from entropy maximization in the context of the standard theory of violent relaxation. It is suggested that this is the case because a system starting far from equilibrium does not reach a 'most probable state' via violent relaxation, but that this process comes to an end as the system finds and (settles in) a configuration where it can most efficiently wash out perturbations. We explicitly test this interpretation by means of direct simulations.

  12. Dynamic breakwater and wave energy recovery and conversion system

    SciTech Connect (OSTI)

    Boros, L.J.

    1983-05-24

    A dynamic breakwater system includes at least one and preferably a plurality of dynamic breakwater assemblies, each of which includes a baffle wall member which is pivotally mounted in a body of water about an axis which extends substantially transverse to the direction of wave motion and so that a lower portion thereof is submerged below the water surface while an upper portion thereof extends above the water surface, each baffle wall member being biased such that it has a tendency to move in a direction opposite to the direction of wave motion and wherein apparatus for damping the movement of the baffle wall member when the same moves in the direction of wave motion under the force of waves impinging thereon are provided. Apparatus is provided for recovering at least a portion of the energy imparted to the baffle wall member by the waves impinging thereon and for converting the same to useful energy and generally comprises a fluid circuit supported on a stationary platform assembly and a device operatively interconnecting the baffle wall member and fluid circuit for elevating the pressure of the fluid circulating therein in response to movement of the baffle wall member caused by the waves impinging thereon.

  13. ConocoPhillips Gas Hydrate Production Test

    SciTech Connect (OSTI)

    Schoderbek, David; Farrell, Helen; Howard, James; Raterman, Kevin; Silpngarmlert, Suntichai; Martin, Kenneth; Smith, Bruce; Klein, Perry

    2013-06-30

    Work began on the ConocoPhillips Gas Hydrates Production Test (DOE award number DE-NT0006553) on October 1, 2008. This final report summarizes the entire project from January 1, 2011 to June 30, 2013.

  14. MethaneHydrateRD_FC.indd

    Office of Environmental Management (EM)

    Last Updated: June 2011 www.fossil.energy.gov Gas Hydrate test well; Alaska North Slope, ... acti vely with researchers in Japan, Korea, India, China, Canada, and other nati ons. ...

  15. Hydrate Control for Gas Storage Operations

    SciTech Connect (OSTI)

    Jeffrey Savidge

    2008-10-31

    The overall objective of this project was to identify low cost hydrate control options to help mitigate and solve hydrate problems that occur in moderate and high pressure natural gas storage field operations. The study includes data on a number of flow configurations, fluids and control options that are common in natural gas storage field flow lines. The final phase of this work brings together data and experience from the hydrate flow test facility and multiple field and operator sources. It includes a compilation of basic information on operating conditions as well as candidate field separation options. Lastly the work is integrated with the work with the initial work to provide a comprehensive view of gas storage field hydrate control for field operations and storage field personnel.

  16. Methane Hydrates and Climate Change | Department of Energy

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

    Hydrates and Climate Change Methane Hydrates and Climate Change Methane hydrates store huge volumes of methane formed by the bacterial decay of organic matter or leaked from underlying oil and natural gas deposits. The active formation of methane hydrates in the shallow crust prevents methane, a greenhouse gas, from entering the atmosphere. On the other hand, warming of arctic sediments or ocean waters has the potential to cause methane hydrate to dissociate, releasing methane into the deepwater

  17. gas-hydrate-global-assessment | netl.doe.gov

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

    gas-hydrate-global-assessment Frozen Heat: A Global Outlook on Methane Hydrate cover of executive summary The United Nations Environmental Programme released this new, two-volume report in March 2015. Frozen Heat: A Global Outlook on Methane Hydrate details the science and history of gas hydrates, evaluates the current state of gas hydrate research, and explores the potential impact of this untapped natural gas source on the future global energy mix. An executive summary of report is also

  18. Ensemble Kalman filters for dynamical systems with unresolved turbulence

    SciTech Connect (OSTI)

    Grooms, Ian; Lee, Yoonsang; Majda, Andrew J.

    2014-09-15

    Ensemble Kalman filters are developed for turbulent dynamical systems where the forecast model does not resolve all the active scales of motion. Coarse-resolution models are intended to predict the large-scale part of the true dynamics, but observations invariably include contributions from both the resolved large scales and the unresolved small scales. The error due to the contribution of unresolved scales to the observations, called representation or representativeness error, is often included as part of the observation error, in addition to the raw measurement error, when estimating the large-scale part of the system. It is here shown how stochastic superparameterization (a multiscale method for subgridscale parameterization) can be used to provide estimates of the statistics of the unresolved scales. In addition, a new framework is developed wherein small-scale statistics can be used to estimate both the resolved and unresolved components of the solution. The one-dimensional test problem from dispersive wave turbulence used here is computationally tractable yet is particularly difficult for filtering because of the non-Gaussian extreme event statistics and substantial small scale turbulence: a shallow energy spectrum proportional to k{sup ?5/6} (where k is the wavenumber) results in two-thirds of the climatological variance being carried by the unresolved small scales. Because the unresolved scales contain so much energy, filters that ignore the representation error fail utterly to provide meaningful estimates of the system state. Inclusion of a time-independent climatological estimate of the representation error in a standard framework leads to inaccurate estimates of the large-scale part of the signal; accurate estimates of the large scales are only achieved by using stochastic superparameterization to provide evolving, large-scale dependent predictions of the small-scale statistics. Again, because the unresolved scales contain so much energy, even an

