National Library of Energy BETA

Sample records for reaction-driven ionic transport

  1. DEVELOPMENT OF REACTION-DRIVEN IONIC TRANSPORT MEMBRANES (ITMs) TECHNOLOGY: PHASE IV/BUDGET PERIOD 6 “Development of ITM Oxygen Technology for Integration in IGCC and Other Advanced Power Generation Systems”

    SciTech Connect

    David, Studer

    2012-03-01

    Air Products and Chemicals, along with development participants and in association with the U.S. Department of Energy, has made substantial progress in developing a novel air separation technology. Unlike conventional cryogenic processes, this method uses high-temperature ceramic membranes to produce high-purity oxygen. The membranes selectively transport oxygen ions with high flux and infinite theoretical selectivity. Reaction-driven ceramic membranes are fabricated from non-porous, multi-component metallic oxides, operate at temperatures typically over 700°C, and have exceptionally high oxygen flux and selectivity. Oxygen from low-pressure air permeates as oxygen ions through the ceramic membrane and is consumed through chemical reactions, thus creating a chemical driving force that pulls oxygen ions across the membrane at high rates. The oxygen reacts with a hydrocarbon fuel in a partial oxidation process to produce a hydrogen and carbon monoxide mixture – synthesis gas. This project expands the partial-oxidation scope of ITM technology beyond natural gas feed and investigates the potential for ITM reaction-driven technology to be used in conjunction with gasification and pyrolysis technologies to provide more economical routes for producing hydrogen and synthesis gas. This report presents an overview of the ITM reaction-driven development effort, including ceramic materials development, fabrication and testing of small-scale ceramic modules, ceramic modeling, and the investigation of gasifier integration schemes

  2. Decoupling of Ionic Transport from Segmental Relaxation in Polymer...

    Office of Scientific and Technical Information (OSTI)

    Publisher's Accepted Manuscript: Decoupling of Ionic Transport from Segmental Relaxation in Polymer Electrolytes Prev Next Title: Decoupling of Ionic Transport from Segmental ...

  3. How Mixing Tetraglyme with Ionic Liquid Changes Volumetric and Transport

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Properties - Joint Center for Energy Storage Research April 1, 2016, Research Highlights How Mixing Tetraglyme with Ionic Liquid Changes Volumetric and Transport Properties Solvent models with opposite charges have completely different solvation structure in their mixtures with ionic liquid. Scientific Achievement Charge localization of the solvent molecules affects the liquid phase structure and transport properties in electrolyte solutions. Significance and Impact Classical molecular

  4. Charge Transport and Glassy Dynamics in Ionic Liquids

    SciTech Connect

    Sangoro, Joshua R; Kremer, Friedrich

    2012-01-01

    Ionic liquids (ILs) exhibit unique features such as low melting points, low vapor pressures, wide liquidus temperature ranges, high thermal stability, high ionic conductivity, and wide electrochemical windows. As a result, they show promise for use in variety of applications: as reaction media, in batteries and supercapacitors, in solar and fuel cells, for electrochemical deposition of metals and semiconductors, for protein extraction and crystallization, and many others. Because of the ease with which they can be supercooled, ionic liquids offer new opportunities to investigate long-standing questions regarding the nature of the dynamic glass transition and its possible link to charge transport. Despite the significant steps achieved from experimental and theoretical studies, no generally accepted quantitative theory of dynamic glass transition to date has been capable of reproducing all the experimentally observed features. In this Account, we discuss recent studies of the interplay between charge transport and glassy dynamics in ionic liquids as investigated by a combination of several experimental techniques including broadband dielectric spectroscopy, pulsed field gradient nuclear magnetic resonance, dynamic mechanical spectroscopy, and differential scanning calorimetry. Based on EinsteinSmoluchowski relations, we use dielectric spectra of ionic liquids to determine diffusion coefficients in quantitative agreement with independent pulsed field gradient nuclear magnetic resonance measurements, but spanning a broader range of more than 10 orders of magnitude. This approach provides a novel opportunity to determine the electrical mobility and effective number density of charge carriers as well as their types of thermal activation from the measured dc conductivity separately. We also unravel the origin of the remarkable universality of charge transport in different classes of glass-forming ionic liquids.

  5. Ion transport and softening in a polymerized ionic liquid

    SciTech Connect

    Kumar, Rajeev; Bocharova, Vera; Strelcov, Evgheni; Tselev, Alexander; Kravchenko, Ivan I.; Berdzinski, Stefan; Strehmel, Veronika; Ovchinnikova, Olga S.; Minutolo, Joseph A.; Sangoro, Joshua R.; Agapov, Alexander L.; Sokolov, Alexei P.; Kalinin, Sergei V.; Sumpter, Bobby G.

    2014-11-13

    Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this paper, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach. Experimental data for the kinetics of charging and steady state current–voltage relations can be explained by taking into account the dissociation of ions under an applied electric field (known as the Wien effect). Onsager's theory of the Wien effect coupled with the Poisson–Nernst–Planck formalism for the charge transport is found to be in excellent agreement with the experimental results. The agreement between the theory and experiments allows us to predict structural properties of the PolyIL films. We have observed significant softening of the PolyIL films beyond certain threshold voltages and formation of holes under a scanning probe microscopy (SPM) tip, through which an electric field was applied. Finally, the observed softening is explained by the theory of depression in glass transition temperature resulting from enhanced dissociation of ions with an increase in applied electric field.

  6. Ion transport and softening in a polymerized ionic liquid

    DOE PAGES [OSTI]

    Kumar, Rajeev; Bocharova, Vera; Strelcov, Evgheni; Tselev, Alexander; Kravchenko, Ivan I.; Berdzinski, Stefan; Strehmel, Veronika; Ovchinnikova, Olga S.; Minutolo, Joseph A.; Sangoro, Joshua R.; et al

    2014-11-13

    Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this paper, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach. Experimental data for the kinetics of charging and steady state current–voltage relations can be explained by taking into account the dissociation of ions under an applied electric field (known as themore » Wien effect). Onsager's theory of the Wien effect coupled with the Poisson–Nernst–Planck formalism for the charge transport is found to be in excellent agreement with the experimental results. The agreement between the theory and experiments allows us to predict structural properties of the PolyIL films. We have observed significant softening of the PolyIL films beyond certain threshold voltages and formation of holes under a scanning probe microscopy (SPM) tip, through which an electric field was applied. Finally, the observed softening is explained by the theory of depression in glass transition temperature resulting from enhanced dissociation of ions with an increase in applied electric field.« less

  7. Nonlinear transport in ionic liquid gated strontium titanate nanowires

    SciTech Connect

    Bretz-Sullivan, Terence M.; Goldman, A. M.

    2015-09-14

    Measurements of the current-voltage (I–V) characteristics of ionic liquid gated nanometer scale channels of strontium titanate have been carried out. At low gate voltages, the I–V characteristics exhibit a large voltage threshold for conduction and a nonlinear power law behavior at all temperatures measured. The source-drain current of these nanowires scales as a power law of the difference between the source-drain voltage and the threshold voltage. The scaling behavior of the I–V characteristic is reminiscent of collective electronic transport through an array of quantum dots. At large gate voltages, the narrow channel acts as a quasi-1D wire whose conductance follows Landauer's formula for multichannel transport.

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

    SciTech Connect

    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.

  9. Defect Interactions and Ionic Transport in Scandia Stabilized Zirconia

    SciTech Connect

    Devanathan, Ramaswami; Thevuthasan, Suntharampillai; Gale, Julian D.

    2009-06-24

    Atomistic simulation has been used to study ionic transport in scandia-stabilized zirconia, as well as scandia and yttria-co-doped zirconia, as a function of temperature and composition. The oxygen diffusion coefficient shows a peak at a composition of 6 mole % Sc2O3. Oxygen vacancies prefer to be second nearest neighbours to yttrium ions, but have little preference between first and second neighbour positions with respect to scandium ions. The Sc-O bond length is about 2.17 compared to 2.28 for the Y-O bond. Oxygen migration between cation tetrahedra is impeded less effectively by Sc-Sc edges than by Y-Y edges. A neutral cluster of two scandium ions with an oxygen vacancy in the common first neighbour position has a binding energy of -0.56 eV. The formation of such clusters may contribute to conductivity degradation of stabilized zirconia at elevated temperature.

  10. Correlating Humidity-Dependent Ionically Conductive Surface Area with Transport Phenomena in Proton-Exchange Membranes

    SciTech Connect

    He, Qinggang; Kusoglu, Ahmet; Lucas, Ivan T.; Clark, Kyle; Weber, Adam Z.; Kostecki, Robert

    2011-08-01

    The objective of this effort was to correlate the local surface ionic conductance of a Nafion? 212 proton-exchange membrane with its bulk and interfacial transport properties as a function of water content. Both macroscopic and microscopic proton conductivities were investigated at different relative humidity levels, using electrochemical impedance spectroscopy and current-sensing atomic force microscopy (CSAFM). We were able to identify small ion-conducting domains that grew with humidity at the surface of the membrane. Numerical analysis of the surface ionic conductance images recorded at various relative humidity levels helped determine the fractional area of ion-conducting active sites. A simple square-root relationship between the fractional conducting area and observed interfacial mass-transport resistance was established. Furthermore, the relationship between the bulk ionic conductivity and surface ionic conductance pattern of the Nafion? membrane was examined.

  11. Solvation and Ionic Transport in Polymer Electrolyte Membranes

    SciTech Connect

    Zawodzinski, T.A., Jr.; Paddison, S.J.; Reagor, D.; Pratt, L.R.

    1999-06-03

    We developed a general theoretical framework to study the problem of proton solvation and transport in Nafion{reg_sign} and related materials.

  12. Ionic Transport Across Interfaces of Solid Glass and Polymer Electrolytes

    SciTech Connect

    Tenhaeff, Wyatt E; Yu, Xiang; Hong, Kunlun; Perry, Kelly A; Dudney, Nancy J

    2011-01-01

    A study of lithium cation transport across solid-solid electrolyte interfaces to identify critical resistances in nanostructured solid electrolytes is reported. Bilayers of glass and polymer thin film electrolytes were fabricated and characterized for this study. The glass electrolyte was lithium phosphorous oxynitride (Lipon), and two polymer electrolytes were studied: poly(methyl methacrylate-co-poly(ethylene glycol) methyl ether methacrylate) and poly(styrene-co-poly(ethylene glycol) methyl ether methacrylate). Both copolymers contained LiClO{sub 4} salt. In bilayers where polymer electrolyte layers are fabricated on top of Lipon, the interfacial resistance dominates transport. At 25 C, the interfacial resistance is at least three times greater than the sum of the Lipon and polymer electrolyte resistances. By reversing the structure and fabricating Lipon on top of the polymer electrolytes, the interfacial resistance is eliminated. Experiments to elucidate the origin of the interfacial resistance in the polymer-on-Lipon bilayers reveal that the solvent mixtures used to fabricate the polymer layers do not degrade the Lipon layer. The importance of the polymer electrolytes' mechanical properties is also discussed.

  13. Structural control of mixed ionic and electronic transport in conducting polymers

    DOE PAGES [OSTI]

    Rivnay, Jonathan; Inal, Sahika; Collins, Brian A.; Sessolo, Michele; Stavrinidou, Eleni; Strakosas, Xenofon; Tassone, Christopher; Delongchamp, Dean M.; Malliaras, George G.

    2016-04-19

    Poly(3,4-ethylenedioxythiophene) doped with poly(styrenesulfonate), PEDOT:PSS, has been utilized for over two decades as a stable, solution-processable hole conductor. While its hole transport properties have been the subject of intense investigation, recent work has turned to PEDOT:PSS as a mixed ionic/electronic conductor in applications including bioelectronics, energy storage and management, and soft robotics. Conducting polymers can efficiently transport both holes and ions when sufficiently hydrated, however, little is known about the role of morphology on mixed conduction. Here, we show that bulk ionic and electronic mobilities are simultaneously affected by processing-induced changes in nano- and meso-scale structure in PEDOT:PSS films. Wemore » quantify domain composition, and find that domain purification on addition of dispersion co-solvents limits ion mobility, even while electronic conductivity improves. We show that an optimal morphology allows for the balanced ionic and electronic transport that is critical for prototypical mixed conductor devices. As a result, these findings may pave the way for the rational design of polymeric materials and processing routes to enhance devices reliant on mixed conduction.« less

  14. Mesoscopic Framework Enables Facile Ionic Transport in Solid Electrolytes for Li Batteries

    DOE PAGES [OSTI]

    Ma, Cheng; Cheng, Yongqiang; Chen, Kai; Li, Juchuan; Sumpter, Bobby G.; Nan, Ce-Wen; More, Karren L.; Dudney, Nancy J.; Chi, Miaofang

    2016-03-29

    In Li-ion-conducting solid electrolytes can simultaneously overcome two grand challenges for Li-ion batteries: the severe safety concerns that limit the large-scale application and the poor electrolyte stability that forbids the use of high-voltage cathodes. Nevertheless, the ionic conductivity of solid electrolytes is typically low, compromising the battery performances. Precisely determining the ionic transport mechanism(s) is a prerequisite for the rational design of highly conductive solid electrolytes. For decades, the research on this subject has primarily focused on the atomic and microscopic scales, where the main features of interest are unit cells and microstructures, respectively. We show that the largely overlookedmore » mesoscopic scale lying between these extremes could be the key to fast ionic conduction. In a prototype system, (Li0.33La0.56)TiO3, a mesoscopic framework is revealed for the first time by state-of-the-art scanning transmission electron microscopy. Corroborated by theoretical calculations and impedance measurements, it is demonstrated that such a unique configuration maximizes the number of percolation directions and thus most effectively improves the ionic conductivity. Finally, this discovery reconciles the long-standing structure–property inconsistency in (Li0.33La0.56)TiO3 and also identifies mesoscopic ordering as a promising general strategy for optimizing Li+ conduction.« less

  15. Communication: Unusual structure and transport in ionic liquid-hexane mixtures

    DOE PAGES [OSTI]

    Liang, Min; Khatun, Sufia; Castner, Edward W.

    2015-03-28

    Ionic liquids having a sufficiently amphiphilic cation can dissolve large volume fractions of alkanes, leading to mixtures with intriguing properties on molecular length scales. The trihexyl(tetradecyl)phosphonium cation paired with the bis(trifluoromethylsulfonyl)amide anion provides an ionic liquid that can dissolve large mole fractions of hexane. We present experimental results on mixtures of n-C6D14 with this ionic liquid. High- energy X-ray scattering studies reveal a persistence of the characteristic features of ionic liquid structure even for 80% dilution with n-C6D14. NMR self-diffusion results reveal decidedly non-hydrodynamic behavior where the self-diffusion of the neutral, non-polar n-C6D14 is on average a factor of 21more » times faster than for the cation. Exploitation of the unique structural and transport properties of these mixtures may lead to new opportunities for designer solvents for enhanced chemical reactivity and interface science.« less

  16. Final Report for DE-FG02-93ER14376,Ionic Transport in Electrochemical Media

    SciTech Connect

    J. W. Halley

    2009-05-20

    This project was a molecular dynamics study of the relevant issues associated with the structure and transport of lithium in polymer electrolytes such as polyethylene oxide(PEO). In close collaboration with quantum chemist Larry Curtiss and neutron scatterers David Lee Price and Marie-Louise Saboungi at Argonne, we used molecular dynamics to study the local structure and dynamics and ion transport in the polymer. The studies elucidated the mechanism of Li transport in PEO, revealing that the rate limiting step is extremely sensitive to the magnitude of the torsion forces in the backbone of the polymer. Because the torsion forces are difficult to manipulate chemically, this makes it easier to understand why improving the conductivity of PEO based electrolytes has proven to be very difficult. We studied the transport properties of cations in ionic liquids as possible additives to polymer membranes for batteries and fuel cells and found preliminary indications that the transport is enhanced near phase separation in acid-ionic liquid mixtures.

  17. Effect of Molecular Weight on the Ion Transport Mechanism in Polymerized Ionic Liquids

    DOE PAGES [OSTI]

    Fan, Fei; Wang, Weiyu; Holt, Adam P.; Feng, Hongbo; Uhrig, David; Lu, Xinyi; Hong, Tao; Wang, Yangyang; Kang, Nam-Goo; Mays, Jimmy; et al

    2016-06-07

    The unique properties of ionic liquids (ILs) have made them promising candidates for electrochemical applications. Polymerization of the corresponding ILs results in a new class of materials called polymerized ionic liquids (PolyILs). Though PolyILs offer the possibility to combine the high conductivity of ILs and the high mechanical strength of polymers, their conductivities are typically much lower than that of the corresponding small molecule ILs. In this study, seven PolyILs were synthesized having degrees of polymerization ranging from 1 to 333, corresponding to molecular weights (MW) from 482 to 160 400 g/mol. Depolarized dynamic light scattering, broadband dielectric spectroscopy, rheology,more » and differential scanning calorimetry were employed to systematically study the influence of MW on the mechanism of ionic transport and segmental dynamics in these materials. Finally, the modified Walden plot analysis reveals that the ion conductivity transforms from being closely coupled with structural relaxation to being strongly decoupled from it as MW increases.« less

  18. Ionic charge transport between blockages: Sodium cation conduction in freshly excised bulk brain tissue

    SciTech Connect

    Emin, David; Akhtari, Massoud; Ellingson, B. M.; Mathern, G. W.

    2015-08-15

    We analyze the transient-dc and frequency-dependent electrical conductivities between blocking electrodes. We extend this analysis to measurements of ions’ transport in freshly excised bulk samples of human brain tissue whose complex cellular structure produces blockages. The associated ionic charge-carrier density and diffusivity are consistent with local values for sodium cations determined non-invasively in brain tissue by MRI (NMR) and diffusion-MRI (spin-echo NMR). The characteristic separation between blockages, about 450 microns, is very much shorter than that found for sodium-doped gel proxies for brain tissue, >1 cm.

  19. Decoupling charge transport from the structural dynamics in room temperature ionic liquids

    SciTech Connect

    Griffin, Phillip; Agapov, Alexander L; Kisliuk, Alexander; Sun, Xiao-Guang; Dai, Sheng; Novikov, Vladimir; Sokolov, Alexei P

    2011-01-01

    Light scattering and dielectric spectroscopy measurements were performed on the room temperature ionic liquid (RTIL) [C4mim][NTf2] in a broad temperature and frequency range. Ionic conductivity was used to estimate self-diffusion of ions, while light scattering was used to study structural relaxation. We demonstrate that the ionic diffusion decouples from the structural relaxation process as the temperature of the sample decreases toward Tg. The strength of the decoupling appears to be significantly lower than that expected for a supercooled liquid of similar fragility. The structural relaxation process in the RTIL follows well the high-temperature mode coupling theory (MCT) scenario. Using the MCT analysis we estimated the dynamic crossover temperature in [C4mim][NTf2] to be Tc 225 5 K. However, our analysis reveals no sign of the dynamic crossover in the ionic diffusion process.

  20. Paving the way to nanoionics: Atomic origin of barriers for ionic transport through interfaces

    SciTech Connect

    Frechero, M. A.; Rocci, M.; Sanchez-Santolino, G.; Kumar, Amit; Salafranca, J.; Schmidt, Rainer; Diaz-Guillen, M. R.; Dura, O. J.; Rivera-Calzada, A.; Mishra, R.; Jesse, Stephen; Pantelides, S. T.; Kalinin, Sergei V.; Varela, M.; Pennycook, S. J.; Santamaria, J.; Leon, C.

    2015-12-17

    The blocking of ion transport at interfaces strongly limits the performance of electrochemical nanodevices for energy applications. The barrier is believed to arise from space-charge regions generated by mobile ions by analogy to semiconductor junctions. Here we show that something different is at play by studying ion transport in a bicrystal of yttria (9% mol) stabilized zirconia (YSZ), an emblematic oxide ion conductor. Aberration-corrected scanning transmission electron microscopy (STEM) provides structure and composition at atomic resolution, with the sensitivity to directly reveal the oxygen ion profile. We find that Y segregates to the grain boundary at Zr sites, together with a depletion of oxygen that is confined to a small length scale of around 0.5 nm. Contrary to the main thesis of the space-charge model, there exists no evidence of a long-range O vacancy depletion layer. Combining ion transport measurements across a single grain boundary by nanoscale electrochemical strain microscopy (ESM), broadband dielectric spectroscopy measurements, and density functional calculations, we show that grain-boundary-induced electronic states act as acceptors, resulting in a negatively charged core. In conclusion, besides the possible effect of the modified chemical bonding, this negative charge gives rise to an additional barrier for ion transport at the grain boundary.

  1. Paving the way to nanoionics: Atomic origin of barriers for ionic transport through interfaces

    DOE PAGES [OSTI]

    Frechero, M. A.; Rocci, M.; Sanchez-Santolino, G.; Kumar, Amit; Salafranca, J.; Schmidt, Rainer; Diaz-Guillen, M. R.; Dura, O. J.; Rivera-Calzada, A.; Mishra, R.; et al

    2015-12-17

    The blocking of ion transport at interfaces strongly limits the performance of electrochemical nanodevices for energy applications. The barrier is believed to arise from space-charge regions generated by mobile ions by analogy to semiconductor junctions. Here we show that something different is at play by studying ion transport in a bicrystal of yttria (9% mol) stabilized zirconia (YSZ), an emblematic oxide ion conductor. Aberration-corrected scanning transmission electron microscopy (STEM) provides structure and composition at atomic resolution, with the sensitivity to directly reveal the oxygen ion profile. We find that Y segregates to the grain boundary at Zr sites, together withmore » a depletion of oxygen that is confined to a small length scale of around 0.5 nm. Contrary to the main thesis of the space-charge model, there exists no evidence of a long-range O vacancy depletion layer. Combining ion transport measurements across a single grain boundary by nanoscale electrochemical strain microscopy (ESM), broadband dielectric spectroscopy measurements, and density functional calculations, we show that grain-boundary-induced electronic states act as acceptors, resulting in a negatively charged core. In conclusion, besides the possible effect of the modified chemical bonding, this negative charge gives rise to an additional barrier for ion transport at the grain boundary.« less

  2. Novel Energy Sources -Material Architecture and Charge Transport in Solid State Ionic Materials for Rechargeable Li ion Batteries

    SciTech Connect

    Katiyar, Ram S; Gómez, M; Majumder, S B; Morell, G; Tomar, M S; Smotkin, E; Bhattacharya, P; Ishikawa, Y

    2009-01-19

    Since its introduction in the consumer market at the beginning of 1990s by Sony Corporation ‘Li-ion rechargeable battery’ and ‘LiCoO2 cathode’ is an inseparable couple for highly reliable practical applications. However, a separation is inevitable as Li-ion rechargeable battery industry demand more and more from this well serving cathode. Spinel-type lithium manganate (e.g., LiMn2O4), lithium-based layered oxide materials (e.g., LiNiO2) and lithium-based olivine-type compounds (e.g., LiFePO4) are nowadays being extensively studied for application as alternate cathode materials in Li-ion rechargeable batteries. Primary goal of this project was the advancement of Li-ion rechargeable battery to meet the future demands of the energy sector. Major part of the research emphasized on the investigation of electrodes and solid electrolyte materials for improving the charge transport properties in Li-ion rechargeable batteries. Theoretical computational methods were used to select electrodes and electrolyte material with enhanced structural and physical properties. The effect of nano-particles on enhancing the battery performance was also examined. Satisfactory progress has been made in the bulk form and our efforts on realizing micro-battery based on thin films is close to give dividend and work is progressing well in this direction.

  3. Sandia Energy - Biofuels Blend Right In: Researchers Show Ionic...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Biofuels Blend Right In: Researchers Show Ionic Liquids Effective for Pretreating Mixed Blends of Biofuel Feedstocks Home Renewable Energy Energy Transportation Energy Biofuels...

  4. Ionic conductors for solid oxide fuel cells

    DOEpatents

    Krumpelt, Michael; Bloom, Ira D.; Pullockaran, Jose D.; Myles, Kevin M.

    1993-01-01

    An electrolyte that operates at temperatures ranging from 600.degree. C. to 800.degree. C. is provided. The electrolyte conducts charge ionically as well as electronically. The ionic conductors include molecular framework structures having planes or channels large enough to transport oxides or hydrated protons and having net-positive or net-negative charges. Representative molecular framework structures include substituted aluminum phosphates, orthosilicates, silicoaluminates, cordierites, apatites, sodalites, and hollandites.

  5. Partially fluorinated ionic compounds

    DOEpatents

    Han, legal representative, Amy Qi; Yang, Zhen-Yu

    2008-11-25

    Partially fluorinated ionic compounds are prepared. They are useful in the preparation of partially fluorinated dienes, in which the repeat units are cycloaliphatic.