  19. METHANE HYDRATE PRODUCTION FROM ALASKAN PERMAFROST

    SciTech Connect (OSTI)

    Steve Runyon; Mike Globe; Kent Newsham; Robert Kleinberg; Doug Griffin

    2005-02-01

    Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrate potential agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. This gas-hydrate project was a cost-shared partnership between Maurer Technology, Noble Corporation, Anadarko Petroleum, and the U.S. Department of Energy's Methane Hydrate R&D program. The purpose of the project is to build on previous and ongoing R&D in the area of onshore hydrate deposition to identify, quantify and predict production potential for hydrates located on the North Slope of Alaska. The work scope included drilling and coring a well (Hot Ice No. 1) on Anadarko leases beginning in FY 2003 and completed in 2004. During the first drilling season, operations were conducted at the site between January 28, 2003 to April 30, 2003. The well was spudded and drilled to a depth of 1403 ft. Due to the onset of warmer weather, work was then suspended for the season. Operations at the site were continued after the tundra was re-opened the following season. Between January 12, 2004 and March 19, 2004, the well was drilled and cored to a final depth of 2300 ft. An on-site core analysis laboratory was built and utilized for determining the physical characteristics of the hydrates and surrounding rock. The well was drilled from a new Anadarko Arctic Platform that has a minimal footprint and environmental impact. The final efforts of the project are to correlate geology, geophysics, logs, and drilling and

  20. METHANE HYDRATE PRODUCTION FROM ALASKAN PERMAFROST

    SciTech Connect (OSTI)

    Ali Kadaster; Bill Liddell; Tommy Thompson; Thomas Williams; Michael Niedermayr

    2005-02-01

    Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrate potential agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. This gas-hydrate project was a cost-shared partnership between Maurer Technology, Noble Corporation, Anadarko Petroleum, and the U.S. Department of Energy's Methane Hydrate R&D program. The purpose of the project is to build on previous and ongoing R&D in the area of onshore hydrate deposition to identify, quantify and predict production potential for hydrates located on the North Slope of Alaska. The work scope included drilling and coring a well (Hot Ice No. 1) on Anadarko leases beginning in FY 2003 and completed in 2004. During the first drilling season, operations were conducted at the site between January 28, 2003 to April 30, 2003. The well was spudded and drilled to a depth of 1403 ft. Due to the onset of warmer weather, work was then suspended for the season. Operations at the site were continued after the tundra was re-opened the following season. Between January 12, 2004 and March 19, 2004, the well was drilled and cored to a final depth of 2300 ft. An on-site core analysis laboratory was built and implemented for determining physical characteristics of the hydrates and surrounding rock. The well was drilled from a new Anadarko Arctic Platform that has a minimal footprint and environmental impact. Final efforts of the project are to correlate geology, geophysics, logs, and drilling and

  1. Swarming behaviors in multi-agent systems with nonlinear dynamics

    SciTech Connect (OSTI)

    Yu, Wenwu; School of Electrical and Computer Engineering, RMIT University, Melbourne VIC 3001 ; Chen, Guanrong; Cao, Ming; L, Jinhu; Zhang, Hai-Tao

    2013-12-15

    The dynamic analysis of a continuous-time multi-agent swarm model with nonlinear profiles is investigated in this paper. It is shown that, under mild conditions, all agents in a swarm can reach cohesion within a finite time, where the upper bounds of the cohesion are derived in terms of the parameters of the swarm model. The results are then generalized by considering stochastic noise and switching between nonlinear profiles. Furthermore, swarm models with limited sensing range inducing changing communication topologies and unbounded repulsive interactions between agents are studied by switching system and nonsmooth analysis. Here, the sensing range of each agent is limited and the possibility of collision among nearby agents is high. Finally, simulation results are presented to demonstrate the validity of the theoretical analysis.

  2. Exploring dynamics of unstable many-body systems

    SciTech Connect (OSTI)

    Volya, Alexander; Zelevinsky, Vladimir

    2014-10-15

    In this work we acquaint reader with the Continuum Shell Model (CSM), which is a proper theoretical tool for the description of physics of unstable systems. We describe the effective non-Hermitian Hamiltonian of the CSM and concentrate on specific aspects of dynamics using realistic examples. The continuum effects are discussed in the case of weakly bound heavy oxygen isotopes, where inclusion of continuum coupling is necessary to improve the traditional nuclear shell model techniques. Physics of overlapping resonances is illustrated using recent experimental information on {sup 8}B nucleus. In the limit of strong continuum coupling the many-body states restructure relative to continuum leading to a few very broad super-radiant states, while at the same time other states become narrow and nearly decoupled from decay. The recent observations of very broad alpha clustering states in {sup 18}O is one of the most transparent manifestations of super-radiance.

  3. Quantum tomography meets dynamical systems and bifurcations theory

    SciTech Connect (OSTI)

    Goyeneche, D.; Torre, A. C. de la

    2014-06-01

    A powerful tool for studying geometrical problems in Hilbert spaces is developed. We demonstrate the convergence and robustness of our method in every dimension by considering dynamical systems theory. This method provides numerical solutions to hard problems involving many coupled nonlinear equations in low and high dimensions (e.g., quantum tomography problem, existence and classification of Pauli partners, mutually unbiased bases, complex Hadamard matrices, equiangular tight frames, etc.). Additionally, this tool can be used to find analytical solutions and also to implicitly prove the existence of solutions. Here, we develop the theory for the quantum pure state tomography problem in finite dimensions but this approach is straightforwardly extended to the rest of the problems. We prove that solutions are always attractive fixed points of a nonlinear operator explicitly given. As an application, we show that the statistics collected from three random orthonormal bases is enough to reconstruct pure states from experimental (noisy) data in every dimension d ? 32.

  4. Ultrafast Structural Dynamics in Combustion Relevant Model Systems

    SciTech Connect (OSTI)

    Weber, Peter M.

    2014-03-31

    The research project explored the time resolved structural dynamics of important model reaction system using an array of novel methods that were developed specifically for this purpose. They include time resolved electron diffraction, time resolved relativistic electron diffraction, and time resolved Rydberg fingerprint spectroscopy. Toward the end of the funding period, we also developed time-resolved x-ray diffraction, which uses ultrafast x-ray pulses at LCLS. Those experiments are just now blossoming, as the funding period expired. In the following, the time resolved Rydberg Fingerprint Spectroscopy is discussed in some detail, as it has been a very productive method. The binding energy of an electron in a Rydberg state, that is, the energy difference between the Rydberg level and the ground state of the molecular ion, has been found to be a uniquely powerful tool to characterize the molecular structure. To rationalize the structure sensitivity we invoke a picture from electron diffraction: when it passes the molecular ion core, the Rydberg electron experiences a phase shift compared to an electron in a hydrogen atom. This phase shift requires an adjustment of the binding energy of the electron, which is measurable. As in electron diffraction, the phase shift depends on the molecular, geometrical structure, so that a measurement of the electron binding energy can be interpreted as a measurement of the molecules structure. Building on this insight, we have developed a structurally sensitive spectroscopy: the molecule is first elevated to the Rydberg state, and the binding energy is then measured using photoelectron spectroscopy. The molecules structure is read out as the binding energy spectrum. Since the photoionization can be done with ultrafast laser pulses, the technique is inherently capable of a time resolution in the femtosecond regime. For the purpose of identifying the structures of molecules during chemical reactions, and for the analysis of

  5. Integrated system dynamics toolbox for water resources planning.

    SciTech Connect (OSTI)

    Reno, Marissa Devan; Passell, Howard David; Malczynski, Leonard A.; Peplinski, William J.; Tidwell, Vincent Carroll; Coursey, Don; Hanson, Jason; Grimsrud, Kristine; Thacher, Jennifer; Broadbent, Craig; Brookshire, David; Chemak, Janie; Cockerill, Kristan; Aragon, Carlos , Socorro, NM); Hallett, Heather , Socorro, NM); Vivoni, Enrique , Socorro, NM); Roach, Jesse

    2006-12-01

    Public mediated resource planning is quickly becoming the norm rather than the exception. Unfortunately, supporting tools are lacking that interactively engage the public in the decision-making process and integrate over the myriad values that influence water policy. In the pages of this report we document the first steps toward developing a specialized decision framework to meet this need; specifically, a modular and generic resource-planning ''toolbox''. The technical challenge lies in the integration of the disparate systems of hydrology, ecology, climate, demographics, economics, policy and law, each of which influence the supply and demand for water. Specifically, these systems, their associated processes, and most importantly the constitutive relations that link them must be identified, abstracted, and quantified. For this reason, the toolbox forms a collection of process modules and constitutive relations that the analyst can ''swap'' in and out to model the physical and social systems unique to their problem. This toolbox with all of its modules is developed within the common computational platform of system dynamics linked to a Geographical Information System (GIS). Development of this resource-planning toolbox represents an important foundational element of the proposed interagency center for Computer Aided Dispute Resolution (CADRe). The Center's mission is to manage water conflict through the application of computer-aided collaborative decision-making methods. The Center will promote the use of decision-support technologies within collaborative stakeholder processes to help stakeholders find common ground and create mutually beneficial water management solutions. The Center will also serve to develop new methods and technologies to help federal, state and local water managers find innovative and balanced solutions to the nation's most vexing water problems. The toolbox is an important step toward achieving the technology development goals of this center.