  6. Transportation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Resources Policies, Manuals & References Map Transportation Publications ⇒ Navigate Section Resources Policies, Manuals & References Map Transportation Publications View Larger Map Main Address 1 Cyclotron Rd‎ University of California Berkeley Berkeley, CA 94720 The Laboratory is in Berkeley on the hillside directly above the campus of the University of California at Berkeley. Our address is 1 Cyclotron Road, Berkeley CA 94720. To make the Lab easily accessible, the

  7. Fission-Product Separation Based on Room-Temperature Ionic Liquids

    SciTech Connect

    Luo, Huimin; Hussey, Charles L.

    2005-09-30

    The objectives of this project are (a) to synthesize new ionic liquids tailored for the extractive separation of Cs + and Sr 2+; (b) to select optimum macrocyclic extractants through studies of complexation of fission products with macrocyclic extractants and transport in new extraction systems based on ionic liquids; (c) to develop efficient processes to recycle ionic liquids and crown ethers; and (d) to investigate chemical stabilities of ionic liquids under strong acid, strong base, and high-level-radiation conditions.

  8. Fission-Product Separation Based on Room-Temperature Ionic Liquids

    SciTech Connect

    Luo, Huimin; Rogers, Robin D.; Dai, Sheng, Dai; Bonnesen, Peter V.; Buchanan, A. C. III; Hussey, Charles L.

    2003-06-16

    The objectives of this project are (a) to synthesize new ionic liquids tailored for the extractive separation of Cs + and Sr 2+; (b) to select optimum macrocyclic extractants through studies of complexation of fission products with macrocyclic extractants and transport in new extraction systems based on ionic liquids; (c) to develop efficient processes to recycle ionic liquids and crown ethers; and (d) to investigate chemical stabilities of ionic liquids under strong acid, strong base, and high-level-radiation conditions.

  9. transportation

    National Nuclear Security Administration (NNSA)

    security missions undertaken by the U.S. government.

    Pantex Plant's Calvin Nelson honored as Analyst of the Year for Transportation Security http:nnsa.energy.gov...

  10. Ionic Liquid Pretreatment Technologies

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Ionic Liquid Pretreatment EERE Webinar June 24, 2013 Blake Simmons, Ph.D. Vice-President, Deconstruction Division, Joint BioEnergy Institute Senior Manager, Biomass Program Lead, Sandia National Laboratories INTRODUCTION - IONIC LIQUIDS * Salts that are liquid at ambient temperatures. * Have stable liquid range of over 300 K. * Very low vapour pressure at room temperature. * Selective solubility of water and organics. * Potential to replace volatile organic solvents used in processes * Often

  11. WIPP Documents - Transportation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation

  12. CX-004090: Categorical Exclusion Determination

    Energy.gov [DOE]

    Development of Reaction-Driven Ionic Transport Membranes (ITM) TechnologyCX(s) Applied: B3.6Date: 09/30/2010Location(s): University Park, PennsylvaniaOffice(s): Fossil Energy, National Energy Technology Laboratory

  13. CX-004087: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Development of Reaction-Driven Ionic Transport Membranes (ITM) TechnologyCX(s) Applied: B3.6Date: 09/30/2010Location(s): Salt Lake City, UtahOffice(s): Fossil Energy, National Energy Technology Laboratory

  14. CX-004084: Categorical Exclusion Determination

    Office of Energy Efficiency and Renewable Energy (EERE)

    Development of Reaction-Driven Ionic Transport Membranes (ITM) TechnologyCX(s) Applied: B3.6Date: 09/30/2010Location(s): Allentown, PennsylvaniaOffice(s): Fossil Energy, National Energy Technology Laboratory

  15. Fission-Product Separation Based on Room-Temperature Ionic Liquids (OR08SP24-16)

    SciTech Connect

    Luo, Huimin; Bonnesen, Peter V.; Rogers, Robin D.; Dai, Sheng; Buchanan, A. C. III; Hussey, Charles L.

    2002-06-15

    The objectives of this project are (a) to synthesize new ionic liquids tailored for the extractive separation of Cs + and Sr 2+; (b) to select optimum macrocyclic extractants through studies of complexation of fission products with macrocyclic extractants and transport in new extraction systems based on ionic liquids; (c) to develop efficient processes to recycle ionic liquids and crown ethers; and (d) to investigate chemical stabilities of ionic liquids under strong acid, strong base, and high-level-radiation conditions.

  16. Synthesis of ionic liquids

    DOEpatents

    Dai, Sheng [Knoxville, TN; Luo, Huimin [Knoxville, TN

    2008-09-09

    Ionic compounds which are liquids at room temperature are formed by the method of mixing a neutral organic liqand with the salt of a metal cation and its conjugate anion. The liquids are hydrophobic, conductive and stable and have uses as solvents and in electrochemical devices.

  17. Synthesis of ionic liquids

    DOEpatents

    Dai, Sheng (Knoxville, TN); Luo, Huimin (Knoxville, TN)

    2011-11-01

    Ionic compounds which are liquids at room temperature are formed by the method of mixing a neutral organic ligand with the salt of a metal cation and its conjugate anion. The liquids are hydrophobic, conductive and stable and have uses as solvents and in electrochemical devices.

  18. Super ionic conductive glass

    DOEpatents

    Susman, S.; Volin, K.J.

    Described is an ionically conducting glass for use as a solid electrolyte in a power or secondary cell containing an alkali metal-containing anode and a cathode separated by an alkali metal ion conducting glass having an ionic transference number of unity and the general formula: A/sub 1 + x/D/sub 2-x/3/Si/sub x/P/sub 3 - x/O/sub 12 - 2x/3/, wherein A is a network modifier for the glass and is an alkali metal of the anode, D is an intermediate for the glass and is selected from the class consisting of Zr, Ti, Ge, Al, Sb, Be, and Zn and X is in the range of from 2.25 to 3.0. Of the alkali metals, Na and Li are preferred and of the intermediate, Zr, Ti and Ge are preferred.

  19. Super ionic conductive glass

    DOEpatents

    Susman, Sherman; Volin, Kenneth J.

    1984-01-01

    An ionically conducting glass for use as a solid electrolyte in a power or secondary cell containing an alkali metal-containing anode and a cathode separated by an alkali metal ion conducting glass having an ionic transference number of unity and the general formula: A.sub.1+x D.sub.2-x/3 Si.sub.x P.sub.3-x O.sub.12-2x/3, wherein A is a network modifier for the glass and is an alkali metal of the anode, D is an intermediate for the glass and is selected from the class consisting of Zr, Ti, Ge, Al, Sb, Be, and Zn and X is in the range of from 2.25 to 3.0. Of the alkali metals, Na and Li are preferred and of the intermediate, Zr, Ti and Ge are preferred.

  20. Preparation and purification of ionic liquids and precursors

    DOEpatents

    Burrell, Anthony K.; Warner, Benjamin P.; McCleskey, T. Mark; Agrawal, Anoop

    2010-07-27

    Substantially pure ionic liquids and ionic liquid precursors were prepared. The substantially pure ionic liquid precursors were used to prepare substantially pure ionic liquids.

  1. Ionic liquids, electrolyte solutions including the ionic liquids, and energy storage devices including the ionic liquids

    SciTech Connect

    Gering, Kevin L.; Harrup, Mason K.; Rollins, Harry W.

    2015-12-08

    An ionic liquid including a phosphazene compound that has a plurality of phosphorus-nitrogen units and at least one pendant group bonded to each phosphorus atom of the plurality of phosphorus-nitrogen units. One pendant group of the at least one pendant group comprises a positively charged pendant group. Additional embodiments of ionic liquids are disclosed, as are electrolyte solutions and energy storage devices including the embodiments of the ionic liquid.

  2. Phytoremediation of Ionic and Methyl Mercury Pollution

    SciTech Connect

    Meagher, Richard B.

    2005-06-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems. Our current strategy is to engineer plants to

  3. Phytoremediation of Ionic and Methyl Mercury Pollution

    SciTech Connect

    Meagher, Richard B.

    2005-06-01

    control the chemical speciation, electrochemical state, transport, and aboveground binding of mercury in order to manage this toxicant. To advance this mercury phytoremediation strategy, our planned research focuses on the following Specific Aims: (1) to increase the transport of mercury to aboveground tissue; (2) to identify small mercury binding peptides that enhance hyperaccumulation aboveground; (3) to test the ability of multiple genes acting together to enhance resistance and hyperaccumulation; (4) to construct a simple molecular system for creating male/female sterility, allowing engineered grass, shrub, and tree species to be released indefinitely at contaminated sites; (5) to test the ability of transgenic cottonwood and rice plants to detoxify ionic mercury and prevent methylmercury release from contaminated sediment; and (6) to initiate field testing with transgenic cottonwood and rice for the remediation of methylmercury and ionic mercury. The results of these experiments will enable the phytoremediation of methyl- and ionic mercury by a wide spectrum of deep-rooted, fast-growing plants adapted to diverse environments. We have made significant progress on all six of these specific aims as summarized below.

  4. Novel approaches to ionic chromatography

    SciTech Connect

    Dasgupta, P.K.

    1990-11-01

    Research during this reporting period, continued on ionic chromatography. Major progress has been made towards on-line on-demand generation of ultrapure chemicals by electrochemical means. The concentration of the generated material is governed electrochemically.

  5. ionic | netl.doe.gov

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    of Notre Dame is developing a new ionic liquid absorbent and accompanying process that enables 90 percent of the post-combustion CO2 to be removed from a coal-fired power plant. ...

  6. Hydrophobic ionic liquids

    DOEpatents

    Koch, Victor R.; Nanjundiah, Chenniah; Carlin, Richard T.

    1998-01-01

    Ionic liquids having improved properties for application in non-aqueous batteries, electrochemical capacitors, electroplating, catalysis and chemical separations are disclosed. Exemplary compounds have one of the following formulas: ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, and R.sub.6 are either H; F; separate alkyl groups of from 1 to 4 carbon atoms, respectively, or joined together to constitute a unitary alkylene radical of from 2 to 4 carbon atoms forming a ring structure converging on N; or separate phenyl groups; and wherein the alkyl groups, alkylene radicals or phenyl groups may be substituted with electron withdrawing groups, preferably F--, Cl--, CF.sub.3 --, SF.sub.5 --, CF.sub.3 S--, (CF.sub.3).sub.2 CHS-- or (CF.sub.3).sub.3 CS--; and X.sup.- is a non-Lewis acid-containing polyatomic anion having a van der Waals volume exceeding 100 .ANG..sup.3.

  7. Hydrophobic ionic liquids

    DOEpatents

    Koch, V.R.; Nanjundiah, C.; Carlin, R.T.

    1998-10-27

    Ionic liquids having improved properties for application in non-aqueous batteries, electrochemical capacitors, electroplating, catalysis and chemical separations are disclosed. Exemplary compounds have one of the following formulas shown in a diagram wherein R{sub 1}, R{sub 2}, R{sub 3}, R{sub 4}, R{sub 5}, and R{sub 6} are either H; F; separate alkyl groups of from 1 to 4 carbon atoms, respectively, or joined together to constitute a unitary alkylene radical of from 2 to 4 carbon atoms forming a ring structure converging on N; or separate phenyl groups; and wherein the alkyl groups, alkylene radicals or phenyl groups may be substituted with electron withdrawing groups, preferably F-, Cl-, CF{sub 3}-, SF{sub 5}-, CF{sub 3}S-, (CF{sub 3}){sub 2}CHS- or (CF{sub 3}){sub 3}CS-; and X{sup {minus}} is a non-Lewis acid-containing polyatomic anion having a van der Waals volume exceeding 100 {angstrom}{sup 3}. 4 figs.

  8. Clustering effects in ionic polymers: Molecular dynamics simulations

    SciTech Connect

    Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

    2015-08-18

    Ionic clusters control the structure, dynamics, and transport in soft matter. Incorporating a small fraction of ionizable groups in polymers substantially reduces the mobility of the macromolecules in melts. Furthermore, these ionic groups often associate into random clusters in melts, where the distribution and morphology of the clusters impact the transport in these materials. Here, using molecular dynamic simulations we demonstrate a clear correlation between cluster size and morphology with the polymer mobility in melts of sulfonated polystyrene. We show that in low dielectric media ladderlike clusters that are lower in energy compared with spherical assemblies are formed. Reducing the electrostatic interactions by enhancing the dielectric constant leads to morphological transformation from ladderlike clusters to globular assemblies. Finally, decrease in electrostatic interaction significantly enhances the mobility of the polymer.

  9. Clustering effects in ionic polymers: Molecular dynamics simulations

    DOE PAGES [OSTI]

    Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

    2015-08-18

    Ionic clusters control the structure, dynamics, and transport in soft matter. Incorporating a small fraction of ionizable groups in polymers substantially reduces the mobility of the macromolecules in melts. Furthermore, these ionic groups often associate into random clusters in melts, where the distribution and morphology of the clusters impact the transport in these materials. Here, using molecular dynamic simulations we demonstrate a clear correlation between cluster size and morphology with the polymer mobility in melts of sulfonated polystyrene. We show that in low dielectric media ladderlike clusters that are lower in energy compared with spherical assemblies are formed. Reducing themore » electrostatic interactions by enhancing the dielectric constant leads to morphological transformation from ladderlike clusters to globular assemblies. Finally, decrease in electrostatic interaction significantly enhances the mobility of the polymer.« less

  10. Lithium ion conducting ionic electrolytes

    DOEpatents

    Angell, C. Austen; Xu, Kang; Liu, Changle

    1996-01-01

    A liquid, predominantly lithium-conducting, ionic electrolyte is described which has exceptionally high conductivity at temperatures of 100.degree. C. or lower, including room temperature. It comprises molten lithium salts or salt mixtures in which a small amount of an anionic polymer lithium salt is dissolved to stabilize the liquid against recrystallization. Further, a liquid ionic electrolyte which has been rubberized by addition of an extra proportion of anionic polymer, and which has good chemical and electrochemical stability, is described. This presents an attractive alternative to conventional salt-in-polymer electrolytes which are not cationic conductors.

  11. Lithium ion conducting ionic electrolytes

    DOEpatents

    Angell, C.A.; Xu, K.; Liu, C.

    1996-01-16

    A liquid, predominantly lithium-conducting, ionic electrolyte is described which has exceptionally high conductivity at temperatures of 100 C or lower, including room temperature. It comprises molten lithium salts or salt mixtures in which a small amount of an anionic polymer lithium salt is dissolved to stabilize the liquid against recrystallization. Further, a liquid ionic electrolyte which has been rubberized by addition of an extra proportion of anionic polymer, and which has good chemical and electrochemical stability, is described. This presents an attractive alternative to conventional salt-in-polymer electrolytes which are not cationic conductors. 4 figs.

  12. Nanoparticle enhanced ionic liquid heat transfer fluids

    DOEpatents

    Fox, Elise B.; Visser, Ann E.; Bridges, Nicholas J.; Gray, Joshua R.; Garcia-Diaz, Brenda L.

    2014-08-12

    A heat transfer fluid created from nanoparticles that are dispersed into an ionic liquid is provided. Small volumes of nanoparticles are created from e.g., metals or metal oxides and/or alloys of such materials are dispersed into ionic liquids to create a heat transfer fluid. The nanoparticles can be dispersed directly into the ionic liquid during nanoparticle formation or the nanoparticles can be formed and then, in a subsequent step, dispersed into the ionic liquid using e.g., agitation.

  13. Radiation Chemistry and Photochemistry of Ionic Liquids

    SciTech Connect

    Wishart, J.F.; Takahaski, K.

    2010-12-01

    As our understanding of ionic liquids and their tunable properties has grown, it is possible to see many opportunities for ionic liquids to contribute to the sustainable use of energy. The potential safety and environmental benefits of ionic liquids, as compared to conventional solvents, have attracted interest in their use as processing media for the nuclear fuel cycle. Therefore, an understanding of the interactions of ionizing radiation and photons with ionic liquids is strongly needed. However, the radiation chemistry of ionic liquids is still a relatively unexplored topic although there has been a significant increase in the number of researchers in the field recently. This article provides a brief introduction to ionic liquids and their interesting properties, and recent advances in the radiation chemistry and photochemistry of ionic liquids. In this article, we will mainly focus on excess electron dynamics and radical reaction dynamics. Because solvation dynamics processes in ionic liquids are much slower than in molecular solvents, one of the distinguishing characteristics is that pre-solvated electrons play an important role in ionic liquid radiolysis. It will be also shown that the reaction dynamics of radical ions is significantly different from that observed in molecular solvents because of the Coulombic screening effects and electrostatic interactions in ionic liquids.

  14. Enhanced ionic conductivity in oxide heterostructures

    SciTech Connect

    Garcia-Barriocanal, Javier; Rivera-Calzada, Alberto; Varela del Arco, Maria; Sefrioui, Z.; Iborra, Enrique; Leon, C.; Pennycook, Stephen J; Santamaria, J.

    2010-01-01

    Fuel cells are electrochemical devices used to generate energy out of hydrogen. In a fuel cell, two conducting electrodes are separated by an electrolyte that is permeable to ions (either hydrogen or oxygen, depending on the fuel-cell category) but not to electrons. An electrode catalytic process yields the ionic species, which are transported through the electrolyte, while electrons blocked by the electrolyte pass through the external circuit. Polymeric membrane (PEMFC) or phosphoric acid fuel cells (PAFC) operating at low temperatures are the preferred option for transportation because of their quite large efficiencies (50%), compared with gasoline combustion engines (25%). Other uses are also being considered, such as battery replacements for personal electronics and stationary or portable emergency power. Solid-oxide fuel cells (SOFCs), operating at high temperatures, are a better option for stationary power generation because of their scalability. Here O{sup 2-} ions are the mobile species that travel at elevated temperatures (800-1000 C) through a solid electrolyte material to react with H{sup +} ions in the anode to produce water (Fig. 1). The high operating temperatures of solid oxide fuel cells are a major impediment to their widespread use in power generation. Thus, reducing this operating temperature is currently a major materials research goal, involving the search for novel electrolytes as well as active catalysts for electrode kinetics (oxygen reduction and hydrogen oxidation). Among oxide-ion conductors, those of anion-deficient fluorite structures such as yttria-stabilized zirconia (YSZ), xY{sub 2}O{sub 3}:(1-x) ZrO{sub 2}, are extensively used as electrolytes in SOFCs. Doping with Y{sub 2}O{sub 3} is known to stabilize the cubic fluorite structure of ZrO{sub 2} and to supply the oxygen vacancies responsible for the ionic conduction. These materials are characterized by a large number of mobile oxygen vacancies, which are randomly distributed in the

  15. Partially fluorinated cyclic ionic polymers and membranes

    DOEpatents

    Yang, Zhen-Yu

    2013-04-09

    Ionic polymers are made from selected partially fluorinated dienes, in which the repeat units are cycloaliphatic. The polymers are formed into membranes.

  16. Membrane separation of ionic liquid solutions

    SciTech Connect

    Campos, Daniel; Feiring, Andrew Edward; Majumdar, Sudipto; Nemser, Stuart

    2015-09-01

    A membrane separation process using a highly fluorinated polymer membrane that selectively permeates water of an aqueous ionic liquid solution to provide dry ionic liquid. Preferably the polymer is a polymer that includes polymerized perfluoro-2,2-dimethyl-1,3-dioxole (PDD). The process is also capable of removing small molecular compounds such as organic solvents that can be present in the solution. This membrane separation process is suitable for drying the aqueous ionic liquid byproduct from precipitating solutions of biomass dissolved in ionic liquid, and is thus instrumental to providing usable lignocellulosic products for energy consumption and other industrial uses in an environmentally benign manner.

  17. Ionic Liquids Create More Sustainable Processes

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Ionic Liquids Create More Sustainable Processes - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy ...

  18. Thermophilic Cellulases Compatible with Ionic Liquid Pretreatment...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Ionic liquids dissolve cellulose, which can then be separated out in an additional process. However, significant decreases in the available commercial fungal cellulase activity in ...

  19. Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

    SciTech Connect

    Wishart,J.F.

    2008-09-29

    the influence of ILs on charge transport processes. Picosecond pulse radiolysis studies at BNL's Laser-Electron Accelerator Facility (LEAF) are used to identify reactive species in ionic liquids and measure their solvation and reaction rates. We and our collaborators (R. Engel (Queens College, CUNY) and S. Lall-Ramnarine, (Queensborough CC, CUNY)) develop and characterize new ionic liquids specifically designed for our radiolysis and solvation dynamics studies. IL solvation and rotational dynamics are measured by TCSPC and fluorescence upconversion measurements in the laboratory of E. W. Castner at Rutgers Univ. Investigations of radical species in irradiated ILs are carried out at ANL by I. Shkrob and S. Chemerisov using EPR spectroscopy. Diffusion rates are obtained by PGSE NMR in S. Greenbaum's lab at Hunter College, CUNY and S. Chung's lab at William Patterson U. Professor Mark Kobrak of CUNY Brooklyn College performs molecular dynamics simulations of solvation processes. A collaboration with M. Dietz at U. Wisc. Milwaukee is centered around the properties and radiolytic behavior of ionic liquids for nuclear separations. Collaborations with C. Reed (UC Riverside), D. Gabel (U. Bremen) and J. Davis (U. South Alabama) are aimed at characterizing the radiolytic and other properties of borated ionic liquids, which could be used to make fissile material separations processes inherently safe from criticality accidents.

  20. Ionic Liquid Pretreatment Technologies | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Ionic Liquid Pretreatment Technologies Ionic Liquid Pretreatment Technologies These slides were used as a presentation by Dr. Blake Simmons on June 24, 2013, for the bimonthly BETO webinar. june2013_snl_webinar.pdf (4.32 MB) More Documents & Publications 2015 Peer Review Presentations-Biochemical Conversion Innovative Topics for Advanced Biofuels 2013 Peer Review Presentations-Biochemical Conversion

  1. Engineered microorganisms having resistance to ionic liquids

    DOEpatents

    Ruegg, Thomas Lawrence; Thelen, Michael P.

    2016-03-22

    The present invention provides for a method of genetically modifying microorganisms to enhance resistance to ionic liquids, host cells genetically modified in accordance with the methods, and methods of using the host cells in a reaction comprising biomass that has been pretreated with ionic liquids.

  2. Enhanced Mixed Electronic-Ionic Conductors through Cation Ordering

    SciTech Connect

    Jacobson, Allan J.; Morgan, Dane; Grey, Clare

    2014-08-31

    The performance of many energy conversion and storage devices depend on the properties of mixed ionic-electronic conducting (miec) materials. Mixed or ambipolar conductors simultaneously transport ions and electrons and provide the critical interface between chemical and electrical energy in devices such as fuel cells, ion transport membranes, and batteries. Enhancements in storage capacity, reversibility, power density and device lifetime all require new materials and a better understanding of the fundamentals of ambipolar conductivity and surface reactivity.The high temperature properties of the ordered perovksites AA’B2O5+x, where A = rare earth ion, Y and B = Ba, Sr were studied. The work was motivated by the high oxygen transport and surface exchange rates observed for members of this class of mixed ionic and electronic conductors. A combined experimental and computational approach, including structural, electrochemical, and transport characterization and modeling was used. The approach attacks the problem simultaneously at global (e.g., neutron diffraction and impedance spectroscopy), local (e.g., pair distribution function, nuclear magnetic resonance) and molecular (ab initio thermokinetic modeling) length scales. The objectives of the work were to understand how the cation and associated anion order lead to exceptional ionic and electronic transport properties and surface reactivity in AA’B2O5+x perovskites. A variety of compounds were studied by X-ray and neutron diffraction, measurements of thermodynamics and transport and theoretically. These included PrBaCo2O5+x and NdBaCo2O5+x, PrBaCo2-xFexO6- δ (x = 0, 0.5, 1.0, 1.5 and 2) and LnBaCoFeO6- δ (Ln = La, Pr, Nd, Sm, Eu and Gd), Sr3YCo4O10.5, YBaMn2O5+x. A0.5A’0.5BO3 (where A=Y, Sc, La, Ce, Pr, Nd, Pm, Sm; A’= Sr

  3. Lithium-Air and ionic Liquids

    SciTech Connect

    Kellar, Michael

    2015-09-01

    The final portion of this project was accomplished at Sandia National Labs, Livermore, with the overall goal being to optimize lithium-air cells with an ionic liquid electrolyte. Both of these are potential future routes for lithium-ion technology. Lithiumair presents the advantage of higher gravimetric energy density, and ionic liquids present the advantage of greater hydrophobicity and much lower volatility, along with a larger window of electrochemical stability. Ionic liquids however have several drawbacks for the battery industry. Currently they are not as cost effective as many organic solvents. Additionally, because of the added viscosity of ionic interactions compared to the typical dipole interactions of a solvent, the ionic conductivity is lower than for common organic solvents.

  4. Nanoscale lubrication of ionic surfaces controlled via a strong...

    Office of Scientific and Technical Information (OSTI)

    Nanoscale lubrication of ionic surfaces controlled via a strong electric field Prev Next Title: Nanoscale lubrication of ionic surfaces controlled via a strong electric field ...

  5. Recovery of sugars from ionic liquid biomass liquor by solvent...

    Office of Scientific and Technical Information (OSTI)

    Recovery of sugars from ionic liquid biomass liquor by solvent extraction Citation Details In-Document Search Title: Recovery of sugars from ionic liquid biomass liquor by solvent ...

  6. Ionic Effects on the Behavior of Thermoresponsive PEO-PNIPAAm...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Ionic Effects on the Behavior of Thermoresponsive PEO-PNIPAAm Block Copolymers. Citation Details In-Document Search Title: Ionic Effects on the Behavior of...

  7. TOUGHREACT Testing in High Ionic Strength Brine Sandstone Systems...

    Office of Scientific and Technical Information (OSTI)

    Title: TOUGHREACT Testing in High Ionic Strength Brine Sandstone Systems Deep saline formations and oil and gas reservoirs often contain concentrated brine solutions of ionic ...

  8. Low Temperature Reduction of Alumina Using Fluorine Containing Ionic Liquids

    SciTech Connect

    Dr. R. G. Reddy

    2007-09-01

    phenomena involved in aluminum deposition on copper in AlCl3-BMIMCl electrolyte was found to be instantaneous followed by diffusion controlled three-dimensional growth of nuclei. Diffusion coefficient (Do) of the electroactive species Al2Cl7¯ ion was in the range from 6.5 to 3.9×10–7 cm2∙s–1 at a temperature of 30°C. Relatively little research efforts have been made toward the fundamental understanding and modeling of the species transport and transformation information involved in ionic liquid mixtures, which eventually could lead to quantification of electrochemical properties. Except that experimental work in this aspect usually is time consuming and expensive, certain characteristics of ionic liquids also made barriers for such analyses. Low vapor pressure and high viscosity make them not suitable for atomic absorption spectroscopic measurement. In addition, aluminum electrodeposition in ionic liquid electrolytes are considered to be governed by multi-component mass, heat and charge transport in laminar and turbulent flows that are often multi-phase due to the gas evolution at the electrodes. The kinetics of the electrochemical reactions is in general complex. Furthermore, the mass transfer boundary layer is about one order of magnitude smaller than the thermal and hydrodynamic boundary layer (Re=10,000). Other phenomena that frequently occur are side reactions and temperature or concentration driven natural convection. As a result of this complexity, quantitative knowledge of the local parameters (current densities, ion concentrations, electrical potential, temperature, etc.) is very difficult to obtain. This situation is a serious obstacle for improving the quality of products, efficiency of manufacturing and energy consumption. The gap between laboratory/batch scale processing with global process control and nanoscale deposit surface and materials specifications needs to be bridged. A breakthrough can only be realized if on each scale the occurring phenomena

  9. IONIC LIQUIDS: RADIATION CHEMISTRY, SOLVATION DYNAMICS AND REACTIVITY PATTERNS.

    SciTech Connect

    WISHART,J.F.

    2007-10-01

    energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate the influence of ILs on charge transport processes. Methods. Picosecond pulse radiolysis studies at BNL

  10. Ionic liquids for rechargeable lithium batteries

    SciTech Connect

    Salminen, Justin; Papaiconomou, Nicolas; Kerr, John; Prausnitz,John; Newman, John

    2005-09-29

    We have investigated possible anticipated advantages of ionic-liquid electrolytes for use in lithium-ion batteries. Thermal stabilities and phase behavior were studied by thermal gravimetric analysis and differential scanning calorimetry. The ionic liquids studied include various imidazoliumTFSI systems, pyrrolidiniumTFSI, BMIMPF{sub 6}, BMIMBF{sub 4}, and BMIMTf. Thermal stabilities were measured for neat ionic liquids and for BMIMBF{sub 4}-LiBF{sub 4}, BMIMTf-LiTf, BMIMTFSI-LiTFSI mixtures. Conductivities have been measured for various ionic-liquid lithium-salt systems. We show the development of interfacial impedance in a Li|BMIMBF{sub 4} + LiBF{sub 4}|Li cell and we report results from cycling experiments for a Li|BMIMBF{sub 4} + 1 mol/kg LIBF{sub 4}|C cell. The interfacial resistance increases with time and the ionic liquid reacts with the lithium electrode. As expected, imidazolium-based ionic liquids react with lithium electrodes. We seek new ionic liquids that have better chemical stabilities.

  11. Phosphonium-based ionic liquids and uses

    DOEpatents

    Del Sesto, Rico E; Koppisch, Andrew T; Lovejoy, Katherine S; Purdy, Geraldine M

    2014-12-30

    Phosphonium-based room temperature ionic liquids ("RTILs") were prepared. They were used as matrices for Matrix-Assisted Laser Desorption Ionization (MALDI) mass spectrometry and also for preparing samples of dyes for analysis.

  12. Synthesis of Ionic Liquids - Energy Innovation Portal

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Hydrogen and Fuel Cell Hydrogen and Fuel Cell Energy Storage Energy Storage Advanced Materials Advanced Materials Find More Like This Return to Search Synthesis of Ionic Liquids Ionic Liquids for Chemical Separation Processes Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing Summary Chemical separation, such as processes producing alkanes from olefins, often requires series of distillation steps that are highly energy intensive. Description Scientists at ORNL

  13. Superbase-derived protic ionic liquids

    DOEpatents

    Dai, Sheng; Luo, Huimin; Baker, Gary A.

    2013-09-03

    Protic ionic liquids having a composition of formula (A.sup.-)(BH.sup.+) wherein A.sup.- is a conjugate base of an acid HA, and BH.sup.+ is a conjugate acid of a superbase B. In particular embodiments, BH.sup.+ is selected from phosphazenium species and guanidinium species encompassed, respectively, by the general formulas: ##STR00001## The invention is also directed to films and membranes containing these protic ionic liquids, with particular application as proton exchange membranes for fuel cells.

  14. Ionic Liquid Sorbents for Carbon Capture - Energy Innovation Portal

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Advanced Materials Advanced Materials Find More Like This Return to Search Ionic Liquid Sorbents for Carbon Capture Ionic liquids for carbon capture and gas separation National Energy Technology Laboratory Contact NETL About This Technology Ionic liquids Ionic liquids Technology Marketing Summary Research is active on technologies for application of ionic liquids to carbon capture or other separation processes in energy systems. The technologies consist of materials and methods that promise to

  15. Equations of state and transport properties of mixtures in the warm dense regime

    SciTech Connect

    Hou, Yong; Dai, Jiayu; Kang, Dongdong; Ma, Wen; Yuan, Jianmin

    2015-02-15

    We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide region of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.

  16. Pressure effect on ionic conductivity in yttrium-oxide-doped single-crystal zirconium oxide

    SciTech Connect

    Park, E.T.; Park, J.H.

    1998-06-01

    In this study, the authors investigated the effect of pressure on the ionic conductivity of a 9.5 mol% yttria-stabilized zirconia (YSZ) single crystal. The experiment was conducted in the elastic region, and the oxygen ion transport number was unity (t{sub ion} > 0.99999). A conventional four-probe DC method was used to measure the ionic conductivity of the rectangular-shaped sample under uniaxial pressures up to 600 atm at 750 C in air. Measured ionic conductivity decreased as applied pressure increased. Based on henry Eyring`s absolute reaction rate theory, which states that the calculated activation volume has a positive value ({Delta}V{sup 2} = 2.08 cm{sup 3}/mol of O{sup {minus}2}) for oxygen ion transport in the fluoride cubic lattice, they concluded that the results they obtained could be explained by an oxygen ion transport mechanism. This mechanism can explain the fact that the interionic distance increases during oxygen ion transport from one unit cell to neighboring unit cells.

  17. Separation of Fission Products Based on Ionic Liquids: Anion Effect

    SciTech Connect

    Luo, Huimin; Dai, Sheng; Bonnesen, Peter V.

    2004-03-28

    The applications of ionic liquids (ILs) as new separation media have been actively investigated recently. The most commonly studied class of ILs for such applications is based on dialkyl imidazolium cations. In comparison with conventional molecular solvents, ILs exhibit enhanced distribution coefficients for a number of complexing neutral ligands in extraction of metal ions from aqueous solutions. The effect of the alkyl chain length of imidazolium cations on the distribution coefficients of solvent extraction using crown ethers was the subject of a number of the previous investigations. The distribution coefficients have been found to decrease with the alkyl chain length of the IL cations. This observation implies that the extraction process also involves the exchange of the IL cations with metal ions. The longer the alkyl chain lengths of the IL cations are, the more hydrophobic the IL cations are and the more difficult to be transported into aqueous phases via ion exchange. Accordingly, the ion-exchange process is another unique property of IL-based extractions involving charged species. Here, we report the investigation about the effect of the variation of IL anions on the solvent extraction of metal ions using crown ethers as extractants. The elucidation of different solvation effects involved in ionic liquids could lead to optimized separation media for these novel solvents.

  18. Multiphysics simulation of corona discharge induced ionic wind

    SciTech Connect

    Cagnoni, Davide; MOX - Dipartimento di Matematica F. Brioschi, Politecnico di Milano, 20133 Milano ; Agostini, Francesco; Christen, Thomas; Parolini, Nicola; Stevanovi?, Ivica; Laboratory of Electromagnetics and Acoustics, Ecole Polytechnique Fdrale de Lausanne, CH-1015 Lausanne ; Falco, Carlo de; CEN - Centro Europeo di Nanomedicina, 20133 Milano

    2013-12-21

    Ionic wind devices or electrostatic fluid accelerators are becoming of increasing interest as tools for thermal management, in particular for semiconductor devices. In this work, we present a numerical model for predicting the performance of such devices; its main benefit is the ability to accurately predict the amount of charge injected from the corona electrode. Our multiphysics numerical model consists of a highly nonlinear, strongly coupled set of partial differential equations including the Navier-Stokes equations for fluid flow, Poisson's equation for electrostatic potential, charge continuity, and heat transfer equations. To solve this system we employ a staggered solution algorithm that generalizes Gummel's algorithm for charge transport in semiconductors. Predictions of our simulations are verified and validated by comparison with experimental measurements of integral physical quantities, which are shown to closely match.

  19. Research progress on ionic plasmas generated in an intense hydrogen negative ion source

    SciTech Connect

    Takeiri, Y. Tsumori, K.; Nagaoka, K.; Kaneko, O.; Ikeda, K.; Nakano, H.; Kisaki, M.; Tokuzawa, T.; Osakabe, M.; Kondo, T.; Sato, M.; Shibuya, M.; Komada, S.; Sekiguchi, H.; Geng, S.

    2015-04-08

    Characteristics of ionic plasmas, observed in a high-density hydrogen negative ion source, are investigated with a multi-diagnostics system. The ionic plasma, which consists of hydrogen positive- and negative-ions with a significantly low-density of electrons, is generated in the ion extraction region, from which the negative ions are extracted through the plasma grid. The negative ion density, i.e., the ionic plasma density, as high as the order of 110{sup 17}m{sup ?3}, is measured with cavity ring-down spectroscopy, while the electron density is lower than 110{sup 16}m{sup ?3}, which is confirmed with millimeter-wave interferometer. Reduction of the negative ion density is observed at the negative ion extraction, and at that time the electron flow into the ionic plasma region is observed to conserve the charge neutrality. Distribution of the plasma potential is measured in the extraction region in the direction normal to the plasma grid surface with a Langmuir probe, and the results suggest that the sheath is formed at the plasma boundary to the plasma grid to which the bias voltage is applied. The beam extraction should drive the negative ion transport in the ionic plasma across the sheath formed on the extraction surface. Larger reduction of the negative ions at the beam extraction is observed in a region above the extraction aperture on the plasma grid, which is confirmed with 2D image measurement of the H? emission and cavity ring-down spectroscopy. The electron distribution is also measured near the plasma grid surface. These various properties observed in the ionic plasma are discussed.

  20. Enzyme activity in dialkyl phosphate ionic liquids

    SciTech Connect

    Thomas, M.F.; Dunn, J.; Li, L.-L.; Handley-Pendleton, J. M.; van der lelie, D.; Wishart, J. F.

    2011-12-01

    The activity of four metagenomic enzymes and an enzyme cloned from the straw mushroom, Volvariellavolvacea were studied in the following ionic liquids, 1,3-dimethylimidazolium dimethyl phosphate, [mmim][dmp], 1-ethyl-3-methylimidazolium dimethyl phosphate, [emim][dmp], 1-ethyl-3-methylimidazolium diethyl phosphate, [emim][dep] and 1-ethyl-3-methylimidazolium acetate, [emim][OAc]. Activity was determined by analyzing the hydrolysis of para-nitrobenzene carbohydrate derivatives. In general, the enzymes were most active in the dimethyl phosphate ionic liquids, followed by acetate. Generally speaking, activity decreased sharply for concentrations of [emim][dep] above 10% v/v, while the other ionic liquids showed less impact on activity up to 20% v/v.

  1. Electric dipole moments (EDM) of ionic atoms

    SciTech Connect

    Oshima, Sachiko

    2010-03-15

    Recent investigations show that the second-order perturbation calculations of electric dipole moments (EDM) from the finite nuclear size as well as the relativistic effects are all canceled out by the third-order perturbation effects and that this is due to electron screening. To derive the nucleon EDM from the nucleus, we propose to measure the EDM of an ionic system. In this case, it is shown that the nucleon EDM can survive by the reduction factor of 1/Z for the ionic system with one electron stripped off.

  2. Ionic Liquids as Multi-Functional Lubricant Additives to Enhance...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Vehicle Technologies Office Merit Review 2014: Ionic Liquids as Anti-Wear Additives for Next-Generation Low-Viscosity Fuel-Efficient Engine Lubricants Ionic Liquids as Novel Engine ...

  3. Synergistic Effects of Mixing Sulfone and Ionic Liquid as Safe...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    as Safe Electrolytes for Lithium Sulfur Batteries a) Structures of the ionic liquid (IL) ... A strategy of mixing both an ionic liquid and sulfone is applied in Li-S batteries to give ...

  4. Metal-air low temperature ionic liquid cell

    SciTech Connect

    Friesen, Cody A; Buttry, Daniel A

    2014-11-25

    The present application relates to an electrochemical metal-air cell in which a low temperature ionic liquid is used.

  5. New Ionic Liquids with Diverse Properties - Energy Innovation Portal

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Storage Energy Storage Advanced Materials Advanced Materials Find More Like This Return to Search New Ionic Liquids with Diverse Properties Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryHundreds of new ionic liquids can be synthesized using a method invented by ORNL researchers. This innovation makes it possible to produce ionic liquids and ionic compounds with a variety of tunable chemical properties, and provides ion liquids that are nonvolatile

  6. Ionic Liquids for Utilization of Geothermal Energy | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Ionic Liquids for Utilization of Geothermal Energy Ionic Liquids for Utilization of Geothermal Energy DOE Geothermal Program Peer Review 2010 - Presentation. Project objective: to develop ionic liquids for two geothermal energy related applications. specialized_brennecke_ionic_liquids.pdf (316.21 KB) More Documents & Publications Novel Multidimensional Tracers for Geothermal Inter-Well Diagnostics track 1: Low Temp | geothermal 2015 peer review Metal Organic Heat Carriers for

  7. Electrochemical Stability Window of Imidazolium-Based Ionic Liquids as

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Electrolytes for Lithium Batteries - Joint Center for Energy Storage Research June 6, 2016, Research Highlights Electrochemical Stability Window of Imidazolium-Based Ionic Liquids as Electrolytes for Lithium Batteries The electrochemical stability windows and redox limits of the ionic liquids examined in this work. 1-Alkyl-3-methylimidazolium-based ionic liquids with [PF6]- anion ([CnMIM]+[PF6]-) are the most electrochemically stable ionic liquids among the ones studied in this research.

  8. Ionic liquid containing hydroxamate and N-alkyl sulfamate ions

    DOEpatents

    Friesen, Cody A.; Wolfe, Derek; Johnson, Paul Bryan

    2016-03-15

    Embodiments of the invention are related to ionic liquids and more specifically to ionic liquids used in electrochemical metal-air cells in which the ionic liquid includes a cation and an anion selected from hydroxamate and/or N-alkyl sulfamate anions.

  9. Synthesis of electroactive ionic liquids for flow battery applications

    SciTech Connect

    Anderson, Travis Mark; Ingersoll, David; Staiger, Chad; Pratt, Harry

    2015-09-01

    The present disclosure is directed to synthesizing metal ionic liquids with transition metal coordination cations, where such metal ionic liquids can be used in a flow battery. A cation of a metal ionic liquid includes a transition metal and a ligand coordinated to the transition metal.

  10. NOvel Fission Product Separation Based on Room-Temperature Ionic liquids

    SciTech Connect

    Hussey, Charles L.

    2005-11-13

    The effective extraction of Cs+ and Sr2+ into a relatively new and heretofore untested hydrophobic ionic liquid, tri-n-butylmethylammonium bis[(trifluoromethyl)sulfonyl]imide was demonstrated with calix[4]arene-bis(tert-octylbenzo-crown-6) and dicyclohexano-18-crown-6, respectively. The coordinated Cs+ and Sr2+ were subsequently removed from the ionic liquid extraction solvent by an electrochemical reduction process carried out at mercury electrodes. This process is non-destructive, permitting the ionic liquid and ionophores to be recycled. Although the process is based on mercury electrodes, this is a benefit rather than a detriment because the liquid mercury containing the Cs and Sr can be easily transported to another electrochemical cell where the Cs and Sr could be electrochemically recovered from the mercury amalgam and concentrated into a minimum volume of water or some other inexpensive solvent. This should facilitate the development of a suitable waste form for the extracted Cs+ and Sr2+. Thus, the feasibility of the proposed ionic liquid-based extraction cycle for the removal of 137Cs+ and 90Sr2+ from simulated aqueous tank waste was demonstrated.

  11. 1,2,3-triazolium ionic liquids

    DOEpatents

    Luebke, David; Nulwala, Hunaid; Tang, Chau

    2014-12-09

    The present invention relates to compositions of matter that are ionic liquids, the compositions comprising substituted 1,2,3-triazolium cations combined with any anion. Compositions of the invention should be useful in the separation of gases and, perhaps, as catalysts for many reactions.

  12. Solvation and Reaction in Ionic Liquids

    SciTech Connect

    Maroncelli, Mark

    2015-01-15

    The long-range goal of our DOE-sponsored research is to obtain a fundamental understanding of solvation effects on photo-induced charge transfer and related processes. Much of the focus during the past funding period has been on studies of ionic liquids and on characterizing various reactions with which to probe the nature of this interesting new solvent medium.

  13. VOC and HAP recovery using ionic liquids

    SciTech Connect

    Michael R. Milota : Kaichang Li

    2007-05-29

    During the manufacture of wood composites, paper, and to a lesser extent, lumber, large amounts of volatile organic compounds (VOCs) such as terpenes, formaldehyde, and methanol are emitted to air. Some of these compounds are hazardous air pollutants (HAPs). The air pollutants produced in the forest products industry are difficult to manage because the concentrations are very low. Presently, regenerative thermal oxidizers (RTOs and RCOs) are commonly used for the destruction of VOCs and HAPs. RTOs consume large amounts of natural gas to heat air and moisture. The combustion of natural gas generates increased CO2 and NOx, which have negative implications for global warming and air quality. The aforementioned problems are addressed by an absorption system containing a room-temperature ionic liquid (RTIL) as an absorbent. RTILs are salts, but are in liquid states at room temperature. RTILs, an emerging technology, are receiving much attention as replacements for organic solvents in industrial processes with significant cost and environmental benefits. Some of these processes include organic synthesis, extraction, and metal deposition. RTILs would be excellent absorbents for exhausts from wood products facilities because of their unique properties: no measurable vapor pressure, high solubility of wide range of organic compounds, thermal stability to 200°C (almost 400°F), and immisciblity with water. Room temperature ionic liquids were tested as possible absorbents. Four were imidizolium-based and were eight phosphonium-based. The imidizolium-based ionic liquids proved to be unstable at the conditions tested and in the presence of water. The phosphonium-based ionic liquids were stable. Most were good absorbents; however, cleaning the contaminates from the ionic liquids was problematic. This was overcome with a higher temperature (120°C) than originally proposed and a very low pressure (1 kPa. Absorption trials were conducted with tetradecy

  14. Electrolyte Solvation and Ionic Association. V. Acetonitrile-Lithium Bis(fluorosulfonyl)imide (LiFSI) Mixtures

    SciTech Connect

    Han, Sang D.; Borodin, Oleg; Seo, D. M.; Zhou, Zhi B.; Henderson, Wesley A.

    2014-09-30

    Electrolytes with the salt lithium bis(fluorosulfonyl)imide (LiFSI) have been evaluated relative to comparable electrolytes with other lithium salts. Acetonitrile (AN) has been used as a model electrolyte solvent. The information obtained from the thermal phase behavior, solvation/ionic association interactions, quantum chemical (QC) calculations and molecular dynamics (MD) simulations (with an APPLE&P many-body polarizable force field for the LiFSI salt) of the (AN)n-LiFSI mixtures provides detailed insight into the coordination interactions of the FSI- anions and the wide variability noted in the electrolyte transport property (i.e., viscosity and ionic conductivity).

  15. Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors

    SciTech Connect

    Lin, Ye; Fang, Shumin; Su, Dong; Brinkman, Kyle S.; Chen, Fanglin

    2015-04-10

    Mixed ionic–electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce0.8Gd0.2O2₋δ–CoFe2O4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopant and depletion of oxygen vacancies at the Ce0.8Gd0.2O2₋δ–Ce0.8Gd0.2O2₋δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. Lastly, this work illustrates the control of mesoscale level transport properties in mixed ionic–electronic conductor composites through processing induced modifications of the grain boundary defect distribution.

  16. Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors

    DOE PAGES [OSTI]

    Lin, Ye; Fang, Shumin; Su, Dong; Brinkman, Kyle S.; Chen, Fanglin

    2015-04-10

    Mixed ionic–electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce0.8Gd0.2O2₋δ–CoFe2O4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopant and depletion of oxygen vacanciesmore » at the Ce0.8Gd0.2O2₋δ–Ce0.8Gd0.2O2₋δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. Lastly, this work illustrates the control of mesoscale level transport properties in mixed ionic–electronic conductor composites through processing induced modifications of the grain boundary defect distribution.« less

  17. Reaction-Driven Restructuring of Bimetallic Nanoparticle Catalysts

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... of the value of x-ray microscopy in studying real-world catalysts. Core-shell structure of nanoparticles. Dependence of rhodium and palladium atomic fractions of ...

  18. Phytoremediation of Ionic and Methyl Mercury Pollution

    SciTech Connect

    Meagher, Richard B.

    2004-12-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems.

  19. Transportation Research

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    transportation-research TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Transportation Research Current Research Overview The U.S. Department of Transportation (USDOT) has established its only high-performance computing and engineering analysis research facility at Argonne National Laboratory to provide applications support in key areas of applied research and development for the USDOT community. The Transportation Research and

  20. imidazolium-based ionic liquid pretreatment

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Predictive Simulation of Engines Transportation Energy Consortiums Engine Combustion ... and saccharification of switchgrass for biofuel production. (Photo by Roy Kaltschmidt) ...

  1. Switchable Ionic Liquids: An Environmentally-friendly Medium to Synthesize

    Office of Scientific and Technical Information (OSTI)

    Nanoparticulate Green Rust (Journal Article) | SciTech Connect Switchable Ionic Liquids: An Environmentally-friendly Medium to Synthesize Nanoparticulate Green Rust Citation Details In-Document Search Title: Switchable Ionic Liquids: An Environmentally-friendly Medium to Synthesize Nanoparticulate Green Rust Under anoxic conditions, a novel nanoparticulate green rust with carbonate (nano GR) was synthesized by addition of methanol to degassed switchable ionic liquid (SWIL) solution comprised

  2. Ionic Liquids as Lubricants or Additives - Energy Innovation Portal

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Industrial Technologies Industrial Technologies Find More Like This Return to Search Ionic Liquids as Lubricants or Additives Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryNew ionic liquids invented at ORNL show great promise as lubricants for aluminum and steel in combustion engines, bearings, and microelectromechanical systems (MEMS). The ammonium-based ionic liquids are strongly adsorbant on contact surfaces, leading to a more than 30% friction

  3. High Temperature/Low Humidity Polymer Electrolytes Derived from Ionic

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Liquids | Department of Energy High Temperature/Low Humidity Polymer Electrolytes Derived from Ionic Liquids High Temperature/Low Humidity Polymer Electrolytes Derived from Ionic Liquids Presentation on High Temperature/Low Humidity Polymer Electrolytes Derived from Ionic Liquids to the High Temperature Membrane Working Group Meeting held in Arlington, Virginia, May 26,2005. htmwg05_pivovar.pdf (396.97 KB) More Documents & Publications New Polymeric Proton Conductors for Water-free and

  4. Ionic Liquids as Novel Engine Lubricants or Lubricant Additives...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Engine Lubricants or Lubricant Additives Ionic Liquids as Novel Engine Lubricants or Lubricant Additives Bench test results showed that compared with fully-formulated engine oils, ...