  6. X-ray computed-tomography observations of water flow through anisotropic methane hydrate-bearing sand

    SciTech Connect (OSTI)

    Seol, Yongkoo; Kneafsey, Timothy J.

    2009-06-01

    We used X-ray computed tomography (CT) to image and quantify the effect of a heterogeneous sand grain-size distribution on the formation and dissociation of methane hydrate, as well as the effect on water flow through the heterogeneous hydrate-bearing sand. A 28 cm long sand column was packed with several segments having vertical and horizontal layers with sands of different grain-size distributions. During the hydrate formation, water redistribution occurred. Observations of water flow through the hydrate-bearing sands showed that water was imbibed more readily into the fine sand, and that higher hydrate saturation increased water imbibition in the coarse sand due to increased capillary strength. Hydrate dissociation induced by depressurization resulted in different flow patterns with the different grain sizes and hydrate saturations, but the relationships between dissociation rates and the grain sizes could not be identified using the CT images. The formation, presence, and dissociation of hydrate in the pore space dramatically impact water saturation and flow in the system.

  7. CaCl 2 -Accelerated Hydration of Tricalcium Silicate: A STXM Study Combined with 29 Si MAS NMR

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

    Li, Qinfei; Ge, Yong; Geng, Guoqing; Bae, Sungchul; Monteiro, Paulo J. M.

    2015-01-01

    Tmore » he effect of calcium chloride (CaCl 2 ) on tricalcium silicate (C 3 S) hydration was investigated by scanning transmission X-ray microscopy (STXM) with Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra and 29 Si MAS NMR. STXM is demonstrated to be a powerful tool for studying the chemical composition of a cement-based hydration system.he Ca L 3,2 -edge NEXAFS spectra obtained by examining C 3 S hydration in the presence of CaCl 2 showed that this accelerator does not change the coordination of calcium in the calcium silicate hydrate (C-S-H), which is the primary hydration product. O K-edge NEXAFS is also very useful in distinguishing the chemical components in hydrated C 3 S. Based on the Ca L 3,2 -edge spectra and chemical component mapping, we concluded that CaCl 2 prefers to coexist with unhydrated C 3 S instead of C-S-H. In Si K-edge NEXAFS analysis, CaCl 2 increases the degree of silicate polymerization of C-S-H in agreement with the 29 Si CP/MAS NMR results, which show that the presence of CaCl 2 in hydrated C 3 S considerably accelerates the formation of middle groups ( Q 2 ) and branch sites ( Q 3 ) in the silicate chains of C-S-H gel at 1-day hydration.« less

  8. Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

    SciTech Connect (OSTI)

    Tan, Ming-Liang; Te, Jerez; Cendagorta, Joseph R.; Miller, Benjamin T.; Brooks, Bernard R.; Ichiye, Toshiko

    2015-02-14

    The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol V{sub E} as a function of ethanol mole fraction X{sub E} is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decrease is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has “brittle” hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water.

  9. A simple correlation to predict the hydrate quadruple point temperature for LPG mixtures

    SciTech Connect (OSTI)

    Yousif, M.H.

    1997-12-31

    A simple correlation to predict the hydrate upper quadruple point temperature, T{sub Q2B} for liquefied petroleum gas (LPG) mixtures was developed. It was developed for use as a part of a modeling and control system for a LPG pipeline in Russia. For performance reasons, a simple hydrate prediction correlation was required that could be incorporated into the real-time and predictive pipeline simulation models. The operating company required both real time and predictive simulation tools be developed to assist in preventing hydrate blockages while minimizing the use of methanol. In this particular pipeline, LPG fluid moves through the pipeline as a single phase liquid above its bubble point pressure. Because of the very low flow rates, the trace amount of water present in the LPG drops out and creates water pools at low points in the pipeline. The pipeline pressure and seasonal temperatures are conducive for hydrate formation in these pools. Methanol and monoethylene glycol (MEG) are injected in the pipeline to help prevent hydrate formation. The newly developed correlation predicts the hydrate quadruple point temperature using only the composition and the molecular weight of the LPG mixture while retaining an accuracy comparable to the statistical thermodynamic models throughout the range of normal operating conditions.

  10. On theoretical issues of computer simulations sequential dynamical systems

    SciTech Connect (OSTI)

    Barrett, C.L.; Mortveit, H.S.; Reidys, C.M.

    1998-12-01

    The authors study a class of discrete dynamical systems that is motivated by the generic structure of simulations. The systems consist of the following data: (a) a finite graph Y with vertex set {l_brace}1,...,n{r_brace} where each vertex has a binary state, (b) functions F{sub i}:F{sub 2}{sup n} {r_arrow} F{sub 2}{sup n} and (c) an update ordering {pi}. The functions F{sub i} update the binary state of vertex i as a function of the state of vertex i and its Y-neighbors and leave the states of all other vertices fixed. The update ordering is a permutation of the Y-vertices. They derive a decomposition result, characterize invertible SDS and study fixed points. In particular they analyze how many different SDS that can be obtained by reordering a given multiset of update functions and give a criterion for when one can derive concentration results on this number. Finally, some specific SDS are investigated.

  11. OTEC Cold Water Pipe-Platform Sub-System Dynamic Interaction Validation

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

    (OPPSDIV) | Department of Energy OTEC Cold Water Pipe-Platform Sub-System Dynamic Interaction Validation (OPPSDIV) OTEC Cold Water Pipe-Platform Sub-System Dynamic Interaction Validation (OPPSDIV) OTEC Cold Water Pipe-Platform Sub-System Dynamic Interaction Validation (OPPSDIV) 37_otec_lmco_ascari.ppt (3.91 MB) More Documents & Publications CX-004741: Categorical Exclusion Determination OTEC resource assessment Water Power Program Peer Review Meeting Agenda

  12. New Methane Hydrate Research: Investing in Our Energy Future | Department

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

    of Energy Methane Hydrate Research: Investing in Our Energy Future New Methane Hydrate Research: Investing in Our Energy Future August 31, 2012 - 1:37pm Addthis Methane hydrates are 3D ice-lattice structures with natural gas locked inside. If methane hydrate is either warmed or depressurized, it will release the trapped natural gas. Methane hydrates are 3D ice-lattice structures with natural gas locked inside. If methane hydrate is either warmed or depressurized, it will release the trapped

  13. Complex admixtures of clathrate hydrates in a water desalination method

    DOE Patents [OSTI]

    Simmons, Blake A.; Bradshaw, Robert W.; Dedrick, Daniel E.; Anderson, David W.

    2009-07-14

    Disclosed is a method that achieves water desalination by utilizing and optimizing clathrate hydrate phenomena. Clathrate hydrates are crystalline compounds of gas and water that desalinate water by excluding salt molecules during crystallization. Contacting a hydrate forming gaseous species with water will spontaneously form hydrates at specific temperatures and pressures through the extraction of water molecules from the bulk phase followed by crystallite nucleation. Subsequent dissociation of pure hydrates yields fresh water and, if operated correctly, allows the hydrate-forming gas to be efficiently recycled into the process stream.

  14. METHANE HYDRATE PRODUCTION FROM ALASKAN PERMAFROST

    SciTech Connect (OSTI)

    Richard Sigal; Kent Newsham; Thomas Williams; Barry Freifeld; Timothy Kneafsey; Carl Sondergeld; Shandra Rai; Jonathan Kwan; Stephen Kirby; Robert Kleinberg; Doug Griffin

    2005-02-01

    Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrate potential agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. The work scope drilled and cored a well The Hot Ice No. 1 on Anadarko leases beginning in FY 2003 and completed in 2004. An on-site core analysis laboratory was built and utilized for determining the physical characteristics of the hydrates and surrounding rock. The well was drilled from a new Anadarko Arctic Platform that has a minimal footprint and environmental impact. The final efforts of the project are to correlate geology, geophysics, logs, and drilling and production data and provide this information to scientists developing reservoir models. No gas hydrates were encountered in this well; however, a wealth of information was generated and is contained in this report. The Hot Ice No. 1 well was drilled from the surface to a measured depth of 2300 ft. There was almost 100% core recovery from the bottom of surface casing at 107 ft to total depth. Based on the best estimate of the bottom of the methane hydrate stability zone (which used new data obtained from Hot Ice No. 1 and new analysis of data from adjacent wells), core was recovered over its complete range. Approximately 580 ft of porous, mostly frozen, sandstone and 155 of conglomerate were recovered in the Ugnu Formation and approximately 215 ft of porous sandstone were recovered in the West Sak Formation. There were gas shows in the bottom

  15. Application of Crunch-Flow Routines to Constrain Present and Past Carbon Fluxes at Gas-Hydrate Bearing Sites

    SciTech Connect (OSTI)

    Torres, Marta

    2014-01-31

    In November 2012, Oregon State University initiated the project entitled: Application of Crunch-Flow routines to constrain present and past carbon fluxes at gas-hydrate bearing sites. Within this project we developed Crunch-Flow based modeling modules that include important biogeochemical processes that need to be considered in gas hydrate environments. Our modules were applied to quantify carbon cycling in present and past systems, using data collected during several DOE-supported drilling expeditions, which include the Cascadia margin in US, Ulleung Basin in South Korea, and several sites drilled offshore India on the Bay of Bengal and Andaman Sea. Specifically, we completed modeling efforts that: 1) Reproduce the compositional and isotopic profiles observed at the eight drilled sites in the Ulleung Basin that constrain and contrast the carbon cycling pathways at chimney (high methane flux) and non-chimney sites (low methane, advective systems); 2) Simulate the Ba record in the sediments to quantify the past dynamics of methane flux in the southern Hydrate Ridge, Cascadia margin; and 3) Provide quantitative estimates of the thickness of individual mass transport deposits (MTDs), time elapsed after the MTD event, rate of sulfate reduction in the MTD, and time required to reach a new steady state at several sites drilled in the Krishna-Godavari (K-G) Basin off India. In addition we developed a hybrid model scheme by coupling a home-made MATLAB code with CrunchFlow to address the methane transport and chloride enrichment at the Ulleung Basins chimney sites, and contributed the modeling component to a study focusing on pore-scale controls on gas hydrate distribution in sediments from the Andaman Sea. These efforts resulted in two manuscripts currently under review, and contributed the modeling component of another pare, also under review. Lessons learned from these efforts are the basis of a mini-workshop to be held at Oregon State University (Feb 2014) to instruct