  5. Spheroid-Encapsulated Ionic Liquids for Gas Separation - Energy...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Materials Find More Like This Return to Search Spheroid-Encapsulated Ionic Liquids for Gas Separation National Energy Technology Laboratory Contact NETL About This Technology...

  6. Association of a Multifunctional Ionic Block Copolymer in a Selective...

    Office of Scientific and Technical Information (OSTI)

    Results Journal Article: Association of a Multifunctional Ionic Block Copolymer in a Selective Solvent. Citation Details ... Publication Date: 2014-04-01 OSTI Identifier: 1143261 Report ...

  7. Lipid extraction from microalgae using a single ionic liquid

    DOEpatents

    Salvo, Roberto Di; Reich, Alton; Dykes, Jr., H. Waite H.; Teixeira, Rodrigo

    2013-05-28

    A one-step process for the lysis of microalgae cell walls and separation of the cellular lipids for use in biofuel production by utilizing a hydrophilic ionic liquid, 1-butyl-3-methylimidazolium. The hydrophilic ionic liquid both lyses the microalgae cell walls and forms two immiscible layers, one of which consists of the lipid contents of the lysed cells. After mixture of the hydrophilic ionic liquid with a suspension of microalgae cells, gravity causes a hydrophobic lipid phase to move to a top phase where it is removed from the mixture and purified. The hydrophilic ionic liquid is recycled to lyse new microalgae suspensions.

  8. Toward a Materials Genome Approach for Ionic Liquids: Synthesis...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by Ab Initio Property Maps Previous Next List Fangyong Yan, Michael Lartey, Kuldeep Jariwala, Sage Bowser,...

  9. Ionic Liquids as Engine Lubricant Additives, Impact on Emission...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ... baseline - IL: ionic liquid lubricant-additive - ZDDP: ... rod end bushingsbearings), are to be studied. * ... electrons than a neutral metal, thus a softer base); - ...

  10. Highly luminescent and color-tunable salicylate ionic liquids

    SciTech Connect

    Campbell, Paul S.; Yang, Mei; Pitz, Demian; Cybinska, Joanna; Mudring, Anja -Verena

    2014-03-11

    High quantum yields of up to 40.5 % can be achieved in salicylate-bearing ionic liquids. A range of these ionic liquids have been synthesized and their photoluminescent properties studied in detail. The differences noted can be related back to the structure of the ionic liquid cation and possible interionic interactions. It is found that shifts of emission, particularly in the pyridinium-based ionic liquids, can be related to cation–anion pairing interactions. Furthermore, facile and controlled emission color mixing is demonstrated through combining different ILs, with emission colors ranging from blue to yellow.

  11. Highly luminescent and color-tunable salicylate ionic liquids

    DOE PAGES [OSTI]

    Campbell, Paul S.; Yang, Mei; Pitz, Demian; Cybinska, Joanna; Mudring, Anja -Verena

    2014-03-11

    High quantum yields of up to 40.5 % can be achieved in salicylate-bearing ionic liquids. A range of these ionic liquids have been synthesized and their photoluminescent properties studied in detail. The differences noted can be related back to the structure of the ionic liquid cation and possible interionic interactions. It is found that shifts of emission, particularly in the pyridinium-based ionic liquids, can be related to cationanion pairing interactions. Furthermore, facile and controlled emission color mixing is demonstrated through combining different ILs, with emission colors ranging from blue to yellow.

  12. Compositions and methods useful for ionic liquid treatment of biomass

    DOEpatents

    Dibble, Dean C.; Cheng, Aurelia; George, Anthe

    2014-07-29

    The present invention provides for novel compositions and methods for recycling or recovering ionic liquid used in IL pretreated cellulose and/or lignocellulosic biomass (LBM).

  13. Inexpensive, Nonfluorinated Anions for Lithium Salts and Ionic...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Electrolytes Inexpensive, Nonfluorinated Anions for Lithium Salts and Ionic Liquids for Lithium Battery Electrolytes 2010 DOE Vehicle Technologies and Hydrogen Programs Annual...

  14. Cubic Ionic Conductor Ceramics for Alkali Ion Batteries - Energy...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Cubic Ionic Conductor Ceramics for Alkali Ion Batteries Brookhaven National Laboratory ... Better materials for use as electrodes in lithium or sodium ion batteries are still being ...

  15. Characterization of hollow fiber supported Ionic liquid membranes...

    Office of Scientific and Technical Information (OSTI)

    Characterization of hollow fiber supported Ionic liquid membranes using microfocus X-ray computed tomography This content will become publicly available on July 2, 2017 Prev ...

  16. Nanoparticle-Enhanced Ionic Liquids (NEILs) - Energy Innovation...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Find More Like This Return to Search Nanoparticle-Enhanced Ionic Liquids (NEILs) Heat Transfer Fluids with high volumetric heat capacity as well as favorable physical properties to ...

  17. Use of ionic liquids as coordination ligands for organometallic catalysts

    DOEpatents

    Li, Zaiwei; Tang, Yongchun; Cheng; Jihong

    2009-11-10

    Aspects of the present invention relate to compositions and methods for the use of ionic liquids with dissolved metal compounds as catalysts for a variety of chemical reactions. Ionic liquids are salts that generally are liquids at room temperature, and are capable of dissolving a many types of compounds that are relatively insoluble in aqueous or organic solvent systems. Specifically, ionic liquids may dissolve metal compounds to produce homogeneous and heterogeneous organometallic catalysts. One industrially-important chemical reaction that may be catalyzed by metal-containing ionic liquid catalysts is the conversion of methane to methanol.

  18. Using Ionic Liquids to Make Titanium Dioxide Nanotubes - Energy...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Solar Photovoltaic Solar Photovoltaic Hydrogen and Fuel Cell Hydrogen and Fuel Cell Energy Storage Energy Storage Find More Like This Return to Search Using Ionic Liquids to Make ...

  19. Aprotic Heterocyclic Anion Triazolide Ionic Liquids - A New Class of Ionic Liquid Anion Accessed by the Huisgen Cycloaddition Reaction

    SciTech Connect

    Thompson, Robert L.; Damodaran, Krishnan; Luebke, David; Nulwala, Hunaid

    2013-06-01

    The triazole core is a highly versatile heterocyclic ring which can be accessed easily with the Cu(I)-catalyzed Huisgen cycloaddition reaction. Herein we present the preparation of ionic liquids that incorporate a 1,2,3-triazolide anion. These ionic liquids were prepared by a facile procedure utilizing a base-labile pivaloylmethyl group at the 1-position, which can act as precursors to 1H- 4-substituted 1,2,3-triazole. These triazoles were then subsequently converted into ionic liquids after deprotonation using an appropriate ionic liquid cation hydroxide. The densities and thermal decompositions of these ionic liquids were measured. These novel ionic liquids have potential applications in gas separations and in metal-free catalysis.

  20. Transportation and Parking

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation and Parking

  1. Radiation Transport

    SciTech Connect

    Urbatsch, Todd James

    2015-06-15

    We present an overview of radiation transport, covering terminology, blackbody raditation, opacities, Boltzmann transport theory, approximations to the transport equation. Next we introduce several transport methods. We present a section on Caseology, observing transport boundary layers. We briefly broach topics of software development, including verification and validation, and we close with a section on high energy-density experiments that highlight and support radiation transport.

  2. Durable electrooptic devices comprising ionic liquids

    DOEpatents

    Agrawal, Anoop; Cronin, John P.; Tonazzi, Juan C. L.; Warner, Benjamin P.; McCleskey, T. Mark; Burrell, Anthony K.

    2005-11-01

    Electrolyte solutions for electrochromic devices such as rear view mirrors and displays with low leakage currents are prepared using inexpensive, low conductivity conductors. Preferred electrolytes include bifunctional redox dyes and molten salt solvents with enhanced stability toward ultraviolet radiation. The solvents include lithium or quaternary ammonium cations, and perfluorinated sulfonylimide anions selected from trifluoromethylsulfonate (CF3SO3-), bis(trifluoromethylsulfonyl)imide ((CF3SO2)2N-), bis(perfluoroethylsulfonyl)imide ((CF3CF2SO2)2N-) and tris(trifluoromethylsulfonyl)methide ((CF3SO2)3C-). Electroluminescent, electrochromic and photoelectrochromic devices with nanostructured electrodes include ionic liquids with bifunctional redox dyes.

  3. Chamber transport

    SciTech Connect

    OLSON,CRAIG L.

    2000-05-17

    Heavy ion beam transport through the containment chamber plays a crucial role in all heavy ion fusion (HIF) scenarios. Here, several parameters are used to characterize the operating space for HIF beams; transport modes are assessed in relation to evolving target/accelerator requirements; results of recent relevant experiments and simulations of HIF transport are summarized; and relevant instabilities are reviewed. All transport options still exist, including (1) vacuum ballistic transport, (2) neutralized ballistic transport, and (3) channel-like transport. Presently, the European HIF program favors vacuum ballistic transport, while the US HIF program favors neutralized ballistic transport with channel-like transport as an alternate approach. Further transport research is needed to clearly guide selection of the most attractive, integrated HIF system.

  4. Electrolyte Solvation and Ionic Association. V. Acetonitrile...

    Office of Scientific and Technical Information (OSTI)

    mixtures provides detailed insight into the coordination interactions of the FSI- anions and the wide variability noted in the electrolyte transport property (i.e., viscosity ...

  5. Colloid formation study of U, Th, Ra, Pb, Po, Sr, Rb, and Cs in briny (high ionic strength) groundwaters

    SciTech Connect

    Maiti, T.C.; Smith, M.R.; Laul, J.C.

    1989-01-01

    Colloid formation of uranium, thorium, radium, lead, polonium, strontium, rubidium, and cesium in briny (high ionic strength) groundwaters is studied to predict their capability as vectors for transporting radionuclides. This knowledge is essential in developing models to infer the transport of radionuclides from the source region to the surrounding environment. Except polonium, based on the experimental results, colloid formation of uranium, thorium, radium, lead, strontium, rubidium, and cesium is unlikely in brines with compositions similar to the synthetic Palo Duro Basin brine. This observation of no colloid formation is explained by electrokinetic theory and inorganic solution chemistry.

  6. Carbon Dioxide and Ionic Liquid Refrigerants: Compact, Efficient Air Conditioning with Ionic Liquid-Based Refrigerants

    SciTech Connect

    2010-10-01

    BEETIT Project: Notre Dame is developing an air-conditioning system with a new ionic liquid and CO2 as the working fluid. Synthetic refrigerants used in air conditioning and refrigeration systems are potent GHGs and can trap 1,000 times more heat in the atmosphere than CO2 alone—making CO2 an attractive alternative for synthetic refrigerants in cooling systems. However, operating cooling systems with pure CO2 requires prohibitively high pressures and expensive hardware. Notre Dame is creating a new fluid made of CO2 and ionic liquid that enables the use of CO2 at low pressures and requires minimal changes to existing hardware and production lines. This new fluid also produces no harmful emissions and can improve the efficiency of air conditioning systems— enabling new use of CO2 as a refrigerant in cooling systems.

  7. Durable electrooptic devices comprising ionic liquids

    DOEpatents

    Warner, Benjamin P.; McCleskey, T. Mark; Burrell, Anthony K.

    2006-10-10

    Electrolyte solutions for electrochromic devices such as rear view mirrors and displays with low leakage currents are prepared using inexpensive, low conductivity conductors. Preferred electrolytes include bifunctional redox dyes and molten salt solvents with enhanced stability toward ultraviolet radiation. The solvents include lithium or quaternary ammonium cations, and perfluorinated sulfonylimide anions selected from trifluoromethylsulfonate (CF.sub.3SO.sub.3.sup.-), bis(trifluoromethylsulfonyl)imide ((CF.sub.3SO.sub.2).sub.2N.sup.-), bis(perfluoroethylsulfonyl)imide ((CF.sub.3CF.sub.2SO.sub.2).sub.2N.sup.-) and tris(trifluoromethylsulfonyl)methide ((CF.sub.3SO.sub.2).sub.3C.sup.-). Electroluminescent, electrochromic and photoelectrochromic devices with nanostructured electrodes include ionic liquids with bifunctional redox dyes.

  8. Durable Electrooptic Devices Comprising Ionic Liquids

    DOEpatents

    Burrell, Anthony K.; Agrawal, Anoop; Cronin, John P.; Tonazzi, Juan C. L.; Warner, Benjamin P.; McCleskey, T. Mark

    2008-11-11

    Electrolyte solutions for electrochromic devices such as rear view mirrors and displays with low leakage currents are prepared using inexpensive, low conductivity conductors. Preferred electrolytes include bifunctional redox dyes and molten salt solvents with enhanced stability toward ultraviolet radiation. The solvents include lithium or quaternary ammonium cations, and perfluorinated sulfonylimide anions selected from trifluoromethylsulfonate (CF.sub.3SO.sub.3.sup.-), bis(trifluoromethylsulfonyl)imide ((CF.sub.3SO.sub.2).sub.2N.sup.-), bis(perfluoroethylsulfonyl)imide ((CF.sub.3CF.sub.2SO.sub.2).sub.2N.sup.-) and tris(trifluoromethylsulfonyl)methide ((CF.sub.3SO.sub.2).sub.3C.sup.-). Electroluminescent, electrochromic and photoelectrochromic devices with nanostructured electrodes include ionic liquids with bifunctional redox dyes. Some of the electrolyte solutions color to red when devices employing the solutions are powered, leading to red or neutral electrooptic devices.

  9. Durable electrooptic devices comprising ionic liquids

    DOEpatents

    Burrell, Anthony K.; Agrawal, Anoop; Cronin; John P.; Tonazzi, Juan C. L.; Warner, Benjamin P.; McCleskey, T. Mark

    2009-12-15

    Electrolyte solutions for electrochromic devices such as rear view mirrors and displays with low leakage currents are prepared using inexpensive, low conductivity conductors. Preferred electrolytes include bifunctional redox dyes and molten salt solvents with enhanced stability toward ultraviolet radiation. The solvents include lithium or quaternary ammonium cations, and perfluorinated sulfonylimide anions selected from trifluoromethylsulfonate (CF.sub.3SO.sub.3.sup.-), bis(trifluoromethylsulfonyl)imide ((CF.sub.3SO.sub.2).sub.2N.sup.-), bis(perfluoroethylsulfonyl)imide ((CF.sub.3CF.sub.2SO.sub.2).sub.2N.sup.-) and tris(trifluoromethylsulfonyl)methide ((CF.sub.3SO.sub.2).sub.3C.sup.-). Electroluminescent, electrochromic and photoelectrochromic devices with nanostructured electrodes include ionic liquids with bifunctional redox dyes. Some of the electrolyte solutions color to red when devices employing the solutions are powered, leading to red or neutral electrooptic devices.

  10. Saturated Zone Colloid Transport

    SciTech Connect

    H. S. Viswanathan

    2004-10-07

    This scientific analysis provides retardation factors for colloids transporting in the saturated zone (SZ) and the unsaturated zone (UZ). These retardation factors represent the reversible chemical and physical filtration of colloids in the SZ. The value of the colloid retardation factor, R{sub col} is dependent on several factors, such as colloid size, colloid type, and geochemical conditions (e.g., pH, Eh, and ionic strength). These factors are folded into the distributions of R{sub col} that have been developed from field and experimental data collected under varying geochemical conditions with different colloid types and sizes. Attachment rate constants, k{sub att}, and detachment rate constants, k{sub det}, of colloids to the fracture surface have been measured for the fractured volcanics, and separate R{sub col} uncertainty distributions have been developed for attachment and detachment to clastic material and mineral grains in the alluvium. Radionuclides such as plutonium and americium sorb mostly (90 to 99 percent) irreversibly to colloids (BSC 2004 [DIRS 170025], Section 6.3.3.2). The colloid retardation factors developed in this analysis are needed to simulate the transport of radionuclides that are irreversibly sorbed onto colloids; this transport is discussed in the model report ''Site-Scale Saturated Zone Transport'' (BSC 2004 [DIRS 170036]). Although it is not exclusive to any particular radionuclide release scenario, this scientific analysis especially addresses those scenarios pertaining to evidence from waste-degradation experiments, which indicate that plutonium and americium may be irreversibly attached to colloids for the time scales of interest. A section of this report will also discuss the validity of using microspheres as analogs to colloids in some of the lab and field experiments used to obtain the colloid retardation factors. In addition, a small fraction of colloids travels with the groundwater without any significant retardation

  11. Block copolymer with simultaneous electric and ionic conduction for use in lithium ion batteries

    DOEpatents

    2013-10-08

    Redox reactions that occur at the electrodes of batteries require transport of both ions and electrons to the active centers. Reported is the synthesis of a block copolymer that exhibits simultaneous electronic and ionic conduction. A combination of Grignard metathesis polymerization and click reaction was used successively to synthesize the block copolymer containing regioregular poly(3-hexylthiophene) (P3HT) and poly(ethylene oxide) (PEO) segments. The P3HT-PEO/LiTFSI mixture was then used to make a lithium battery cathode with LiFePO.sub.4 as the only other component. All-solid lithium batteries of the cathode described above, a solid electrolyte and a lithium foil as the anode showed capacities within experimental error of the theoretical capacity of the battery. The ability of P3HT-PEO to serve all of the transport and binding functions required in a lithium battery electrode is thus demonstrated.

  12. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    SciTech Connect

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center; Institute of Chemistry, Hebrew University; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; Vaghjiani, Ghanshyam L.; Leone, Stephen R.

    2011-07-19

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?]ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  13. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    SciTech Connect

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; L.Vaghjiani, Ghanshyam; Leone, Stephen R.

    2012-03-16

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1- Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?] ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  14. Composite oxygen ion transport element

    DOEpatents

    Chen, Jack C.; Besecker, Charles J.; Chen, Hancun; Robinson, Earil T.

    2007-06-12

    A composite oxygen ion transport element that has a layered structure formed by a dense layer to transport oxygen ions and electrons and a porous support layer to provide mechanical support. The dense layer can be formed of a mixture of a mixed conductor, an ionic conductor, and a metal. The porous support layer can be fabricated from an oxide dispersion strengthened metal, a metal-reinforced intermetallic alloy, a boron-doped Mo.sub.5Si.sub.3-based intermetallic alloy or combinations thereof. The support layer can be provided with a network of non-interconnected pores and each of said pores communicates between opposite surfaces of said support layer. Such a support layer can be advantageously employed to reduce diffusion resistance in any type of element, including those using a different material makeup than that outlined above.

  15. Beam Transport

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Beam Transport A simplified drawing of the beam transport system from the linac to Target-1 (Lujan Center), Target-2 (Blue Room) and Target-4 is shown below. In usual operation ...

  16. Structural simulations of nanomaterials self-assembled from ionic macrocycles.

    SciTech Connect

    van Swol, Frank B.; Medforth, Craig John

    2010-10-01

    Recent research at Sandia has discovered a new class of organic binary ionic solids with tunable optical, electronic, and photochemical properties. These nanomaterials, consisting of a novel class of organic binary ionic solids, are currently being developed at Sandia for applications in batteries, supercapacitors, and solar energy technologies. They are composed of self-assembled oligomeric arrays of very large anions and large cations, but their crucial internal arrangement is thus far unknown. This report describes (a) the development of a relevant model of nonconvex particles decorated with ions interacting through short-ranged Yukawa potentials, and (b) the results of initial Monte Carlo simulations of the self-assembly binary ionic solids.

  17. Improvement of SOFC electrodes using mixed ionic-electronic conductors

    SciTech Connect

    Matsuzaki, Y.; Hishinuma, M.

    1996-12-31

    Since the electrode reaction of SOFC is limited to the proximity of a triple phase boundary (TPB), the local current density at the electrode and electrolyte interface is larger than mean current density, which causes large ohmic and electrode polarization. This paper describes an application of mixed ionic-electronic conductors to reduce such polarization by means of (1) enhancing ionic conductivity of the electrolyte surface layer by coating a high ionic conductors, and (2) reducing the local current density by increasing the electrochemically active sites.

  18. WIPP Transportation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transuranic Waste Transportation Container Documents Documents related to transuranic waste containers and packages. CBFO Tribal Program Information about WIPP shipments across tribal lands. Transportation Centralized Procurement Program - The Centralized Procurement Program provides a common method to procure standard items used in the packaging and handling of transuranic wasted destined for WIPP. Transuranic Waste Transportation Routes - A map showing transuranic waste generator sites and

  19. Method and apparatus using an active ionic liquid for algae biofuel harvest and extraction

    DOEpatents

    Salvo, Roberto Di; Reich, Alton; Dykes, Jr., H. Waite H.; Teixeira, Rodrigo

    2012-11-06

    The invention relates to use of an active ionic liquid to dissolve algae cell walls. The ionic liquid is used to, in an energy efficient manner, dissolve and/or lyse an algae cell walls, which releases algae constituents used in the creation of energy, fuel, and/or cosmetic components. The ionic liquids include ionic salts having multiple charge centers, low, very low, and ultra low melting point ionic liquids, and combinations of ionic liquids. An algae treatment system is described, which processes wet algae in a lysing reactor, separates out algae constituent products, and optionally recovers the ionic liquid in an energy efficient manner.

  20. The radiation chemistry of ionic liquids: A review

    DOE PAGES [OSTI]

    Mincher, Bruce J.; Wishart, James F.

    2014-07-03

    Ionic liquids have received increasing attention as media for radiochemical separations. Recent literature includes examinations of the efficiencies and mechanisms of the solvent extraction of lanthanides, actinides and fission products into ionic liquid solutions. For radiochemical applications, including as replacement solvents for nuclear fuel reprocessing, a thorough understanding of the radiation chemistry of ionic liquids will be required. Such an understanding can be achieved based on a combination of steady-state radiolysis experiments coupled with post-irradiation product identification and pulse-radiolysis experiments to acquire kinetic information. These techniques allow for the elucidation of radiolytic mechanisms. This contribution reviews the current ionic liquidmore » radiation chemistry literature as it affects separations, with these considerations in mind.« less

  1. Lipid extraction from microalgae using a single ionic liquid...

    Office of Scientific and Technical Information (OSTI)

    A one-step process for the lysis of microalgae cell walls and separation of the cellular lipids for use in biofuel production by utilizing a hydrophilic ionic liquid, ...

  2. The radiation chemistry of ionic liquids: A review

    SciTech Connect

    Mincher, Bruce J.; Wishart, James F.

    2014-07-03

    Ionic liquids have received increasing attention as media for radiochemical separations. Recent literature includes examinations of the efficiencies and mechanisms of the solvent extraction of lanthanides, actinides and fission products into ionic liquid solutions. For radiochemical applications, including as replacement solvents for nuclear fuel reprocessing, a thorough understanding of the radiation chemistry of ionic liquids will be required. Such an understanding can be achieved based on a combination of steady-state radiolysis experiments coupled with post-irradiation product identification and pulse-radiolysis experiments to acquire kinetic information. These techniques allow for the elucidation of radiolytic mechanisms. This contribution reviews the current ionic liquid radiation chemistry literature as it affects separations, with these considerations in mind.

  3. Ionic Liquids as Novel Engine Lubricants or Lubricant Additives

    Office of Energy Efficiency and Renewable Energy (EERE)

    Bench test results showed that compared with fully-formulated engine oils, selected low-viscosity ionic liquids, used as neat lubricants or basestock, produced significantly lower friction and engine wear

  4. Ionic Liquids as Multifunctional Ashless Additives for Engine Lubrication

    Energy.gov [DOE]

    A group of oil-miscible ionic liquids has been developed by an ORNL-GM team as candidate lubricant additives with promising physical/chemical properties and potential multiple functionalities.

  5. Spatially Resolved Ionic Diffusion and Electrochemical Reactions in Solids:

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    | Department of Energy Spatially Resolved Ionic Diffusion and Electrochemical Reactions in Solids: Spatially Resolved Ionic Diffusion and Electrochemical Reactions in Solids: 2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting es153_balke_2012_p.pdf (2.42 MB) More Documents & Publications track 3: enhanced geothermal systems (EGS) | geothermal 2015 peer review 3-D Printed Molds Hold Promise for Enhanced Wind Energy

  6. Membrane contactor assisted extraction/reaction process employing ionic liquids

    DOEpatents

    Lin, Yupo J.; Snyder, Seth W.

    2012-02-07

    The present invention relates to a functionalized membrane contactor extraction/reaction system and method for extracting target species from multi-phase solutions utilizing ionic liquids. One preferred embodiment of the invented method and system relates to an extraction/reaction system wherein the ionic liquid extraction solutions act as both extraction solutions and reaction mediums, and allow simultaneous separation/reactions not possible with prior art technology.