  16. Integrated dynamic landscape analysis and modeling system (IDLAMS) : installation manual.

    SciTech Connect (OSTI)

    Li, Z.; Majerus, K. A.; Sundell, R. C.; Sydelko, P. J.; Vogt, M. C.

    1999-02-24

    The Integrated Dynamic Landscape Analysis and Modeling System (IDLAMS) is a prototype, integrated land management technology developed through a joint effort between Argonne National Laboratory (ANL) and the US Army Corps of Engineers Construction Engineering Research Laboratories (USACERL). Dr. Ronald C. Sundell, Ms. Pamela J. Sydelko, and Ms. Kimberly A. Majerus were the principal investigators (PIs) for this project. Dr. Zhian Li was the primary software developer. Dr. Jeffrey M. Keisler, Mr. Christopher M. Klaus, and Mr. Michael C. Vogt developed the decision analysis component of this project. It was developed with funding support from the Strategic Environmental Research and Development Program (SERDP), a land/environmental stewardship research program with participation from the US Department of Defense (DoD), the US Department of Energy (DOE), and the US Environmental Protection Agency (EPA). IDLAMS predicts land conditions (e.g., vegetation, wildlife habitats, and erosion status) by simulating changes in military land ecosystems for given training intensities and land management practices. It can be used by military land managers to help predict the future ecological condition for a given land use based on land management scenarios of various levels of training intensity. It also can be used as a tool to help land managers compare different land management practices and further determine a set of land management activities and prescriptions that best suit the needs of a specific military installation.

  17. Description of waste pretreatment and interfacing systems dynamic simulation model

    SciTech Connect (OSTI)

    Garbrick, D.J.; Zimmerman, B.D.

    1995-05-01

    The Waste Pretreatment and Interfacing Systems Dynamic Simulation Model was created to investigate the required pretreatment facility processing rates for both high level and low level waste so that the vitrification of tank waste can be completed according to the milestones defined in the Tri-Party Agreement (TPA). In order to achieve this objective, the processes upstream and downstream of the pretreatment facilities must also be included. The simulation model starts with retrieval of tank waste and ends with vitrification for both low level and high level wastes. This report describes the results of three simulation cases: one based on suggested average facility processing rates, one with facility rates determined so that approximately 6 new DSTs are required, and one with facility rates determined so that approximately no new DSTs are required. It appears, based on the simulation results, that reasonable facility processing rates can be selected so that no new DSTs are required by the TWRS program. However, this conclusion must be viewed with respect to the modeling assumptions, described in detail in the report. Also included in the report, in an appendix, are results of two sensitivity cases: one with glass plant water recycle steams recycled versus not recycled, and one employing the TPA SST retrieval schedule versus a more uniform SST retrieval schedule. Both recycling and retrieval schedule appear to have a significant impact on overall tank usage.

  18. Method for production of hydrocarbons from hydrates

    DOE Patents [OSTI]

    McGuire, Patrick L.

    1984-01-01

    A method of recovering natural gas entrapped in frozen subsurface gas hydrate formations in arctic regions. A hot supersaturated solution of CaCl.sub.2 or CaBr.sub.2, or a mixture thereof, is pumped under pressure down a wellbore and into a subsurface hydrate formation so as to hydrostatically fracture the formation. The CaCl.sub.2 /CaBr.sub.2 solution dissolves the solid hydrates and thereby releases the gas entrapped therein. Additionally, the solution contains a polymeric viscosifier, which operates to maintain in suspension finely divided crystalline CaCl.sub.2 /CaBr.sub.2 that precipitates from the supersaturated solution as it is cooled during injection into the formation.

  19. Dynamic State Estimation for Multi-Machine Power System by Unscented Kalman

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

    Filter with Enhanced Numerical Stability | Argonne National Laboratory Dynamic State Estimation for Multi-Machine Power System by Unscented Kalman Filter with Enhanced Numerical Stability Title Dynamic State Estimation for Multi-Machine Power System by Unscented Kalman Filter with Enhanced Numerical Stability Publication Type Journal Article Year of Publication 2016 Authors Qi, J, Sun, K, Wang, J, Liu, H Journal IEEE Transactions on Smart Grid Date Published 06/2016 Keywords dynamic state

  20. Dehydration of plutonium or neptunium trichloride hydrate

    DOE Patents [OSTI]

    Foropoulos, Jr., Jerry (Los Alamos, NM); Avens, Larry R. (Los Alamos, NM); Trujillo, Eddie A. (Espanola, NM)

    1992-01-01

    A process of preparing anhydrous actinide metal trichlorides of plutonium or neptunium by reacting an aqueous solution of an actinide metal trichloride selected from the group consisting of plutonium trichloride or neptunium trichloride with a reducing agent capable of converting the actinide metal from an oxidation state of +4 to +3 in a resultant solution, evaporating essentially all the solvent from the resultant solution to yield an actinide trichloride hydrate material, dehydrating the actinide trichloride hydrate material by heating the material in admixture with excess thionyl chloride, and recovering anhydrous actinide trichloride is provided.

  1. Dehydration of plutonium or neptunium trichloride hydrate

    DOE Patents [OSTI]

    Foropoulos, J. Jr.; Avens, L.R.; Trujillo, E.A.

    1992-03-24

    A process is described for preparing anhydrous actinide metal trichlorides of plutonium or neptunium by reacting an aqueous solution of an actinide metal trichloride selected from the group consisting of plutonium trichloride or neptunium trichloride with a reducing agent capable of converting the actinide metal from an oxidation state of +4 to +3 in a resultant solution, evaporating essentially all the solvent from the resultant solution to yield an actinide trichloride hydrate material, dehydrating the actinide trichloride hydrate material by heating the material in admixture with excess thionyl chloride, and recovering anhydrous actinide trichloride.

  2. Methane Hydrate Advisory Committee (MHAC) Meeting

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

    Hydrate Advisory Committee (MHAC) Meeting May 7, 2015 1:00 - 3:00PM (EDT) Via Teleconference MEETING SUMMARY Attached are the meeting agenda and the list of attendees; a quorum of Committee members was present. DFO Welcome and Introductions - Paula A. Gant, DFO The meeting was called to order at 1:00PM EDT by Paula A. Gant, Deputy Assistant Secretary (DAS) for Oil and Gas within the U.S. Department of Energy (DOE) and Designated Federal Officer (DFO) for the Methane Hydrate Advisory Committee

  3. In-Situ Sampling and Characterization of Naturally Occurring Marine Methane Hydrate Using the D/V JOIDES Resolution

    SciTech Connect (OSTI)

    Rack, Frank; Storms, Michael; Schroeder, Derryl; Dugan, Brandon; Schultheiss, Peter

    2002-12-31

    The primary accomplishments of the JOI Cooperative Agreement with DOE/NETL in this quarter were (1) the preliminary postcruise evaluation of the tools and measurement systems that were used during ODP Leg 204 to study hydrate deposits on Hydrate Ridge, offshore Oregon from July through September 2002; and (2) the preliminary study of the hydrate-bearing core samples preserved in pressure vessels and in liquid nitrogen cryofreezers, which are now stored at the ODP Gulf Coast Repository in College Station, TX. During ODP Leg 204, several newly modified downhole tools were deployed to better characterize the subsurface lithologies and environments hosting microbial populations and gas hydrates. A preliminary review of the use of these tools is provided herein. The DVTP, DVTP-P, APC-methane, and APC-Temperature tools (ODP memory tools) were used extensively and successfully during ODP Leg 204 aboard the D/V JOIDES Resolution. These systems provided a strong operational capability for characterizing the in situ properties of methane hydrates in subsurface environments on Hydrate Ridge during ODP Leg 204. Pressure was also measured during a trial run of the Fugro piezoprobe, which operates on similar principles as the DVTP-P. The final report describing the deployments of the Fugro Piezoprobe is provided in Appendix A of this report. A preliminary analysis and comparison between the piezoprobe and DVTP-P tools is provided in Appendix B of this report. Finally, a series of additional holes were cored at the crest of Hydrate Ridge (Site 1249) specifically geared toward the rapid recovery and preservation of hydrate samples as part of a hydrate geriatric study partially funded by the Department of Energy (DOE). In addition, the preliminary results from gamma density non-invasive imaging of the cores preserved in pressure vessels are provided in Appendix C of this report. An initial visual inspection of the samples stored in liquid nitrogen is provided in Appendix D of this

  4. Laboratory evaluation of dynamic traffic assignment systems: Requirements, framework, and system design

    SciTech Connect (OSTI)

    Miaou, S.-P.; Pillai, R.S.; Summers, M.S.; Rathi, A.K.; Lieu, H.C.