  7. First principles approach to ionicity of fragments (Journal Article) | DOE

    Office of Scientific and Technical Information (OSTI)

    PAGES First principles approach to ionicity of fragments Title: First principles approach to ionicity of fragments Authors: Pilania, Ghanshyam ; Liu, Xiang-Yang ; Valone, Steven M. Publication Date: 2015-02-01 OSTI Identifier: 1249919 Grant/Contract Number: 20120053ER Type: Publisher's Accepted Manuscript Journal Name: Chemical Physics Additional Journal Information: Journal Volume: 448; Journal Issue: C; Related Information: CHORUS Timestamp: 2016-09-13 03:29:30; Journal ID: ISSN 0301-0104

  8. Vehicle Technologies Office Merit Review 2016: Ionic Liquids as Engine

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Lubricant Additives, Impact on Emission Control Catalysts, and Compatibility with Coatings | Department of Energy Ionic Liquids as Engine Lubricant Additives, Impact on Emission Control Catalysts, and Compatibility with Coatings Vehicle Technologies Office Merit Review 2016: Ionic Liquids as Engine Lubricant Additives, Impact on Emission Control Catalysts, and Compatibility with Coatings Presentation given by Oak Ridge National Laboratory (ORNL) at the 2016 DOE Vehicle Technologies Office

  9. Ionic Liquids with Ammonium Cations as Lubricants or Additives

    SciTech Connect

    Qu, Jun; Blau, Peter Julian; Dai, Sheng; Luo, Huimin; Truhan, Jr., John J

    2006-01-01

    Friction and wear are estimated to cost 6% of the US gross national product, or around $700 billion annually. A new class of more effective lubricants could lead to huge energy savings. Limited recent literature has suggested potential for using room-temperature ionic liquids as lubricants, however only a few out of millions (or more) of species have been evaluated. Recent ORNL work discovered a new category of ionic liquids with ammonium cations that have demonstrated promising lubricating properties as net lubricants or lubricant additives, particularly in lubricating difficult-to-lubricate metals like aluminum. More than 30% friction reduction has been observed on ammonium-based ionic liquids compared to conventional hydrocarbon oils. The inherent polarity of ionic liquids is believed to provide strong adhesion to contact surfaces and form a boundary lubricating film leading to friction and wear reductions. Other advantages of ionic liquids include (1) negligible volatility, (2) high thermal stability, (3) non-flammability, and (4) better intrinsic properties that eliminate the necessity of many expensive lubricant additives. With very flexible molecular structures, this new class of lubricants, particularly ammonium-based ionic liquids, can be tailored to fit a big variety of applications including but not limited to bearings, combustion engines, MEMS, and metal forming.

  10. Greening Transportation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Goal 2: Greening Transportation LANL supports and encourages employees to reduce their personal greenhouse gas emissions by offering various commuting and work schedule options. Our goal is to reduce emissions related to employee travel and commuting to and from work by 13 percent. Energy Conservation» Efficient Water Use & Management» High Performance Sustainable Buildings» Greening Transportation» Green Purchasing & Green Technology» Pollution Prevention» Science

  11. Sustainable Transportation

    SciTech Connect

    2012-09-01

    This document highlights DOE's Office of Energy Efficiency and Renewable Energy's advancements in transportation technologies, alternative fuels, and fuel cell technologies.

  12. Phytoremediation of ionic and methyl mercury pollution

    SciTech Connect

    Meagher, R.B.

    1998-06-01

    'The long-term objective of the research is to manipulate single-gene traits into plants, enabling them to process heavy metals and remediate heavy-metal pollution by resistance, sequestration, removal, and management of these contaminants. The authors are focused on mercury pollution as a case study of this plant genetic engineering approach. The working hypothesis behind this proposal was that transgenic plants expressing both the bacterial organo mercury lyase (merB) and the mercuric ion reductase gene (merA) will: (A) remove the mercury from polluted sites and (B) prevent methyl mercury from entering the food chain. The results from the research are so positive that the technology will undoubtedly be applied in the very near future to cleaning large mercury contaminates sites. Many such sites were not remediable previously due to the excessive costs and the negative environmental impact of conventional mechanical-chemical technologies. At the time this grant was awarded 20 months ago, the authors had successfully engineered a small model plant, Arabidopsis thaliana, to use a highly modified bacterial mercuric ion reductase gene, merA9, to detoxify ionic mercury (Hg(II)), reducing it to much less toxic and volatile metallic Hg(0) (Rugh et al., 1996). Seeds from these plants germinate, grow, and set seed at normal growth rates on levels of Hg(II) that are lethal to normal plants. In assays on transgenic seedlings suspended in a solution of Hg(II), 10 ng of Hg(0) was evolved per min per mg wet weight of plant tissue. At that time, the authors had no information on expression of merA in any other plant species, nor had the authors tested merB in any plant. However, the results were so startlingly positive and well received that they clearly presaged a paradigm shift in the field of environmental remediation.'

  13. Systematic computational and experimental investigation of lithium-ion transport mechanisms in polyester-based polymer electrolytes

    SciTech Connect

    Webb, Michael A.; Jung, Yukyung; Pesko, Danielle M.; Savoie, Brett M.; Yamamoto, Umi; Coates, Geoffrey W.; Balsara, Nitash P.; Wang, Zhen -Gang; Miller, III, Thomas F.

    2015-07-10

    Understanding the mechanisms of lithium-ion transport in polymers is crucial for the design of polymer electrolytes. We combine modular synthesis, electrochemical characterization, and molecular simulation to investigate lithium-ion transport in a new family of polyester-based polymers and in poly(ethylene oxide) (PEO). Theoretical predictions of glass-transition temperatures and ionic conductivities in the polymers agree well with experimental measurements. Interestingly, both the experiments and simulations indicate that the ionic conductivity of PEO, relative to the polyesters, is far higher than would be expected from its relative glass-transition temperature. The simulations reveal that diffusion of the lithium cations in the polyesters proceeds via a different mechanism than in PEO, and analysis of the distribution of available cation solvation sites in the various polymers provides a novel and intuitive way to explain the experimentally observed ionic conductivities. This work provides a platform for the evaluation and prediction of ionic conductivities in polymer electrolyte materials.

  14. Physicochemical properties and toxicities of hydrophobicpiperidinium and pyrrolidinium ionic liquids

    SciTech Connect

    Salminen, Justin; Papaiconomou, Nicolas; Kumar, R. Anand; Lee,Jong-Min; Kerr, John; Newman, John; Prausnitz, John M.

    2007-06-25

    Some properties are reported for hydrophobic ionic liquids (IL) containing 1-methyl-1-propyl pyrrolidinium [MPPyrro]{sup +}, 1-methyl-1-butyl pyrrolidinium [MBPyrro]{sup +}, 1-methyl-1-propyl piperidinium [MPPip]{sup +}, 1-methyl-1-butyl piperidinium [MBPip]{sup +}, 1-methyl-1-octylpyrrolidinium [MOPyrro]{sup +} and 1-methyl-1-octylpiperidinium [MOPip]{sup +} cations. These liquids provide new alternatives to pyridinium and imidazolium ILs. High thermal stability of an ionic liquid increases safety in applications like rechargeable lithium-ion batteries and other electrochemical devices. Thermal properties, ionic conductivities, viscosities, and mutual solubilities with water are reported. In addition, toxicities of selected ionic liquids have been measured using a human cancer cell-line. The ILs studied here are sparingly soluble in water but hygroscopic. We show some structure-property relationships that may help to design green solvents for specific applications. While ionic liquids are claimed to be environmentally-benign solvents, as yet few data have been published to support these claims.

  15. Phase-Changing Ionic Liquids: CO2 Capture with Ionic Liquids Involving Phase Change

    SciTech Connect

    2010-07-01

    IMPACCT Project: Notre Dame is developing a new CO2 capture process that uses special ionic liquids (ILs) to remove CO2 from the gas exhaust of coal-fired power plants. ILs are salts that are normally liquid at room temperature, but Notre Dame has discovered a new class of ILs that are solid at room temperature and change to liquid when they bind to CO2. Upon heating, the CO2 is released for storage, and the ILs re-solidify and donate some of the heat generated in the process to facilitate further CO2 release. These new ILs can reduce the energy required to capture CO2 from the exhaust stream of a coal-fired power plant when compared to state-ofthe- art technology.

  16. Characterization and Quantification of Electronic and Ionic Ohmic Overpotential and Heat Generation in a Solid Oxide Fuel Cell Anode

    SciTech Connect

    Grew, Kyle N.; Izzo, John R.; Chiu, Wilson K.S.

    2011-08-16

    The development of a solid oxide fuel cell (SOFC) with a higher efficiency and power density requires an improved understanding and treatment of the irreversibilities. Losses due to the electronic and ionic resistances, which are also known as ohmic losses in the form of Joule heating, can hinder the SOFC's performance. Ohmic losses can result from the bulk material resistivities as well as the complexities introduced by the cell's microstructure. In this work, two-dimensional (2D), electronic and ionic transport models are used to develop a method of quantification of the ohmic losses within the SOFC anode microstructure. This quantification is completed as a function of properties determined from a detailed microstructure characterization, namely, the tortuosity of the electronic and ionic phases, phase volume fraction, contiguity, and mean free path. A direct modeling approach at the level of the pore-scale microstructure is achieved through the use of a representative volume element (RVE) method. The correlation of these ohmic losses with the quantification of the SOFC anode microstructure are examined. It is found with this analysis that the contributions of the SOFC anode microstructure on ohmic losses can be correlated with the volume fraction, contiguity, and mean free path.

  17. Characterization and Quantification of Electronic and Ionic Ohmic Overpotential and Heat Generation in a Solid Oxide Fuel Cell Anode

    SciTech Connect

    Grew, Kyle N.; Izzo, Jr., John R.; Chiu, W. K. S.

    2011-01-01

    The development of a solid oxide fuel cell (SOFC) with a higher efficiency and power density requires an improved understanding and treatment of the irreversibilities. Losses due to the electronic and ionic resistances, which are also known as ohmic losses in the form of Joule heating, can hinder the SOFCs performance. Ohmic losses can result from the bulk material resistivities as well as the complexities introduced by the cells microstructure. In this work, two-dimensional (2D), electronic and ionic transport models are used to develop a method of quantification of the ohmic losses within the SOFC anode microstructure. This quantification is completed as a function of properties determined from a detailed microstructure characterization, namely, the tortuosity of the electronic and ionic phases, phase volume fraction, contiguity, and mean free path. A direct modeling approach at the level of the pore-scale microstructure is achieved through the use of a representative volume element (RVE) method. The correlation of these ohmic losses with the quantification of the SOFC anode microstructure are examined. It is found with this analysis that the contributions of the SOFC anode microstructure on ohmic losses can be correlated with the volume fraction, contiguity, and mean free path.

  18. Electrolyte Solvation and Ionic Association. VI. Acetonitrile-Lithium Salt Mixtures. Highly Associated Salts Revisited

    SciTech Connect

    Borodin, Oleg; Han, Sang D.; Daubert, James S.; Seo, D. M.; Yun, Sung-Hyun; Henderson, Wesley A.

    2015-01-14

    Molecular dynamics (MD) simulations of acetonitrile (AN) mixtures with LiBF4, LiCF3SO3 and LiCF3CO2 provide extensive details about the molecular- and mesoscale-level solution interactions and thus explanations as to why these electrolytes have very different thermal phase behavior and electrochemical/physicochemical properties. The simulation results are in full accord with a previous experimental study of these (AN)n-LiX electrolytes. This computational study reveals how the structure of the anions strongly influences the ionic association tendency of the ions, the manner in which the aggregate solvates assemble in solution and the length of time in which the anions remain coordinated to the Li+ cations in the solvates which result in dramatic variations in the transport properties of the electrolytes.

  19. Methods for separating medical isotopes using ionic liquids

    DOEpatents

    Luo, Huimin; Boll, Rose Ann; Bell, Jason Richard; Dai, Sheng

    2014-10-21

    A method for extracting a radioisotope from an aqueous solution, the method comprising: a) intimately mixing a non-chelating ionic liquid with the aqueous solution to transfer at least a portion of said radioisotope to said non-chelating ionic liquid; and b) separating the non-chelating ionic liquid from the aqueous solution. In preferred embodiments, the method achieves an extraction efficiency of at least 80%, or a separation factor of at least 1.times.10.sup.4 when more than one radioisotope is included in the aqueous solution. In particular embodiments, the method is applied to the separation of medical isotopes pairs, such as Th from Ac (Th-229/Ac-225, Ac-227/Th-227), or Ra from Ac (Ac-225 and Ra-225, Ac-227 and Ra-223), or Ra from Th (Th-227 and Ra-223, Th-229 and Ra-225).

  20. Catalyst containing oxygen transport membrane

    DOEpatents

    Christie, Gervase Maxwell; Wilson, Jamie Robyn; van Hassel, Bart Antonie

    2012-12-04

    A composite oxygen transport membrane having a dense layer, a porous support layer and an intermediate porous layer located between the dense layer and the porous support layer. Both the dense layer and the intermediate porous layer are formed from an ionic conductive material to conduct oxygen ions and an electrically conductive material to conduct electrons. The porous support layer has a high permeability, high porosity, and a high average pore diameter and the intermediate porous layer has a lower permeability and lower pore diameter than the porous support layer. Catalyst particles selected to promote oxidation of a combustible substance are located in the intermediate porous layer and in the porous support adjacent to the intermediate porous layer. The catalyst particles can be formed by wicking a solution of catalyst precursors through the porous support toward the intermediate porous layer.

  1. Transportation Energy

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... Algae Raceway to speed path to biofuels News, Transportation Energy Algae Raceway to speed path to biofuels With the aim of transforming algae into a cost-competitive biofuel, ...

  2. Transportation Fuels

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Fuels DOE would invest $52 million to fund a major fleet transformation at Idaho National Laboratory, along with the installation of nine fuel management systems, purchase of additional flex fuel cars and one E85 ethanol fueling station. Transportation projects, such as the acquisition of highly efficient and alternative-fuel vehicles, are not authorized by ESPC legislation. DOE has twice proportion of medium vehicles and three times as many heavy vehicles as compared to the

  3. Transportation | NREL

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation NREL's transportation infrastructure and programs are designed to significantly reduce petroleum use campus-wide. This infographic shows NREL's FY2015 fleet performance and fleet vehicle history compared to baseline FY 2005 and FY 2014. Petroleum fuel use decreased 28% from 2014 and increased 17% from baseline 2005. Alternative fuel use increased 53% from 2014 and increased 127% from baseline 2005. In baseline 2005, the fleet used 6,521 gasoline gallon equivalent (GGE) of E-85, in

  4. ELECTRICAL REGULATING APPARATUS INCLUDING AN IONIC CURRENT REGULATOR

    DOEpatents

    Brackney, H.W.

    1958-08-12

    An apparatus is described for regulating the operation of an electromagmetic charged particle separator lt consists of an electrical circuit for innproving the regulation of the accelerating voltage of a calutron when the ionic current regulator control means is disconnected. The novel circuit arrangement connects the input of the ionic current regulator to a voltage divider. in association with a second voltage regulatora to furnish an accelerating voltage output which remains constant at a mean value instead of zero as has been the practice.

  5. Composite mixed oxide ionic and electronic conductors for hydrogen separation

    DOEpatents

    Gopalan, Srikanth; Pal, Uday B.; Karthikeyan, Annamalai; Hengdong, Cui

    2009-09-15

    A mixed ionic and electronic conducting membrane includes a two-phase solid state ceramic composite, wherein the first phase comprises an oxygen ion conductor and the second phase comprises an n-type electronically conductive oxide, wherein the electronically conductive oxide is stable at an oxygen partial pressure as low as 10.sup.-20 atm and has an electronic conductivity of at least 1 S/cm. A hydrogen separation system and related methods using the mixed ionic and electronic conducting membrane are described.

  6. NREL: Transportation Research - Transportation News

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation News The following news stories highlight transportation research at NREL. November 4, 2016 NREL Technologies Honored at R&D 100 Awards Ceremony Research teams honored for advances in residential buildings, energy storage testing and power inverters November 1, 2016 NREL Issued Patent for Award-Winning Isothermal Battery Calorimeters The National Renewable Energy Laboratory (NREL) was recently issued a patent for its R&D 100 Award-winning Isothermal Battery Calorimeters

  7. Solvent extraction of rare-earth ions based on functionalized ionic liquids

    SciTech Connect

    Sun, Xiaoqi; Dai, Sheng; Luo, Huimin

    2012-01-01

    We herein report the achievement of enhanced extractabilities and selectivities for separation of rare earth elements based on functionalized ionic liquids. This work highlights the potential of developing a comprehensive ionic liquid-based extraction strategy for rare earth elements using ionic liquids as both extractant and diluent.

  8. High performance batteries with carbon nanomaterials and ionic liquids

    DOEpatents

    Lu, Wen

    2012-08-07

    The present invention is directed to lithium-ion batteries in general and more particularly to lithium-ion batteries based on aligned graphene ribbon anodes, V.sub.2O.sub.5 graphene ribbon composite cathodes, and ionic liquid electrolytes. The lithium-ion batteries have excellent performance metrics of cell voltages, energy densities, and power densities.

  9. Method for synthesis of titanium dioxide nanotubes using ionic liquids

    SciTech Connect

    Qu, Jun; Luo, Huimin; Dai, Sheng

    2013-11-19

    The invention is directed to a method for producing titanium dioxide nanotubes, the method comprising anodizing titanium metal in contact with an electrolytic medium containing an ionic liquid. The invention is also directed to the resulting titanium dioxide nanotubes, as well as devices incorporating the nanotubes, such as photovoltaic devices, hydrogen generation devices, and hydrogen detection devices.

  10. High performance ultracapacitors with carbon nanomaterials and ionic liquids

    DOEpatents

    Lu, Wen; Henry, Kent Douglas

    2012-10-09

    The present invention is directed to the use of carbon nanotubes and/or electrolyte structures in various electrochemical devices, such as ultracapacitors having an ionic liquid electrolyte. The carbon nanotubes are preferably aligned carbon nanotubes. Compared to randomly entangled carbon nanotubes, aligned carbon nanotubes can have better defined pore structures and higher specific surface areas.

  11. Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating

    DOE PAGES [OSTI]

    Yi, Hee Taek; Gao, Bin; Xie, Wei; Cheong, Sang -Wook; Podzorov, Vitaly

    2014-10-13

    Reversible control of charge transport and magnetic properties without degradation is a key for device applications of transition metal oxides. Chemical doping during the growth of transition metal oxides can result in large changes in physical properties, but in most of the cases irreversibility is an inevitable constraint. We report a reversible control of charge transport, metal-insulator crossover and magnetism in field-effect devices based on ionically gated archetypal oxide system - SrRuO3. In these thin-film devices, the metal-insulator crossover temperature and the onset of magnetoresistance can be continuously and reversibly tuned in the range 90–250 K and 70–100 K, respectively,more » by application of a small gate voltage. We infer that a reversible diffusion of oxygen ions in the oxide lattice dominates the response of these materials to the gate electric field. These findings provide critical insights into both the understanding of ionically gated oxides and the development of novel applications.« less

  12. Can Ionic Liquids Be Used As Templating Agents For Controlled Design of Uranium-Containing Nanomaterials?

    SciTech Connect

    Visser, A.; Bridges, N.; Tosten, M.

    2013-04-09

    Nanostructured uranium oxides have been prepared in ionic liquids as templating agents. Using the ionic liquids as reaction media for inorganic nanomaterials takes advantage of the pre-organized structure of the ionic liquids which in turn controls the morphology of the inorganic nanomaterials. Variation of ionic liquid cation structure was investigated to determine the impact on the uranium oxide morphologies. For two ionic liquid cations, increasing the alkyl chain length increases the aspect ratio of the resulting nanostructured oxides. Understanding the resulting metal oxide morphologies could enhance fuel stability and design.

  13. Reduction of Metal Oxide to Metal using Ionic Liquids

    SciTech Connect

    Dr. Ramana Reddy

    2012-04-12

    A novel pathway for the high efficiency production of metal from metal oxide means of electrolysis in ionic liquids at low temperature was investigated. The main emphasis was to eliminate the use of carbon and high temperature application in the reduction of metal oxides to metals. The emphasis of this research was to produce metals such as Zn, and Pb that are normally produced by the application of very high temperatures. The reduction of zinc oxide to zinc and lead oxide to lead were investigated. This study involved three steps in accomplishing the final goal of reduction of metal oxide to metal using ionic liquids: 1) Dissolution of metal oxide in an ionic liquid, 2) Determination of reduction potential using cyclic voltammetry (CV) and 3) Reduction of the dissolved metal oxide. Ionic liquids provide additional advantage by offering a wide potential range for the deposition. In each and every step of the process, more than one process variable has been examined. Experimental results for electrochemical extraction of Zn from ZnO and Pb from PbO using eutectic mixtures of Urea ((NH2)2CO) and Choline chloride (HOC2H4N(CH3)3+Cl-) or (ChCl) in a molar ratio 2:1, varying voltage and temperatures were carried out. Fourier Transform Infra-Red (FTIR) spectroscopy studies of ionic liquids with and without metal oxide additions were conducted. FTIR and induction coupled plasma spectroscopy (ICPS) was used in the characterization of the metal oxide dissolved ionic liquid. Electrochemical experiments were conducted using EG&G potentiostat/galvanostat with three electrode cell systems. Cyclic voltammetry was used in the determination of reduction potentials for the deposition of metals. Chronoamperometric experiments were carried out in the potential range of -0.6V to -1.9V for lead and -1.4V to -1.9V for zinc. The deposits were characterized using XRD and SEM-EDS for phase, morphological and elemental analysis. The results showed that pure metal was deposited on the cathode

  14. Strategies for Using Host-Guest Chemistry in the Extractive Separations of Ionic Guests

    SciTech Connect

    Moyer, Bruce A.; Bonnesen, Peter V.; Custelcean, Radu; Delmau, Laetitia H.; Hay, Benjamin P.

    2005-09-12

    Host-guest chemistry has led to a new paradigm in extractive separations, generating new possibilities for efficient separations of ionic species to meet the challenging needs of industry. This account describes the approach the authors have recently undertaken, recent results, and future directions toward highly selective separations of anions based on host?guest chemistry principles. The material presented deals mainly with the genesis and discovery of new extractive systems, illustrating the potential of particular chemical concepts with examples of practical application. Major questions of interest concern the role of anions in extractive processes and factors underlying the recognition and transport of anions. Theoretical efforts explore the technique of molecular-design itself as embodied in the evolving HostDesigner program. Design calculations are capable of generating ranked candidate multifunctional ion receptors based on hydrogen-bond-donor groups having O?H and N?H donor functionalities. Efforts to synthesize candidate receptors together with studies of molecular structure and the thermodynamics of binding and transport provide a complete picture for understanding structure-function relationships and feedback for further molecular modeling. Extraction data are evaluated in a thermochemical context in which the solvent matrix, including use of anion-solvating lipophilic alcohols, plays a pivotal role. Applications are envisioned for the solution of many types of separations needs, and examples are taken mainly from the authors' own research as applied to treatment of radioactive wastes for disposal.

  15. Vadose Zone Transport Field Study: Status Report

    SciTech Connect

    Gee, Glendon W.; Ward, Anderson L.

    2001-11-30

    Studies were initiated at the Hanford Site to evaluate the process controlling the transport of fluids in the vadose zone and to develop a reliable database upon which vadose-zone transport models can be calibrated. These models are needed to evaluate contaminant migration through the vadose zone to underlying groundwaters at Hanford. A study site that had previously been extensively characterized using geophysical monitoring techniques was selected in the 200 E Area. Techniques used previously included neutron probe for water content, spectral gamma logging for radionuclide tracers, and gamma scattering for wet bulk density. Building on the characterization efforts of the past 20 years, the site was instrumented to facilitate the comparison of nine vadose-zone characterization methods: advanced tensiometers, neutron probe, electrical resistance tomography (ERT), high-resolution resistivity (HRR), electromagnetic induction imaging (EMI), cross-borehole radar (XBR), and cross-borehole seismic (XBS). Soil coring was used to obtain soil samples for analyzing ionic and isotopic tracers.

  16. Ionic liquid-induced synthesis of selenium nanoparticles

    SciTech Connect

    Langi, Bhushan; Shah, Chetan; Singh, Krishankant; Chaskar, Atul; Kumar, Manmohan; Bajaj, Parma N.

    2010-06-15

    A simple wet chemical method has been used to synthesize selenium nanoparticles by the reaction of ionic liquid with sodium selenosulphate, a selenium precursor, in the presence of polyvinyl alcohol stabilizer, in aqueous medium. The method is capable of producing spherical selenium nanoparticles in the size range of 76-150 nm under ambient conditions. This is a first report on the production of nano-selenium assisted by an ionic liquid. The synthesized nanoparticles can be separated easily from the aqueous sol by a high-speed centrifuge machine, and can be re-dispersed in an aqueous medium. The synthesized selenium nanoparticles have been characterized by X-ray diffraction, energy dispersive X-ray analysis, differential scanning calorimetry and transmission electron microscopy techniques.

  17. Mixed ionic and electronic conducting ceramic membranes for hydrocarbon processing

    DOEpatents

    Van Calcar, Pamela (Superior, CO); Mackay, Richard (Lafayette, CO); Sammells, Anthony F. (Boulder, CO)

    2002-01-01

    The invention relates to mixed phase materials for the preparation of catalytic membranes which exhibit ionic and electronic conduction and which exhibit improved mechanical strength compared to single phase ionic and electronic conducting materials. The mixed phase materials are useful for forming gas impermeable membranes either as dense ceramic membranes or as dense thin films coated onto porous substrates. The membranes and materials of this invention are useful in catalytic membrane reactors in a variety of applications including synthesis gas production. One or more crystalline second phases are present in the mixed phase material at a level sufficient to enhance the mechanical strength of the mixture to provide membranes for practical application in CMRs.

  18. Ionic liquids for separation of olefin-paraffin mixtures

    DOEpatents

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2014-07-15

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  19. Ionic liquids for separation of olefin-paraffin mixtures

    DOEpatents

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2013-09-17

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  20. Carbon films produced from ionic liquid carbon precursors

    DOEpatents

    Dai, Sheng; Luo, Huimin; Lee, Je Seung

    2013-11-05

    The invention is directed to a method for producing a film of porous carbon, the method comprising carbonizing a film of an ionic liquid, wherein the ionic liquid has the general formula (X.sup.+a).sub.x(Y.sup.-b).sub.y, wherein the variables a and b are, independently, non-zero integers, and the subscript variables x and y are, independently, non-zero integers, such that ax=by, and at least one of X.sup.+ and Y.sup.- possesses at least one carbon-nitrogen unsaturated bond. The invention is also directed to a composition comprising a porous carbon film possessing a nitrogen content of at least 10 atom %.

  1. An Investigation of the Ionic Conductivity and Species Crossover of

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Lithiated Nafion 117 in Nonaqueous Electrolytes - Joint Center for Energy Storage Research December 9, 2015, Research Highlights An Investigation of the Ionic Conductivity and Species Crossover of Lithiated Nafion 117 in Nonaqueous Electrolytes (a) SAXS of Li-N117 in different solvents. (b) Mass transfer resistance of the active species across the membrane. (c ) The performance of Li-N117 compared to the performance metric. (d) Minimum required selectivity as a function of the maximum energy

  2. Understanding the impact of ionic liquid pretreatment on eucalyptus

    SciTech Connect

    Centikol, Ozgul; Dibble, Dean; Cheng, Gang; Kent, Michael S; Knierim, Manfred; Melnichenko, Yuri B

    2010-01-01

    The development of cost-competitive biofuels necessitates the realization of advanced biomass pretreatment technologies. Ionic liquids provide a basis for one of the most promising pretreatment technologies and are known to allow effective processing of cellulose and some biomass species. Here, we demonstrate that the ionic liquid 1-ethyl-3-methyl imidazolium acetate, [C2mim][OAc], induces structural changes at the molecular level in the cell wall of Eucalyptus globulus. Deacetylation of xylan, acetylation of the lignin units, selective removal of guaiacyl units (increasing the syringyl:guaiacyl ratio) and decreased {beta}-ether content were the most prominent changes observed. Scanning electron microscopy images of the plant cell wall sections reveal extensive swelling during [C2mim][OAc] pretreatment. X-ray diffraction measurements indicate a change in cellulose crystal structure from cellulose I to cellulose II after [C2mim][OAc] pretreatment. Enzymatic saccharification of the pretreated material produced increased sugar yields and improved hydrolysis kinetics after [C2mim][OAc] pretreatment. These results provide new insight into the mechanism of ionic liquid pretreatment and reaffirm that this approach may be promising for the production of cellulosic biofuels from woody biomass.

  3. Ionic switch controls the DNA state in phage λ

    SciTech Connect

    Li, Dong; Liu, Ting; Zuo, Xiaobing; Li, Tao; Qiu, Xiangyun; Evilevitch, Alex

    2015-06-19

    We have recently found that DNA packaged in phage λ undergoes a disordering transition triggered by temperature, which results in increased genome mobility. This solid-to-fluid like DNA transition markedly increases the number of infectious λ particles facilitating infection. However, the structural transition strongly depends on temperature and ionic conditions in the surrounding medium. Using titration microcalorimetry combined with solution X-ray scattering, we mapped both energetic and structural changes associated with transition of the encapsidated λ-DNA. Packaged DNA needs to reach a critical stress level in order for transition to occur. We varied the stress on DNA in the capsid by changing the temperature, packaged DNA length and ionic conditions. We found striking evidence that the intracapsid DNA transition is ‘switched on’ at the ionic conditions mimicking those in vivo and also at the physiologic temperature of infection at 37°C. This ion regulated on-off switch of packaged DNA mobility in turn affects viral replication. The results suggest a remarkable adaptation of phage λ to the environment of its host bacteria in the human gut. The metastable DNA state in the capsid provides a new paradigm for the physical evolution of viruses.

  4. Ionic switch controls the DNA state in phage λ

    DOE PAGES [OSTI]

    Li, Dong; Liu, Ting; Zuo, Xiaobing; Li, Tao; Qiu, Xiangyun; Evilevitch, Alex

    2015-06-19

    We have recently found that DNA packaged in phage λ undergoes a disordering transition triggered by temperature, which results in increased genome mobility. This solid-to-fluid like DNA transition markedly increases the number of infectious λ particles facilitating infection. However, the structural transition strongly depends on temperature and ionic conditions in the surrounding medium. Using titration microcalorimetry combined with solution X-ray scattering, we mapped both energetic and structural changes associated with transition of the encapsidated λ-DNA. Packaged DNA needs to reach a critical stress level in order for transition to occur. We varied the stress on DNA in the capsid bymore » changing the temperature, packaged DNA length and ionic conditions. We found striking evidence that the intracapsid DNA transition is ‘switched on’ at the ionic conditions mimicking those in vivo and also at the physiologic temperature of infection at 37°C. This ion regulated on-off switch of packaged DNA mobility in turn affects viral replication. The results suggest a remarkable adaptation of phage λ to the environment of its host bacteria in the human gut. The metastable DNA state in the capsid provides a new paradigm for the physical evolution of viruses.« less

  5. A roadmap to uranium ionic liquids: Anti-crystal engineering

    DOE PAGES [OSTI]

    Yaprak, Damla; Spielberg, Eike T.; Bäcker, Tobias; Richter, Mark; Mallick, Bert; Klein, Axel; Mudring, Anja -Verena

    2014-04-15

    In the search for uranium-based ionic liquids, tris(N,N-dialkyldithiocarbamato)uranylates have been synthesized as salts of the 1-butyl-3-methylimidazolium (C4mim) cation. As dithiocarbamate ligands binding to the UO22+ unit, tetra-, penta-, hexa-, and heptamethylenedithiocarbamates, N,N-diethyldithiocarbamate, N-methyl-N-propyldithiocarbamate, N-ethyl-N-propyldithiocarbamate, and N-methyl-N-butyldithiocarbamate have been explored. X-ray single-crystal diffraction allowed unambiguous structural characterization of all compounds except N-methyl-N-butyldithiocarbamate, which is obtained as a glassy material only. In addition, powder X-ray diffraction as well as vibrational and UV/Vis spectroscopy, supported by computational methods, were used to characterize the products. Differential scanning calorimetry was employed to investigate the phase-transition behavior depending on the N,N-dialkyldithiocarbamato ligand with the aim tomore » establish structure–property relationships regarding the ionic liquid formation capability. Compounds with the least symmetric N,N-dialkyldithiocarbamato ligand and hence the least symmetric anions, tris(N-methyl-N-propyldithiocarbamato)uranylate, tris(N-ethyl-N-propyldithiocarbamato)uranylate, and tris(N-methyl-N-butyldithiocarbamato)uranylate, lead to the formation of (room-temperature) ionic liquids, which confirms that low-symmetry ions are indeed suitable to suppress crystallization. As a result, these materials combine low melting points, stable complex formation, and hydrophobicity and are therefore excellent candidates for nuclear fuel purification and recovery.« less

  6. Transportation Infrastructure

    Office of Environmental Management (EM)

    09 Archive Transportation Fact of the Week - 2009 Archive #603 Where Does Lithium Come From? December 28, 2009 #602 Freight Statistics by Mode, 2007 Commodity Flow Survey December 21, 2009 #601 World Motor Vehicle Production December 14, 2009 #600 China Produced More Vehicles than the U.S. in 2008 December 7, 2009 #599 Historical Trend for Light Vehicle Sales November 30, 2009 #598 Hybrid Vehicle Sales by Model November 23, 2009 #597 Median Age of Cars and Trucks Rising in 2008 November 16, 2009

  7. The dynamic behavior of thin-film ionic transition metal complex-based light-emitting electrochemical cells

    SciTech Connect

    Meier, Sebastian B. E-mail: wiebke.sarfert@siemens.com; Hartmann, David; Sarfert, Wiebke E-mail: wiebke.sarfert@siemens.com; Winnacker, Albrecht

    2014-09-14

    Light-emitting electrochemical cells (LECs) have received increasing attention during recent years due to their simple architecture, based on solely air-stabile materials, and ease of manufacture in ambient atmosphere, using solution-based technologies. The LEC's active layer offers semiconducting, luminescent as well as ionic functionality resulting in device physical processes fundamentally different as compared with organic light-emitting diodes. During operation, electrical double layers (EDLs) form at the electrode interfaces as a consequence of ion accumulation and electrochemical doping sets in leading to the in situ development of a light-emitting p-i-n junction. In this paper, we comment on the use of impedance spectroscopy in combination with complex nonlinear squares fitting to derive key information about the latter events in thin-film ionic transition metal complex-based light-emitting electrochemical cells based on the model compound bis-2-phenylpyridine 6-phenyl-2,2´-bipyridine iridium(III) hexafluoridophosphate ([Ir(ppy)₂(pbpy)][PF₆]). At operating voltages below the bandgap potential of the ionic complex used, we obtain the dielectric constant of the active layer, the conductivity of mobile ions, the transference numbers of electrons and ions, and the thickness of the EDLs, whereas the transient thickness of the p-i-n junction is determined at voltages above the bandgap potential. Most importantly, we find that charge transport is dominated by the ions when carrier injection from the electrodes is prohibited, that ion movement is limited by the presence of transverse internal interfaces and that the width of the intrinsic region constitutes almost 60% of the total active layer thickness in steady state at a low operating voltage.

  8. Predictive model for ionic liquid extraction solvents for rare earth elements

    SciTech Connect

    Grabda, Mariusz; Oleszek, Sylwia; Panigrahi, Mrutyunjay; Kozak, Dmytro; Shibata, Etsuro; Nakamura, Takashi; Eckert, Franck

    2015-12-31

    The purpose of our study was to select the most effective ionic liquid extraction solvents for dysprosium (III) fluoride using a theoretical approach. Conductor-like Screening Model for Real Solvents (COSMO-RS), based on quantum chemistry and the statistical thermodynamics of predefined DyF{sub 3}-ionic liquid systems, was applied to reach the target. Chemical potentials of the salt were predicted in 4,400 different ionic liquids. On the base of these predictions set of ionic liquids’ ions, manifesting significant decrease of the chemical potentials, were selected. Considering the calculated physicochemical properties (hydrophobicity, viscosity) of the ionic liquids containing these specific ions, the most effective extraction solvents for liquid-liquid extraction of DyF{sub 3} were proposed. The obtained results indicate that the COSMO-RS approach can be applied to quickly screen the affinity of any rare earth element for a large number of ionic liquid systems, before extensive experimental tests.

  9. Synthesis and characterization of new class of ionic liquids containing phenolate anion

    SciTech Connect

    Lethesh, Kallidanthiyil Chellappan; Wilfred, Cecilia Devi; Taha, M. F.; Thanabalan, M.

    2014-10-24

    In these manuscript novel ionic liquids containing a new class of 'phenolate' anions was synthesized and characterized. 1-methylmidazole with different alkyl chains such as butyl, hexyl and octyl groups was used as the cationic part. All the ionic liquids were obtained as liquids at room temperature. The synthesized ionic liquids were characterized using {sup 1}H NMR and {sup 13}C NMR spectroscopy. The thermal stability of the ionic liquids was studied using thermo gravimetric analysis (TGA). The effect of temperature on the density and viscosity of the ionic liquids were studied over a temperature range from 293.15 K to 373.15K at atmospheric pressure. From the experimental values of density, the molecular volume, standard molar entropy and the lattice energy of the ionic liquids were calculated.

  10. Nanoporous ionic organic networks: stablizing and supporting gold nanoparticles for catalysis

    DOE PAGES [OSTI]

    Zhang, Pengfei; Qiao, Zhen-An; Jiang, Xueguang; Veith, Gabriel M.; Dai, Sheng

    2015-01-27

    In this article, nanoporous ionic organic networks (PIONs) with a high ionic density (three cation–anion pairs per unit) have been synthesized by a facile SN2 nucleophilic substitution reaction. Owing to the electrostatic and steric effect, those ionic networks with porous channels can stabilize and support gold (Au) nanoparticles (NPs) in 1–2 nm. We find the Au@PION hybrid materials used as a heterogeneous catalyst are highly active, selective, and stable in the aerobic oxidation of saturated alcohols.

  11. Nonlinear space charge dynamics in mixed ionic-electronic conductors: Resistive switching and ferroelectric-like hysteresis of electromechanical response

    SciTech Connect

    Morozovska, Anna N.; Morozovsky, Nicholas V.; Eliseev, Eugene A.; Varenyk, Olexandr V.; Kim, Yunseok; Strelcov, Evgheni; Tselev, Alexander; Kalinin, Sergei V.

    2014-08-14

    We performed self-consistent modelling of nonlinear electrotransport and electromechanical response of thin films of mixed ionic-electronic conductors (MIEC) allowing for steric effects of mobile charged defects (ions, protons, or vacancies), electron degeneration, and Vegard stresses. We establish correlations between the features of the nonlinear space-charge dynamics, current-voltage, and bending-voltage curves for different types of the film electrodes. A pronounced ferroelectric-like hysteresis of the bending-voltage loops and current maxima on the double hysteresis current-voltage loops appear for the electron-transport electrodes. The double hysteresis loop with pronounced humps indicates a memristor-type resistive switching. The switching occurs due to the strong nonlinear coupling between the electronic and ionic subsystems. A sharp meta-stable maximum of the electron density appears near one open electrode and moves to another one during the periodic change of applied voltage. Our results can explain the nonlinear nature and correlation of electrical and mechanical memory effects in thin MIEC films. The analytical expression proving that the electrically induced bending of MIEC films can be detected by interferometric methods is derived.

  12. Relationship between pore size and reversible and irreversible immobilization of ionic liquid electrolytes in porous carbon under applied electric potential

    DOE PAGES [OSTI]

    Mahurin, Shannon M.; Mamontov, Eugene; Thompson, Matthew W.; Zhang, Pengfei; Turner, C. Heath; Cummings, Peter T.; Dai, Sheng

    2016-10-04

    Transport of electrolytes in nanoporous carbon-based electrodes largely defines the function and performance of energy storage devices. Here, using molecular dynamics simulation and quasielastic neutron scattering, we investigate the microscopic dynamics of a prototypical ionic liquid electrolyte, [emim][Tf2N], under applied electric potential in carbon materials with 6.7 nm and 1.5 nm pores. The simulations demonstrate the formation of dense layers of counter-ions near the charged surfaces, which is reversible when the polarity is reversed. In the experiment, the ions immobilized near the surface manifest themselves in the elastic scattering signal. The experimentally observed ion immobilization near the wall is fullymore » reversible as a function of the applied electric potential in the 6.7 nm, but not in the 1.5 nm nanopores. In the latter case, remarkably, the first application of the electric potential leads to apparently irreversible immobilization of cations or anions, depending on the polarity, near the carbon pore walls. This unexpectedly demonstrates that in carbon electrode materials with the small pores, which are optimal for energy storage applications, the polarity of the electrical potential applied for the first time after the introduction of an ionic liquid electrolyte may define the decoration of the small pore walls with ions for prolonged periods of time and possibly for the lifetime of the electrode.« less

  13. Synthesis of Highly Ordered TiO2 Nanotubes Using Ionic Liquids for Photovoltaics Applications

    SciTech Connect

    2009-04-01

    This factsheet describes a study that deals with a new, green approach of synthesizing highly ordered TiO2 nanotubes using ionic liquids for photovoltaics (PV) applications.

  14. On the cause of conductivity degradation in sodium strontium silicate ionic conductor

    SciTech Connect

    Jee, Y; Zhao, X; Huang, K

    2015-01-01

    Here we present strong experimental evidence that elucidates the fundamental cause for the conductivity degradation observed in Na-SrSiO3 ionic conductor.

  15. Crowding and Anomalous Capacitance at an Electrode–Ionic Liquid...

    Office of Scientific and Technical Information (OSTI)

    Crowding and Anomalous Capacitance at an ElectrodeIonic Liquid Interface Observed Using Operando X-ray Scattering Citation Details In-Document Search Title: Crowding and ...

  16. Synergistic Effects of Mixing Sulfone and Ionic Liquid as Safe Electrolytes

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    for Lithium Sulfur Batteries - Joint Center for Energy Storage Research November 24, 2014, Research Highlights Synergistic Effects of Mixing Sulfone and Ionic Liquid as Safe Electrolytes for Lithium Sulfur Batteries a) Structures of the ionic liquid (IL) and sulfone b) ionic conductivity (σ) vs IL ratio c) CV of C-S cathode in IL/sulfone mixture d) cycling performance Scientific Achievement A strategy of mixing both an ionic liquid and sulfone is applied in Li-S batteries to give

  17. Methods of using ionic liquids having a fluoride anion as solvents

    DOEpatents

    Pagoria, Philip; Maiti, Amitesh; Gash, Alexander; Han, Thomas Yong; Orme, Christine; Fried, Laurence

    2011-12-06

    A method in one embodiment includes contacting a strongly hydrogen bonded organic material with an ionic liquid having a fluoride anion for solubilizing the strongly hydrogen bonded organic material; and maintaining the ionic liquid at a temperature of about 90.degree. C. or less during the contacting. A method in another embodiment includes contacting a strongly hydrogen bonded organic material with an ionic liquid having an acetate or formate anion for solubilizing the strongly hydrogen bonded organic material; and maintaining the ionic liquid at a temperature of less than about 90.degree. C. during the contacting.

  18. Ionic Liquids as Anti-Wear Additives for Next-Generation Low...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ... rod end bushingsbearings), is little known. * ... and metal surface to form an anti-wear tribofilm... Ring Liner ZDDP in oil + - + - + + - - Ring Line r Ionic liquid in ...

  19. Understanding the effect of side groups in ionic liquids on carbon...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort Previous Next List Fangyong Yan, Michael Lartey, Krishnan...

  20. Oxygen Transport Ceramic Membranes

    SciTech Connect

    S. Bandopadhyay; N. Nagabhushana; X.-D Zhou; Q. Cai; J. Yang; W.B. Yelon; W.J. James; H.U. Anderson; Alan Jacobson; C.A. Mims

    2004-10-01

    The present quarterly report describes some of the investigations on the structural properties of dense OTM bars provided by Praxair and studies on newer composition of Ti doped LSF. In this report, Moessbauer spectroscopy was used to study the local environmentals of LSFT with various level of oxygen deficiency. Ionic valence state, magnetic interaction and influence of Ti on superexchange are discussed Stable crack growth studies on Dense OTM bars provided by Praxair were done at elevated temperature, pressure and elevated conditions. Post-fracture X-ray data of the OTM fractured at 1000 C in environment were refined by FullProf code and results indicate a distortion of the parent cubic perovskite to orthorhombic structure with reduced symmetry. TGA-DTA studies on the post-fracture samples also indicated residual effect arising from the thermal and stress history of the samples. An electrochemical cell has been designed and built for measurements of the Seebeck coefficient as a function of temperature and pressure. The initial measurements on La{sub 0.2}Sr{sub 0.8}Fe{sub 0.55}Ti{sub 0.45}O{sub 3-{delta}} are reported. Neutron diffraction measurements of the same composition are in agreement with both the stoichiometry and the kinetic behavior observed in coulometric titration measurements. A series of isotope transients under air separation mode (small gradient) were completed on the membrane of LSCrF-2828 at 900 C. Low pO{sub 2} atmospheres based on with CO-CO{sub 2} mixtures have also been admitted to the delivery side of the LSCrF-2828 membrane to produce the gradients which exist under syngas generation conditions. The COCO{sub 2} mixtures have normal isotopic {sup 18}O abundances. The evolution of {sup 18}O on the delivery side in these experiments after an {sup 18}O pulse on the air side reveals a wealth of information about the oxygen transport processes.

  1. Fabrication of fiber supported ionic liquids and methods of use

    DOEpatents

    Luebke, David R; Wickramanayake, Shan

    2013-02-26

    One or more embodiments relates to the production of a fabricated fiber having an asymmetric polymer network and having an immobilized liquid such as an ionic liquid within the pores of the polymer network. The process produces the fabricated fiber in a dry-wet spinning process using a homogenous dope solution, providing significant advantage over current fabrication methods for liquid-supporting polymers. The fabricated fibers may be effectively utilized for the separation of a chemical species from a mixture based on the selection of the polymer, the liquid, and the solvent utilized in the dope.

  2. Regenerating cellulose from ionic liquids for an accelerated enzymatic hydrolysis

    SciTech Connect

    Zhao, Hua; Jones, Cecil L; Baker, Gary A; Xia, Shuqian; Olubajo, Olarongbe; Person, Vernecia

    2009-01-01

    The efficient conversion of lignocellulosic materials into fuel ethanol has become a research priority in producing affordable and renewable energy. The pretreatment of lignocelluloses is known to be key to the fast enzymatic hydrolysis of cellulose. Recently, certain ionic liquids (ILs)were found capable of dissolving more than 10 wt% cellulose. Preliminary investigations [Dadi, A.P., Varanasi, S., Schall, C.A., 2006. Enhancement of cellulose saccharification kinetics using an ionic liquid pretreatment step. Biotechnol. Bioeng. 95, 904 910; Liu, L., Chen, H., 2006. Enzymatic hydrolysis of cellulose materials treated with ionic liquid [BMIM]Cl. Chin. Sci. Bull. 51, 2432 2436; Dadi, A.P., Schall, C.A., Varanasi, S., 2007. Mitigation of cellulose recalcitrance to enzymatic hydrolysis by ionic liquid pretreatment. Appl. Biochem. Biotechnol. 137 140, 407 421] suggest that celluloses regenerated from IL solutions are subject to faster saccharification than untreated substrates. These encouraging results offer the possibility of using ILs as alternative and nonvolatile solvents for cellulose pretreatment. However, these studies are limited to two chloride-based ILs: (a) 1-butyl-3-methylimidazolium chloride ([BMIM]Cl), which is a corrosive, toxic and extremely hygroscopic solid (m.p. 70 C), and (b) 1-allyl-3-methylimidazolium chloride ([AMIM]Cl), which is viscous and has a reactive side-chain. Therefore, more in-depth research involving other ILs is much needed to explore this promising pretreatment route. For this reason, we studied a number of chloride- and acetate-based ILs for cellulose regeneration, including several ILs newly developed in our laboratory. This will enable us to select inexpensive, efficient and environmentally benign solvents for processing cellulosic biomass. Our data confirm that all regenerated celluloses are less crystalline (58 75% lower) and more accessible to cellulase (>2 times) than untreated substrates. As a result, regenerated Avicel

  3. Tandem dissolution of UO 3 in amide-based acidic ionic liquid and in situ electrodeposition of UO 2 with regeneration of the ionic liquid: a closed cycle

    DOE PAGES [OSTI]

    Wanigasekara, Eranda; Freiderich, John W.; Sun, Xiao-Guang; Meisner, Roberta A.; Luo, Huimin; Delmau, Lætitia H.; Dai, Sheng; Moyer, Bruce A.

    2016-05-19

    A closed cycle is demonstrated for the tandem dissolution and electroreduction of UO3 to UO2 with regeneration of the acidic ionic liquid. The dissolution is achieved by use of the acidic ionic liquid N,N-dimethylacetimidium bis(trifluoromethanesulfonimide) in 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonimide) serving as the diluent. Bulk electrolysis performed at 1.0 V vs. Ag reference yields a dark brown-black uranium deposit (UO2) on the cathode. Anodic oxidation of water in the presence of dimethylacetamide regenerates the acidic ionic liquid. We have demonstrated the individual steps in the cycle together with a sequential dissolution, electroreduction, and regeneration cycle.