    1997-01-01

    The success of Advanced Traveler Information 5ystems (ATIS) and Advanced Traffic Management Systems (ATMS) depends on the availability and dissemination of timely and accurate estimates of current and emerging traffic network conditions. Real-time Dynamic Traffic Assignment (DTA) systems are being developed to provide the required timely information. The DTA systems will provide faithful and coherent real-time, pre-trip, and en-route guidance/information which includes routing, mode, and departure time suggestions for use by travelers, ATIS, and ATMS. To ensure the credibility and deployment potential of such DTA systems, an evaluation system supporting all phases of DTA system development has been designed and presented in this paper. This evaluation system is called the DTA System Laboratory (DSL). A major component of the DSL is a ground- truth simulator, the DTA Evaluation System (DES). The DES is envisioned to be a virtual representation of a transportation system in which ATMS and ATIS technologies are deployed. It simulates the driving and decision-making behavior of travelers in response to ATIS and ATMS guidance, information, and control. This paper presents the major evaluation requirements for a DTA Systems, a modular modeling framework for the DES, and a distributed DES design. The modeling framework for the DES is modular, meets the requirements, can be assembled using both legacy and independently developed modules, and can be implemented as a either a single process or a distributed system. The distributed design is extendible, provides for the optimization of distributed performance, and object-oriented design within each distributed component. A status report on the development of the DES and other research applications is also provided.

  5. Capturing Real-Time Power System Dynamics: Opportunities and Challenges

    SciTech Connect (OSTI)

    Huang, Zhenyu; Zhou, Ning; Diao, Ruisheng; Wang, Shaobu; Elbert, Stephen T.; Meng, Da; Lu, Shuai

    2015-09-01

    The power grid evolves towards a new mix of generation and consumption that introduces new dynamic and stochastic behaviors. These emerging grid behaviors would invalidate the steady-state assumption in today’s state estimation – an essential function for real-time power grid operation. This paper examines this steady-state assumption and identifies the need for estimating dynamic states. Supporting technologies are presented as well as a proposed formulation for estimating dynamic states. Metrics for evaluating methods for solving the dynamic state estimation problem are proposed, with example results to illustrate the use of these metrics. The overall objective of this paper is to provide a basis that more research on this topic can follow.

  6. Draft Report of the Task Force on Methane Hydrates

    Broader source: Energy.gov [DOE]

    This report presents the findings and recommendations for the Secretary of Energy Advisory Board (SEAB) Task Force on Methane Hydrates.

  7. Report of the Task Force on Methane Hydrates

    Broader source: Energy.gov [DOE]

    This report presents the findings and recommendations for the Secretary of Energy Advisory Board (SEAB) Task Force on Methane Hydrates.

  8. Effective quantum dynamics of interacting systems with inhomogeneous coupling

    SciTech Connect (OSTI)

    Lopez, C. E.; Retamal, J. C.; Christ, H.; Solano, E.

    2007-03-15

    We study the quantum dynamics of a single mode (particle) interacting inhomogeneously with a large number of particles and introduce an effective approach to find the accessible Hilbert space, where the dynamics takes place. Two relevant examples are given: the inhomogeneous Tavis-Cummings model (e.g., N atomic qubits coupled to a single cavity mode, or to a motional mode in trapped ions) and the inhomogeneous coupling of an electron spin to N nuclear spins in a quantum dot.

  9. Dynamic modelling of a double-pendulum gantry crane system incorporating payload

    SciTech Connect (OSTI)

    Ismail, R. M. T. Raja; Ahmad, M. A.; Ramli, M. S.; Ishak, R.; Zawawi, M. A.

    2011-06-20

    The natural sway of crane payloads is detrimental to safe and efficient operation. Under certain conditions, the problem is complicated when the payloads create a double pendulum effect. This paper presents dynamic modelling of a double-pendulum gantry crane system based on closed-form equations of motion. The Lagrangian method is used to derive the dynamic model of the system. A dynamic model of the system incorporating payload is developed and the effects of payload on the response of the system are discussed. Extensive results that validate the theoretical derivation are presented in the time and frequency domains.

  10. Pathways through equilibrated states with coexisting phases for gas hydrate formation

    SciTech Connect (OSTI)

    Malolepsza, Edyta; Keyes, Tom

    2015-12-01

    Under ambient conditions, water freezes to either hexagonal ice or a hexagonal/cubic composite ice. The presence of hydrophobic guest molecules introduces a competing pathway: gas hydrate formation, with the guests in clathrate cages. Here, the pathways of the phase transitions are sought as sequences of states with coexisting phases, using a generalized replica exchange algorithm designed to sample them in equilibrium, avoiding nonequilibrium processes. For a dilute solution of methane in water under 200 atm, initializing the simulation with the full set of replicas leads to methane trapped in hexagonal/cubic ice, while gradually adding replicas with decreasing enthalpy produces the initial steps of hydrate growth. Once a small amount of hydrate is formed, water rearranges to form empty cages, eventually transforming the remainder of the system to metastable β ice, a scaffolding for hydrates. It is suggested that configurations with empty cages are reaction intermediates in hydrate formation when more guest molecules are available. Furthermore, free energy profiles show that methane acts as a catalyst reducing the barrier for β ice versus hexagonal/cubic ice formation.