  4. The Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

    DOE PAGES [OSTI]

    He, Yadong; Qiao, Rui; Vatamanu, Jenel; Borodin, Oleg; Bedrov, Dmitry; Huang, Jingsong; Sumpter, Bobby G.

    2015-12-07

    There is an emerging concern that using room-temperature ionic liquids (RTILs) together with microporous electrodes may compromise supercapacitors power density in spite of their benefit for enhancing energy density due to possibly slow transport of ions inside narrow pores. Based on molecular simulations of the diffusion of EMIM+ and TFSI ions in slit-shaped micropores (width < 2 nm,) under conditions similar to those during pore charging, we show that, in pores that accommodate only a single layer of ions, the ions diffuse increasingly faster as the pore becomes charged, even faster than Na^+ ions in bulk water. However, this trendmore » can be reversed when the pore becomes highly charged. In pores wide enough to fit more than one layer of ions, the ion diffusion is typically slower than in the bulk, and only changes modestly as the pore becomes charged. Analysis of these results revealed that the fast (or slow) diffusion of ions inside a micropore is correlated most strongly with the dense (or loose) ion packing inside the pore during charging. The molecular details of ions and the precise width of pores modify these trends relatively weakly, except when the pore size is so narrow that the conformation of ions is strongly constrained by the pore walls. Insight from these results should be useful for establishing guidelines for the design of RTILs and porous electrode materials for supercapacitors.« less

  5. The Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

    SciTech Connect

    He, Yadong; Qiao, Rui; Vatamanu, Jenel; Borodin, Oleg; Bedrov, Dmitry; Huang, Jingsong; Sumpter, Bobby G.

    2015-12-07

    There is an emerging concern that using room-temperature ionic liquids (RTILs) together with microporous electrodes may compromise supercapacitors power density in spite of their benefit for enhancing energy density due to possibly slow transport of ions inside narrow pores. Based on molecular simulations of the diffusion of EMIM+ and TFSI ions in slit-shaped micropores (width < 2 nm,) under conditions similar to those during pore charging, we show that, in pores that accommodate only a single layer of ions, the ions diffuse increasingly faster as the pore becomes charged, even faster than Na^+ ions in bulk water. However, this trend can be reversed when the pore becomes highly charged. In pores wide enough to fit more than one layer of ions, the ion diffusion is typically slower than in the bulk, and only changes modestly as the pore becomes charged. Analysis of these results revealed that the fast (or slow) diffusion of ions inside a micropore is correlated most strongly with the dense (or loose) ion packing inside the pore during charging. The molecular details of ions and the precise width of pores modify these trends relatively weakly, except when the pore size is so narrow that the conformation of ions is strongly constrained by the pore walls. Insight from these results should be useful for establishing guidelines for the design of RTILs and porous electrode materials for supercapacitors.

  6. Polarizability effects on the structure and dynamics of ionic liquids

    SciTech Connect

    Cavalcante, Ary de Oliveira; Ribeiro, Mauro C. C.; Skaf, Munir S.

    2014-04-14

    Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup ?} and PF{sub 6}{sup ?}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (?) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.

  7. Development of an Ionic-Liquid Absorption Heat Pump

    SciTech Connect

    Holcomb, Don

    2011-03-29

    Solar Fueled Products (SFP) is developing an innovative ionic-liquid absorption heat pump (ILAHP). The development of an ILAHP is extremely significant, as it could result in annual savings of more than 190 billion kW h of electrical energy and $19 billion. This absorption cooler uses about 75 percent less electricity than conventional cooling and heating units. The ILAHP also has significant environmental sustainability benefits, due to reduced CO2 emissions. Phase I established the feasibility and showed the economic viability of an ILAHP with these key accomplishments: • Used the breakthrough capabilities provided by ionic liquids which overcome the key difficulties of the common absorption coolers. • Showed that the theoretical thermodynamic performance of an ILAHP is similar to existing absorption-cooling systems. • Established that the half-effect absorption cycle reduces the peak generator temperature, improving collector efficiency and reducing collector area. • Component testing demonstrated that the most critical components, absorber and generator, operate well with conventional heat exchangers. • Showed the economic viability of an ILAHP. The significant energy savings, sustainability benefits, and economic viability are compelling reasons to continue the ILAHP development.

  8. Interactions of Ionic Liquids with Uranium and its Bioreduction

    SciTech Connect

    Zhang, C.; Francis, A.

    2012-09-18

    We investigated the influence of ionic liquids (ILs) 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM]{sup +}[PF{sub 6}]{sup -}, N-ethylpyridinium trifluoroacetate [EtPy]{sup +}[CF{sub 3}COO]{sup -} and N-ethylpyridinium tetrafluoroborate [Et-Py]{sup +}[BF{sub 4}]{sup -} on uranium reduction by Clostridium sp. under anaerobic conditions. Potentiometric titration, UV-vis spectrophotometry, LC-MS and EXAFS analyses showed monodentate complexation between uranyl and BF{sub 4}{sup -} PF{sub 6}{sup -}; and bidentate complexation with CF{sub 3}COO{sup -}. Ionic liquids affected the growth of Clostridium sp. as evidenced by decrease in optical density, changes in pH, gas production, and the extent of U(VI) reduction and precipitation of U(IV) from solution. Reduction of U(VI) to U(IV) was observed in the presence of [EtPy][BF{sub 4}] and [BMIM][PF{sub 6}] but not with [EtPy][CF{sub 3}COO].

  9. Transporting particulate material

    DOEpatents

    Aldred, Derek Leslie; Rader, Jeffrey A.; Saunders, Timothy W.

    2011-08-30

    A material transporting system comprises a material transporting apparatus (100) including a material transporting apparatus hopper structure (200, 202), which comprises at least one rotary transporting apparatus; a stationary hub structure (900) constraining and assisting the at least one rotary transporting apparatus; an outlet duct configuration (700) configured to permit material to exit therefrom and comprising at least one diverging portion (702, 702'); an outlet abutment configuration (800) configured to direct material to the outlet duct configuration; an outlet valve assembly from the material transporting system venting the material transporting system; and a moving wall configuration in the material transporting apparatus capable of assisting the material transporting apparatus in transporting material in the material transporting system. Material can be moved from the material transporting apparatus hopper structure to the outlet duct configuration through the at least one rotary transporting apparatus, the outlet abutment configuration, and the outlet valve assembly.

  10. Transportation Systems Modeling

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling TRANSPORTATION SYSTEMS MODELING Overview of TSM Transportation systems modeling research at TRACC uses the TRANSIMS (Transportation Analysis SIMulation System) traffic micro simulation code developed by the U.S. Department of Transportation (USDOT). The TRANSIMS code represents the latest generation of traffic simulation codes developed jointly under multiyear programs by USDOT, the

  11. Metal-air cell comprising an electrolyte with a room temperature ionic liquid and hygroscopic additive

    DOEpatents

    Friesen, Cody A.; Krishnan, Ramkumar; Tang, Toni; Wolfe, Derek

    2014-08-19

    An electrochemical cell comprising an electrolyte comprising water and a hydrophobic ionic liquid comprising positive ions and negative ions. The electrochemical cell also includes an air electrode configured to absorb and reduce oxygen. A hydrophilic or hygroscopic additive modulates the hydrophobicity of the ionic liquid to maintain a concentration of the water in the electrolyte is between 0.001 mol % and 25 mol %.

  12. Mixed ionic-electronic conductor-based radiation detectors and methods of fabrication

    DOEpatents

    Conway, Adam; Beck, Patrick R; Graff, Robert T; Nelson, Art; Nikolic, Rebecca J; Payne, Stephen A; Voss, Lars; Kim, Hadong

    2015-04-07

    A method of fabricating a mixed ionic-electronic conductor (e.g. TlBr)-based radiation detector having halide-treated surfaces and associated methods of fabrication, which controls polarization of the mixed ionic-electronic MIEC material to improve stability and operational lifetime.

  13. Method of purifying a gas stream using 1,2,3-triazolium ionic liquids

    DOEpatents

    Luebke, David; Nulwala, Hunald; Tang, Chau

    2014-12-09

    A method for separating a target gas from a gaseous mixture using 1,2,3-triazolium ionic liquids is presented. Industrial effluent streams may be cleaned by removing carbon dioxide from the stream by contacting the effluent stream with a 1,2,3-triazolium ionic liquid compound.

  14. Correlative Multimodal Probing of Ionically-Mediated Electromechanical...

    Office of Scientific and Technical Information (OSTI)

    transport in NiO is explored on the nanoscale using correlative imaging by first-order ... These studies provide insight into nanoscale mechanisms of electroresistive phenomena in ...

  15. ionic liquids biological-ly derived from lignin and hemicellulose

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Predictive Simulation of Engines Transportation Energy Consortiums Engine Combustion ... Results Pave the Way for Closed-Loop Biofuel Refineries Biofuels, Biomass, ...

  16. Electro-Induced Dewetting and Concomitant Ionic Current Avalanche...

    Office of Scientific and Technical Information (OSTI)

    These phenomena originate from the solvent-free nature of RTILs and are in stark contrast with the transport of conventional electrolytes through nanopores. Amplification is ...

  17. Ion Transport Dynamics in Acid Variable Charge Subsoils

    SciTech Connect

    Qafoku, Nik; Sumner, Malcolm E.; Toma, Mitsuru

    2005-06-06

    This is a mini-review of the research work conducted by the authors with the objective of studying ion transport in variable charge subsoils collected from different areas around the world. An attempt is made in these studies to relate the unique behavior manifested during ionic transport in these subsoils with their mineralogical, physical and chemical properties, which are markedly different from those in soils from temperate regions. The variable charge subsoils have a relatively high salt sorption capacity and anion exchange capacity (AEC) that retards anions downward movement. The AEC correlates closely with the anion retardation coefficients. Ca2+ applied with gypsum in topsoil may be transported to the subsoil and may improve the subsoil chemical properties. These results may help in developing appropriate management strategies under a range of mineralogical, physical, and chemical conditions.

  18. New ionic liquids based on complexation of dipropylsulfide and AlCl3 for electrochodeposition of aluminum

    DOE PAGES [OSTI]

    Fang, Youxing; Jiang, Xueguang; Dai, Sheng; Sun, Xiao-Guang

    2015-01-01

    A new kind of ionic liquid based on complexation of dipropyl sulfide (DPS) and AlCl3 has been prepared. The equivalent concentration of AlCl3 in the ionic liquid is as high as 2.3 M. More importantly, it is highly fluidic and exhibits an ambient ionic conductivity of 1.25 x 10-4 S cm-1. This new ionic liquid can be successfully used as an electrolyte for electrodeposition of aluminum.

  19. Transportation Data Programs:Transportation Energy Data Book...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Transportation Data Programs:Transportation Energy Data Book,Vehicle Technologies Market Report, and VT Fact of the Week Transportation Data Programs:Transportation Energy Data ...

  20. Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

    SciTech Connect

    Wishart, J.F.

    2011-06-12

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs generally have low volatilities and are combustion-resistant, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of primary radiation chemistry, charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of reactions and product distributions. We study these issues by characterization of primary radiolysis products and measurements of their yields and reactivity, quantification of electron solvation dynamics and scavenging of electrons in different states of solvation. From this knowledge we wish to learn how to predict radiolytic mechanisms and control them or mitigate their effects on the properties of materials used in nuclear fuel processing, for example, and to apply IL radiation chemistry to answer questions about general chemical reactivity in ionic liquids that will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that the slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increase the importance of pre-solvated electron reactivity and consequently alter product distributions and subsequent chemistry. This difference from conventional solvents has profound effects on predicting and controlling radiolytic yields

  1. National Transportation Stakeholders Forum

    Office of Environmental Management (EM)

    National Transportation Stakeholders Forum OSRP * NNSA Contractors transporting in commerce, are required law to comply with applicable regulations required law to comply with ...

  2. Transportation sector energy consumption

    Annual Energy Outlook

    Chapter 8 Transportation sector energy consumption Overview In the International Energy Outlook 2016 (IEO2016) Reference case, transportation sector delivered energy consumption ...

  3. Ionic electroactive polymer actuators as active microfluidic mixers

    DOE PAGES [OSTI]

    Meis, Catherine; Montazami, Reza; Hashemi, Nastaran

    2015-11-06

    On-chip sample processing is integral to the continued development of lab-on-a-chip devices for various applications. An active microfluidic mixer prototype is proposed using ionic electroactive polymer actuators (IEAPAs) as artificial cilia. A proof-of-concept experiment was performed in which the actuators were shown to produce localized flow pattern disruptions in the laminar flow regime. Suggestions for further engineering and optimization of a scaled-down, complete device are provided. Furthermore, the device in its current state of development necessitates further engineering, the use of IEAPAs addresses issues currently associated with the use of electromechanical actuators as active microfluidic mixers and may prove tomore » be a useful alternative to other similar materials.« less

  4. Microstructure of room temperature ionic liquids at stepped graphite electrodes

    SciTech Connect

    Feng, Guang; Li, Song; Zhao, Wei; Cummings, Peter T.

    2015-07-14

    Molecular dynamics simulations of room temperature ionic liquid (RTIL) [emim][TFSI] at stepped graphite electrodes were performed to investigate the influence of the thickness of the electrode surface step on the microstructure of interfacial RTILs. A strong correlation was observed between the interfacial RTIL structure and the step thickness in electrode surface as well as the ion size. Specifically, when the step thickness is commensurate with ion size, the interfacial layering of cation/anion is more evident; whereas, the layering tends to be less defined when the step thickness is close to the half of ion size. Furthermore, two-dimensional microstructure of ion layers exhibits different patterns and alignments of counter-ion/co-ion lattice at neutral and charged electrodes. As the cation/anion layering could impose considerable effects on ion diffusion, the detailed information of interfacial RTILs at stepped graphite presented here would help to understand the molecular mechanism of RTIL-electrode interfaces in supercapacitors.

  5. Low velocity ion stopping in binary ionic mixtures

    SciTech Connect

    Tashev, Bekbolat; Baimbetov, Fazylkhan; Deutsch, Claude; Fromy, Patrice

    2008-10-15

    Attention is focused on the low ion velocity stopping mechanisms in multicomponent and dense target plasmas built of quasiclassical electron fluids neutralizing binary ionic mixtures, such as, deuterium-tritium of current fusion interest, proton-heliumlike iron in the solar interior or proton-helium ions considered in planetology, as well as other mixtures of fiducial concern in the heavy ion beam production of warm dense matter at Bragg peak conditions. The target plasma is taken in a multicomponent dielectric formulation a la Fried-Conte. The occurrence of projectile ion velocities (so-called critical) for which target electron slowing down equals that of given target ion components is also considered. The corresponding multiquadrature computations, albeit rather heavy, can be monitored analytical through a very compact code operating a PC cluster. Slowing down results are systematically scanned with respect to target temperature and electron density, as well as ion composition.

  6. Ionic electroactive polymer actuators as active microfluidic mixers

    SciTech Connect

    Meis, Catherine; Montazami, Reza; Hashemi, Nastaran

    2015-11-06

    On-chip sample processing is integral to the continued development of lab-on-a-chip devices for various applications. An active microfluidic mixer prototype is proposed using ionic electroactive polymer actuators (IEAPAs) as artificial cilia. A proof-of-concept experiment was performed in which the actuators were shown to produce localized flow pattern disruptions in the laminar flow regime. Suggestions for further engineering and optimization of a scaled-down, complete device are provided. Furthermore, the device in its current state of development necessitates further engineering, the use of IEAPAs addresses issues currently associated with the use of electromechanical actuators as active microfluidic mixers and may prove to be a useful alternative to other similar materials.

  7. Chirality-selected phase behaviour in ionic polypeptide complexes

    SciTech Connect

    Perry, Sarah L.; Leon, Lorraine; Hoffmann, Kyle Q.; Kade, Matthew J.; Priftis, Dimitrios; Black, Katie A.; Wong, Derek; Klein, Ryan A.; Pierce, III, Charles F.; Margossian, Khatcher O.; Whitmer, Jonathan K.; Qin, Jian; de Pablo, Juan J.; Tirrell, Matthew

    2015-01-14

    In this study, polyelectrolyte complexes present new opportunities for self-assembled soft matter. Factors determining whether the phase of the complex is solid or liquid remain unclear. Ionic polypeptides enable examination of the effects of stereochemistry on complex formation. Here we demonstrate that chirality determines the state of polyelectrolyte complexes, formed from mixing dilute solutions of oppositely charged polypeptides, via a combination of electrostatic and hydrogen-bonding interactions. Fluid complexes occur when at least one of the polypeptides in the mixture is racemic, which disrupts backbone hydrogen-bonding networks. Pairs of purely chiral polypeptides, of any sense, form compact, fibrillar solids with a β-sheet structure. Analogous behaviour occurs in micelles formed from polypeptide block copolymers with polyethylene oxide, where assembly into aggregates with either solid or fluid cores, and eventually into ordered phases at high concentrations, is possible. Chirality is an exploitable tool for manipulating material properties in polyelectrolyte complexation.

  8. Chirality-selected phase behaviour in ionic polypeptide complexes

    DOE PAGES [OSTI]

    Perry, Sarah L.; Leon, Lorraine; Hoffmann, Kyle Q.; Kade, Matthew J.; Priftis, Dimitrios; Black, Katie A.; Wong, Derek; Klein, Ryan A.; Pierce, III, Charles F.; Margossian, Khatcher O.; et al

    2015-01-14

    In this study, polyelectrolyte complexes present new opportunities for self-assembled soft matter. Factors determining whether the phase of the complex is solid or liquid remain unclear. Ionic polypeptides enable examination of the effects of stereochemistry on complex formation. Here we demonstrate that chirality determines the state of polyelectrolyte complexes, formed from mixing dilute solutions of oppositely charged polypeptides, via a combination of electrostatic and hydrogen-bonding interactions. Fluid complexes occur when at least one of the polypeptides in the mixture is racemic, which disrupts backbone hydrogen-bonding networks. Pairs of purely chiral polypeptides, of any sense, form compact, fibrillar solids with amore » β-sheet structure. Analogous behaviour occurs in micelles formed from polypeptide block copolymers with polyethylene oxide, where assembly into aggregates with either solid or fluid cores, and eventually into ordered phases at high concentrations, is possible. Chirality is an exploitable tool for manipulating material properties in polyelectrolyte complexation.« less

  9. Proton Transport in Imidazoles: Unraveling the Role of Supramolecular Structure

    SciTech Connect

    Cosby, James T.; Holt, Adam P.; Griffin, Phillip; Wang, Yangyang; Sangoro, Joshua R.

    2015-09-18

    The impact of supramolecular hydrogen bonded networks on dynamics and charge transport in 2-ethyl-4-methylimidazole (2E4MIm), a model proton-conducting system, is investigated by broadband dielectric spectroscopy, depolarized dynamic light scattering, viscometry, and calorimetry. It is observed that the slow, Debye-like relaxation reflecting the supramolecular structure in neat 2E4MIm is eliminated upon the addition of minute amounts of levulinic acid. This is attributed to the dissociation of imidazole molecules and the breaking down of hydrogen-bonded chains, which leads to a 10-fold enhancement of ionic conductivity.

  10. Transportation Organization and Functions

    Energy.gov [DOE]

    Office of Packaging and Transportation list of organizations and functions, with a list of acronyms.

  11. Nanoporous ionic organic networks: stablizing and supporting gold nanoparticles for catalysis

    SciTech Connect

    Zhang, Pengfei; Qiao, Zhen-An; Jiang, Xueguang; Veith, Gabriel M.; Dai, Sheng

    2015-01-27

    In this article, nanoporous ionic organic networks (PIONs) with a high ionic density (three cation–anion pairs per unit) have been synthesized by a facile SN2 nucleophilic substitution reaction. Owing to the electrostatic and steric effect, those ionic networks with porous channels can stabilize and support gold (Au) nanoparticles (NPs) in 1–2 nm. We find the Au@PION hybrid materials used as a heterogeneous catalyst are highly active, selective, and stable in the aerobic oxidation of saturated alcohols.

  12. NREL: Transportation Research - Transportation and Hydrogen Newsletter

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation and Hydrogen Newsletter The Transportation and Hydrogen Newsletter is a monthly electronic newsletter that provides information on NREL's research, development, and deployment of transportation and hydrogen technologies. Photo of a stack of newspapers September 2016 Issue Fuels Performance Read the latest issue of the newsletter. Subscribe: To receive new issues by email, subscribe to the newsletter. Archives: For past issues, read the newsletter archives. Printable Version

  13. NREL: Transportation Research - Sustainable Transportation Basics

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Basics Compare Vehicle Technologies 3-D illustration of electric car diagramming energy storage, power electronics, and climate control components. The following links to the U.S. Department of Energy's Alternative Fuels Data Center (AFDC) provide an introduction to sustainable transportation. NREL research supports development of electric, hybrid, hydrogen fuel cell, biofuel, natural gas, and propane vehicle technologies. Learn more about vehicles, fuels, and transportation

  14. NREL: Transportation Research - Transportation Deployment Support

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Deployment Support Photo of a car parked in front of a monument. A plug-in electric vehicle charges near the Thomas Jefferson Memorial in Washington, D.C. Photo from Julie Sutor, NREL NREL's transportation deployment team works with vehicle fleets, fuel providers, and other transportation stakeholders to help deploy alternative and renewable fuels, advanced vehicles, fuel economy improvements, and fleet-level efficiencies that reduce emissions and petroleum dependence. In

  15. NREL: Transportation Research - News

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    News NREL provides a number of transportation and hydrogen news sources. Transportation News Find news stories that highlight NREL's transportation research, development, and deployment (RD&D) activities, including work on vehicles and fuels. Hydrogen and Fuel Cells News Find news stories that highlight NREL's hydrogen RD&D activities, including work on fuel cell electric vehicle technologies. Transportation and Hydrogen Newsletter Stay up to date on NREL's RD&D of transportation and

  16. Influence of surface charge on the transport characteristics of nanowire-field effect transistors in liquid environments

    SciTech Connect

    Nozaki, Daijiro E-mail: research@nano.tu-dresden.de; Kunstmann, Jens; Zörgiebel, Felix; Cuniberti, Gianaurelio

    2015-05-18

    One dimensional nanowire field effect transistors (NW-FETs) are a promising platform for sensor applications. The transport characteristics of NW-FETs are strongly modified in liquid environment due to the charging of surface functional groups accompanied with protonation or deprotonation. In order to investigate the influence of surface charges and ionic concentrations on the transport characteristics of Schottky-barrier NW-FETs, we have combined the modified Poisson-Boltzmann theory with the Landauer-Büttiker transport formalism. For a typical device, the model is able to capture the reduction of the sensitivity of NW-FETs in ionic solutions due to the screening from counter ions as well as a local gating from surface functional groups. Our approach allows to model, to investigate, and to optimize realistic Schottky-barrier NW-FET devices in liquid environment.

  17. Process intensification of biodiesel production by using microwave and ionic liquids as catalyst

    SciTech Connect

    Handayani, Prima Astuti; Abdullah; Hadiyanto, Dan

    2015-12-29

    The energy crisis pushes the development and intensification of biodiesel production process. Biodiesel is produced by transesterification of vegetable oils or animal fats and conventionally produced by using acid/base catalyst. However, the conventional method requires longer processing time and obtains lower yield of biodiesel. The microwave has been intensively used to accelerate production process and ionic liquids has been introduced as source of catalyst. This paper discusses the overview of the development of biodiesel production through innovation using microwave irradiation and ionic liquids catalyst to increase the yield of biodiesel. The potential microwave to reduce the processing time will be discussed and compared with other energy power, while the ionic liquids as a new generation of catalysts in the chemical industry will be also discussed for its use. The ionic liquids has potential to enhance the economic and environmental aspects because it has a low corrosion effect, can be recycled, and low waste form.

  18. 81929 - Fission-Product Separation Based on Room - Temperature Ionic Liquids

    SciTech Connect

    Robin D. Rogers

    2004-12-09

    This project has demonstrated that Sr2+ and Cs+ can be selectively extracted from aqueous solutions into ionic liquids using crown ethers and that unprecedented large distribution coefficients can be achieved for these fission products. The volume of secondary wastes can be significantly minimized with this new separation technology. Through the current EMSP funding, the solvent extraction technology based on ionic liquids has been shown to be viable and can potentially provide the most efficient separation of problematic fission products from high level wastes. The key results from the current funding period are the development of highly selective extraction process for cesium ions based on crown ethers and calixarenes, optimization of selectivities of extractants via systematic change of ionic liquids, and investigation of task-specific ionic liquids incorporating both complexant and solvent characteristics.

  19. EERE Success Story—Ionic Liquids Used as Wear Reduction, Wins R&D 100 Award

    Energy.gov [DOE]

    Partnered with Shell Global Solutions, the Oak Ridge National Laboratory (ORNL) has developed ionic liquids (salts in a liquid state at ambient temperatures) that can be used as friction and wear reduction additives for lubricating oils.

  20. Enhanced Gas Absorption in the Ionic Liquid 1-n-Hexyl-3-methylimidazol...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Enhanced Gas Absorption in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide (hmimTfsub 2N) Confined in Silica Slit Pores: A ...

  1. Secure Transportation Management

    SciTech Connect

    Gibbs, P. W.

    2014-10-15

    Secure Transport Management Course (STMC) course provides managers with information related to procedures and equipment used to successfully transport special nuclear material. This workshop outlines these procedures and reinforces the information presented with the aid of numerous practical examples. The course focuses on understanding the regulatory framework for secure transportation of special nuclear materials, identifying the insider and outsider threat(s) to secure transportation, organization of a secure transportation unit, management and supervision of secure transportation units, equipment and facilities required, training and qualification needed.

  2. Elucidating graphene - Ionic Liquid interfacial region: a combined experimental and computational study

    SciTech Connect

    Vijayakumar, M.; Schwenzer, Birgit; Shutthanandan, V.; Hu, Jian Z.; Liu, Jun; Aksay, Ilhan A.

    2014-01-10

    The interfacial region between graphene and an imidazolium based ionic liquid is studied using spectroscopic analysis and computational modelling. This combined approach reveals that the molecular level structure of the interfacial region is significantly influenced by functional group defects on the graphene surface.The combined experimental and computational study reveals that the molecular structure at interfacial region between graphene and imidazolium based ionic liquid is defined by the hydroxyl functional groups on the graphene surface

  3. Polymeric Ionic Networks with High Charge Density: Solid-like Electrolytes in Lithium Metal Batteries

    DOE PAGES [OSTI]

    Zhang, Pengfei; Li, Mingtao; Jiang, Xueguang; Fang, Youxing; Veith, Gabriel M.; Sun, Xiao-Guang; Dai, Sheng

    2015-11-02

    Polymerized ionic networks (PINs) with six ion pairs per repeating unit are synthesized by nucleophilic-substitution-mediated polymerization or radical polymerization of monomers bearing six 1-vinylimidazolium cations. PIN-based solid-like electrolytes show good ionic conductivities (up to 5.32 × 10-3 S cm-1 at 22 °C), wide electrochemical stability windows (up to 5.6 V), and good interfacial compatibility with the electrodes.

  4. Polymeric Ionic Networks with High Charge Density: Solid-like Electrolytes in Lithium Metal Batteries

    SciTech Connect

    Zhang, Pengfei; Li, Mingtao; Jiang, Xueguang; Fang, Youxing; Veith, Gabriel M.; Sun, Xiao-Guang; Dai, Sheng

    2015-11-02

    Polymerized ionic networks (PINs) with six ion pairs per repeating unit are synthesized by nucleophilic-substitution-mediated polymerization or radical polymerization of monomers bearing six 1-vinylimidazolium cations. PIN-based solid-like electrolytes show good ionic conductivities (up to 5.32 × 10-3 S cm-1 at 22 °C), wide electrochemical stability windows (up to 5.6 V), and good interfacial compatibility with the electrodes.

  5. Enhancing ionic conductivity of bulk single-crystal yttria-stabilized zirconia by tailoring dopant distribution

    SciTech Connect

    Lee, E.; Prinz, F. B.; Cai, W.

    2011-02-11

    We present an ab initiobased kinetic Monte Carlo model for ionic conductivity in single-crystal yttria-stabilized zirconia. Ionic interactions are taken into account by combining density functional theory calculations and the cluster expansion method and are found to be essential in reproducing the effective activation energy observed in experiments. The model predicts that the effective energy barrier can be reduced by 0.150.25 eV by arranging the dopant ions into a superlattice.

  6. EERE Success Story-Ionic Liquid Pretreatment Process for Biomass Is

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Successfully Implemented at Larger Scale | Department of Energy Ionic Liquid Pretreatment Process for Biomass Is Successfully Implemented at Larger Scale EERE Success Story-Ionic Liquid Pretreatment Process for Biomass Is Successfully Implemented at Larger Scale June 3, 2014 - 10:50am Addthis DOE-funded researchers have shown that a new, highly effective pretreatment process used in the production of biofuel can be executed at a larger scale than ever achieved before. Before biofuel can be

  7. Vehicle Technologies Office Merit Review 2014: Ionic Liquids as Anti-Wear

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Additives for Next-Generation Low-Viscosity Fuel-Efficient Engine Lubricants | Department of Energy Ionic Liquids as Anti-Wear Additives for Next-Generation Low-Viscosity Fuel-Efficient Engine Lubricants Vehicle Technologies Office Merit Review 2014: Ionic Liquids as Anti-Wear Additives for Next-Generation Low-Viscosity Fuel-Efficient Engine Lubricants Presentation given by Oak Ridge National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit

  8. Ionic Liquids as New Solvents for Improved Separation of Medical Isotopes -

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Energy Innovation Portal Energy Analysis Energy Analysis Advanced Materials Advanced Materials Find More Like This Return to Search Ionic Liquids as New Solvents for Improved Separation of Medical Isotopes Oak Ridge National Laboratory Contact ORNL About This Technology Publications: PDF Document Publication 11-G00234_ID2580 (2).pdf (942 KB) Technology Marketing SummaryA series of ionic liquids (ILs) have recently been applied as new solvents for potentially effective separation of different

  9. Thermostable cellulases, and mutants thereof, capable of hydrolyzing cellulose in ionic liquid

    DOEpatents

    Sapra, Rajat; Datta, Supratim; Chen, Zhiwei; Holmes, Bradley M.; Simmons, Blake A.; Blanch, Harvey W.

    2016-04-26

    The present invention provides for a composition comprising an ionic liquid and a thermostable cellulose, and a method of hydrolyzing a cellulose, comprising: (a) providing a composition comprising a solution comprising an ionic liquid and a cellulose, and (b) introducing a thermostable cellulase to the solution, such that the cellulose is hydrolyzed by the cellulase. The present invention also provides for a Thermatoga maritima thermostable cellulase mutant with increased cellulase activity.

  10. Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores

    SciTech Connect

    Sumpter, Bobby G

    2011-01-01

    Recent experiments have shown that the capacitance of subnanometer pores increases anomalously as the pore width decreases, thereby opening a new avenue for developing supercapacitors with enhanced energy density. However, this behavior is still subject to some controversy since its physical origins are not well understood. Using atomistic simulations, we show that the capacitance of slit-shaped nanopores in contact with room-temperature ionic liquids exhibits a U-shaped scaling behavior in pores with widths from 0.75 to 1.26 nm. The left branch of the capacitance scaling curve directly corresponds to the anomalous capacitance increase and thus reproduces the experimental observations. The right branch of the curve indirectly agrees with experimental findings that so far have received little attention. The overall U-shaped scaling behavior provides insights on the origins of the difficulty in experimentally observing the pore-width-dependent capacitance. We establish a theoretical framework for understanding the capacitance of electrical double layers in nanopores and provide mechanistic details into the origins of the observed scaling behavior. The framework highlights the critical role of 'ion solvation' in controlling pore capacitance and the importance of choosing anion/cation couples carefully for optimal energy storage in a given pore system.

  11. Complex Capacitance Scaling in Ionic Liquids-filled Nanopores

    SciTech Connect

    Qiao, Rui; Huang, Jingsong; Meunier, Vincent; Sumpter, Bobby G; Peng, Wu

    2011-01-01

    Recent experiments have shown that the capacitance of sub-nanometer pores increases anomalously as the pore width decreases, thereby opening a new avenue for developing supercapacitors with enhanced energy density. However, this behavior is still subject to some controversy since its physical origins are not well understood. Using atomistic simulations, we show that the capacitance of slit-shaped nanopores in contact with room-temperature ionic liquids exhibits a U-shaped scaling behavior in pores with width from 0.75 to 1.26 nm. The left branch of the capacitance scaling curve directly corresponds to the anomalous capacitance increase and thus reproduces the experimental observations. The right branch of the curve indirectly agrees with experimental findings that so far have received little attention. The overall U-shaped scaling behavior provides insights on the origins of the difficulty in experimentally observing the pore-width dependent capacitance. We establish a theoretical framework for understanding the capacitance of electrical double layers in nanopores and provide mechanistic details into the origins of the observed scaling behavior. The framework highlights the critical role of ion solvation in controlling pore capacitance and the importance of choosing anion/cation couples carefully for optimal energy storage in a given pore system.

  12. EFFECTS OF GAMMA RADIATION ON ELECTROCHEMICAL PROPERTIES OF IONIC LIQUIDS

    SciTech Connect

    Visser, A; Nicholas Bridges, N; Thad Adams, T; John Mickalonis, J; Mark02 Williamson, M

    2009-04-21

    The electrochemical properties of ionic liquids (ILs) make them attractive for possible replacement of inorganic salts in high temperature molten salt electrochemical processing of nuclear fuel. To be a feasible replacement solvent, ILs need to be stable in moderate and high doses of radiation without adverse chemical and physical effects. Here, we exposed seven different ILs to a 1.2 MGy dose of gamma radiation to investigate their physical and chemical properties as they related to radiological stability. The azolium-based ILs experienced the greatest change in appearance, but these ILs were chemically more stable to gamma radiation than some of the other classes of ILs tested, due to the presence of aromatic electrons in the azolium ring. All the ILs exhibited a decrease in their conductivity and electrochemical window (at least 1.1 V), both of which could affect the utility of ILs in electrochemical processing. The concentration of the irradiation decomposition products was less than 3 mole %, with no impurities detectable using NMR techniques.

  13. Ionic strength independence of charge distributions in solvation of biomolecules

    SciTech Connect

    Virtanen, J. J.; Sosnick, T. R.; Freed, K. F.

    2014-12-14

    Electrostatic forces enormously impact the structure, interactions, and function of biomolecules. We perform all-atom molecular dynamics simulations for 5 proteins and 5 RNAs to determine the dependence on ionic strength of the ion and water charge distributions surrounding the biomolecules, as well as the contributions of ions to the electrostatic free energy of interaction between the biomolecule and the surrounding salt solution (for a total of 40 different biomolecule/solvent combinations). Although water provides the dominant contribution to the charge density distribution and to the electrostatic potential even in 1M NaCl solutions, the contributions of water molecules and of ions to the total electrostatic interaction free energy with the solvated biomolecule are comparable. The electrostatic biomolecule/solvent interaction energies and the total charge distribution exhibit a remarkable insensitivity to salt concentrations over a huge range of salt concentrations (20 mM to 1M NaCl). The electrostatic potentials near the biomolecule's surface obtained from the MD simulations differ markedly, as expected, from the potentials predicted by continuum dielectric models, even though the total electrostatic interaction free energies are within 11% of each other.

  14. Interfacial ionic ‘liquids’: connecting static and dynamic structures

    DOE PAGES [OSTI]

    Uysal, Ahmet; Zhou, Hua; Feng, Guang; Lee, Sang Soo; Li, Song; Cummings, Peter T.; Fulvio, Pasquale F.; Dai, Sheng; McDonough, John K.; Gogotsi, Yury; et al

    2014-12-05

    It is well known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e. with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered structure to temporal variations in applied potential is not well understood. In this study, we used in situ, real-time x-ray reflectivity to study the potential-dependent electric double layer (EDL) structure of an imidazolium-based RTIL on charged epitaxial graphene during potential cycling as a function of temperature. The results suggest that the graphene–RTIL interfacial structure is bistable in which the EDL structure at any intermediate potential can bemore » described by the combination of two extreme-potential structures whose proportions vary depending on the polarity and magnitude of the applied potential. This picture is supported by the EDL structures obtained by fully atomistic molecular dynamics simulations at various static potentials. The potential-driven transition between the two structures is characterized by an increasing width but with an approximately fixed hysteresis magnitude as a function of temperature. Finally, the results are consistent with the coexistence of distinct anion- and cation-adsorbed structures separated by an energy barrier (~0.15 eV).« less

  15. Strongly coupled ionic mixtures and the H/He EOS

    SciTech Connect

    DeWitt, H.E.

    1993-12-02

    This paper summarizes recent work on the strongly coupled OCP and Binary Ionic Mixture equation of state and other thermodynamic quantities in white dwarf interior conditions for both fluid and solid phases with the assumption of a uniform background. Conditions for phase separation of different elements in fluid or solid phases is strongly dependent on deviations from the linear mixing rule which gives the equation of state as an additive function of the OCP equation of state. These deviations turn out to be small (a few parts in 10{sup 5}) and always positive including the case where the fraction of the higher Z component approaches 0. Also the equation of state of strongly coupled light elements (H and He particularly) obtained from simulations with a linear response description of the electrons is given for conditions appropriate to brown dwarf star interiors. Recent Livermore work on a band structure calculation of the enthalpy of H and He mixtures under jovian conditions is discussed. This work leads to a prediction of a high temperature (15,000 K) for miscibility of He in ionized H at 10 Mb.

  16. Inner-shell excitation and ionic fragmentation of molecules

    SciTech Connect

    Hitchcock, A.P.; Tyliszczak, T.; Cavell, R.G.

    1997-04-01

    Inner-shell excitation and associated decay spectroscopies are site specific probes of electronic and geometrical structure and photoionization dynamics. X-ray absorption probes the geometric and electronic structure, while time-of-flight mass spectrometry with multi-coincidence detection provides information on the photofragmentation dynamics of the initially produced inner-shell state. Auger decay of inner-shell excited and ionised states is an efficient source of multiply charged ions. The charge separation and fragmentation of these species, studied by photoelectron-photoion-photoion coincidence (also called charge separation mass spectrometry) gives insights into bonding and electronic structure. In molecules, the dependence of the fragmentation process on the X-ray energy can reveal cases of site and/or state selective fragmentation. At the ALS the authors have examined the soft X-ray spectroscopy and ionic fragmentation of a number of molecules, including carboranes, silylenes, phosphorus halides, SF{sub 6} and CO{sub 2}. Their work is illustrated using results from the carborane and PF{sub 3} studies.

  17. Thermoelectric energy recovery at ionic-liquid/electrode interface

    SciTech Connect

    Bonetti, Marco; Nakamae, Sawako; Huang, Bo Tao; Wiertel-Gasquet, Cécile; Roger, Michel; Salez, Thomas J.

    2015-06-28

    A thermally chargeable capacitor containing a binary solution of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)-imide in acetonitrile is electrically charged by applying a temperature gradient to two ideally polarisable electrodes. The corresponding thermoelectric coefficient is −1.7 mV/K for platinum foil electrodes and −0.3 mV/K for nanoporous carbon electrodes. Stored electrical energy is extracted by discharging the capacitor through a resistor. The measured capacitance of the electrode/ionic-liquid interface is 5 μF for each platinum electrode while it becomes four orders of magnitude larger, ≈36 mF, for a single nanoporous carbon electrode. Reproducibility of the effect through repeated charging-discharging cycles under a steady-state temperature gradient demonstrates the robustness of the electrical charging process at the liquid/electrode interface. The acceleration of the charging by convective flows is also observed. This offers the possibility to convert waste-heat into electric energy without exchanging electrons between ions and electrodes, in contrast to what occurs in most thermogalvanic cells.

  18. Microstructure of room temperature ionic liquids at stepped graphite electrodes

    DOE PAGES [OSTI]

    Feng, Guang; Li, Song; Zhao, Wei; Cummings, Peter T.

    2015-07-14

    Molecular dynamics simulations of room temperature ionic liquid (RTIL) [emim][TFSI] at stepped graphite electrodes were performed to investigate the influence of the thickness of the electrode surface step on the microstructure of interfacial RTILs. A strong correlation was observed between the interfacial RTIL structure and the step thickness in electrode surface as well as the ion size. Specifically, when the step thickness is commensurate with ion size, the interfacial layering of cation/anion is more evident; whereas, the layering tends to be less defined when the step thickness is close to the half of ion size. Furthermore, two-dimensional microstructure of ionmore » layers exhibits different patterns and alignments of counter-ion/co-ion lattice at neutral and charged electrodes. As the cation/anion layering could impose considerable effects on ion diffusion, the detailed information of interfacial RTILs at stepped graphite presented here would help to understand the molecular mechanism of RTIL-electrode interfaces in supercapacitors.« less

  19. Probing the interaction of ionic liquids with graphene using surface-enhanced Raman spectroscopy

    DOE PAGES [OSTI]

    Mahurin, Shannon Mark; Dai, Sheng; Surwade, Sumedh P.; Crespo, Marcos

    2015-12-17

    We report an in situ measurement of the interaction of an imidazolium-based room temperature ionic liquid with both pure silver and a graphene-over-silver electrode under an applied electrochemical potential. At a negative applied potential, overall signal intensity increased indicating enhanced ionic liquid concentration at both silver and graphene electrodes. Vibrational modes associated with the imidazolium ring exhibited greater intensity enhancements and larger peak shifts compared with the anion indicating that the cation adsorbs with the ring and alkyl chain parallel to the electrode surface for both silver and graphene. In contrast to the silver, the surface enhanced Raman spectra ofmore » the ionic liquid near graphene showed shifts in the cation peaks even at no applied potential because of the strong π–π interaction between the ionic liquid and the graphene. Furthermore, the intensity of the graphene peak decreased in the presence of ionic liquid possibly due to the interaction between the ionic liquid and graphene. In conclusion, these results illustrate the effectiveness of surface-enhanced Raman spectroscopy to investigate electrolyte interactions with graphene at the liquid/electrode interface.« less

  20. Probing the interaction of ionic liquids with graphene using surface-enhanced Raman spectroscopy

    SciTech Connect

    Mahurin, Shannon Mark; Dai, Sheng; Surwade, Sumedh P.; Crespo, Marcos

    2015-12-17

    We report an in situ measurement of the interaction of an imidazolium-based room temperature ionic liquid with both pure silver and a graphene-over-silver electrode under an applied electrochemical potential. At a negative applied potential, overall signal intensity increased indicating enhanced ionic liquid concentration at both silver and graphene electrodes. Vibrational modes associated with the imidazolium ring exhibited greater intensity enhancements and larger peak shifts compared with the anion indicating that the cation adsorbs with the ring and alkyl chain parallel to the electrode surface for both silver and graphene. In contrast to the silver, the surface enhanced Raman spectra of the ionic liquid near graphene showed shifts in the cation peaks even at no applied potential because of the strong π–π interaction between the ionic liquid and the graphene. Furthermore, the intensity of the graphene peak decreased in the presence of ionic liquid possibly due to the interaction between the ionic liquid and graphene. In conclusion, these results illustrate the effectiveness of surface-enhanced Raman spectroscopy to investigate electrolyte interactions with graphene at the liquid/electrode interface.

  1. Fundamentals of shale stabilization: Water transport through shales

    SciTech Connect

    Ballard, T.J.; Beare, S.P.; Lawless, T.A. )

    1994-06-01

    One area where water-based muds need improved performance is in shale inhibition. However, before existing mud systems can be improved, the mechanisms by which water invades shales and how present-day inhibitive additives operate must be fully understood. An experimental technique has been developed that uses radioactive tracers to monitor the progress of water and selected dissolved ions through a shale core plug. By varying experimental parameters, such as water composition and applied pressure drop, the dominant mechanisms by which water is transported through shales have been identified. Under conditions of zero applied pressure, diffusion processes control water and ion movement through shales. Concentration gradients are the driving force for mass transfer of ionic species through shales. The authors observed no evidence to indicate that osmosis cause mass transfer of water. Applied pressure caused an increase in water and ion transport rates. Above a threshold pressure, water and dissolved ions travel at the same rate irrespective of the ion concentration.

  2. Transportation Management Workshop: Proceedings

    SciTech Connect

    Not Available

    1993-10-01

    This report is a compilation of discussions presented at the Transportation Management Workshop held in Gaithersburg, Maryland. Topics include waste packaging, personnel training, robotics, transportation routing, certification, containers, and waste classification.

  3. Transportation Energy Futures Study

    Energy.gov [DOE]

    Transportation accounts for 71% of total U.S. petroleum consumption and 33% of total greenhouse gas emissions. The Transportation Energy Futures (TEF) study examines underexplored oil-savings and...

  4. Packaging and Transportation Safety

    Directives, Delegations, and Other Requirements [Office of Management (MA)]

    2010-05-14

    The order establishes safety requirements for the proper packaging and transportation of DOE, including NNSA, offsite shipments and onsite transfers of radioactive and other hazardous materials and for modal transportation. Supersedes DOE O 460.1B.

  5. Packaging and Transportation Safety

    Directives, Delegations, and Other Requirements [Office of Management (MA)]

    1995-09-27

    Establishes safety requirements for the proper packaging and transportation of offsite shipments and onsite transfers of hazardous materials andor modal transport. Cancels DOE 1540.2 and DOE 5480.3

  6. Packaging and Transportation Safety

    Directives, Delegations, and Other Requirements [Office of Management (MA)]

    1995-09-27

    Establishes safety requirements for the proper packaging and transportation of Department of Energy (DOE) offsite shipments and onsite transfers of hazardous materials and for modal transport. Canceled by DOE 460.1A

  7. Packaging and Transportation Safety

    Directives, Delegations, and Other Requirements [Office of Management (MA)]

    1996-10-02

    Establishes safety requirements for the proper packaging and transportation of Department of Energy (DOE) offsite shipments and onsite transfers of hazardous materials and for modal transport. Cancels DOE O 460.1.

  8. NREL: Innovation Impact - Transportation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Menu Home Home Solar Solar Wind Wind Analysis Analysis Bioenergy Bioenergy Buildings Buildings Transportation Transportation Manufacturing Manufacturing Energy Systems Integration Energy Systems Integration Improved transportation technologies are essential for reducing U.S. petroleum dependence. Close The United States consumes roughly 19 million barrels of petroleum per day, but replacing petroleum-based liquid fuels is difficult because of their high energy density, which helps

  9. Water Transport Within the STack: Water Transport Exploratory...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Within the STack: Water Transport Exploratory Studies Water Transport Within the STack: Water Transport Exploratory Studies Part of a 100 million fuel cell award announced by DOE ...

  10. NREL: Transportation Research - Publications

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Publications NREL researchers document their findings in technical reports, conference papers, journal articles, and fact sheets. Visit the following online resources to find publications about sustainable transportation research, development, and deployment. Capabilities Overviews These recent publications highlight some of our capabilities, facilities, and projects: Image of fact sheet cover. Sustainable Transportation This overview fact sheet describes NREL's sustainable transportation

  11. Systematic computational and experimental investigation of lithium-ion transport mechanisms in polyester-based polymer electrolytes

    DOE PAGES [OSTI]

    Webb, Michael A.; Jung, Yukyung; Pesko, Danielle M.; Savoie, Brett M.; Yamamoto, Umi; Coates, Geoffrey W.; Balsara, Nitash P.; Wang, Zhen -Gang; Miller, III, Thomas F.

    2015-07-10

    Understanding the mechanisms of lithium-ion transport in polymers is crucial for the design of polymer electrolytes. We combine modular synthesis, electrochemical characterization, and molecular simulation to investigate lithium-ion transport in a new family of polyester-based polymers and in poly(ethylene oxide) (PEO). Theoretical predictions of glass-transition temperatures and ionic conductivities in the polymers agree well with experimental measurements. Interestingly, both the experiments and simulations indicate that the ionic conductivity of PEO, relative to the polyesters, is far higher than would be expected from its relative glass-transition temperature. The simulations reveal that diffusion of the lithium cations in the polyesters proceeds viamore » a different mechanism than in PEO, and analysis of the distribution of available cation solvation sites in the various polymers provides a novel and intuitive way to explain the experimentally observed ionic conductivities. This work provides a platform for the evaluation and prediction of ionic conductivities in polymer electrolyte materials.« less

  12. NREL: Transportation Research - Transportation and Hydrogen Newsletter...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    This is the May 2015 issue of the Transportation and Hydrogen Newsletter. May 28, 2015 Photo of a car refueling at a hydrogen dispensing station. DOE's H2FIRST project focuses on ...

  13. On the radiation stability of crown ethers in ionic liquids.

    SciTech Connect

    Shkrob, I.; Marin, T.; Dietz, M.

    2011-04-14

    Crown ethers (CEs) are macrocyclic ionophores used for the separation of strontium-90 from acidic nuclear waste streams. Room temperature ionic liquids (ILs) are presently being considered as replacements for traditional molecular solvents employed in such separations. It is desirable that the extraction efficacy obtained with such solvents should not deteriorate in the strong radiation fields generated by decaying radionuclides. This deterioration will depend on the extent of radiation damage to both the IL solvent and the CE solute. While radiation damage to ILs has been extensively studied, the issue of the radiation stability of crown ethers, particularly in an IL matrix, has not been adequately addressed. With this in mind, we have employed electron paramagnetic resonance (EPR) spectroscopy to study the formation of CE-related radicals in the radiolysis of selected CEs in ILs incorporating aromatic (imidazolium and pyridinium) cations. The crown ethers have been found to yield primarily hydrogen loss radicals, H atoms, and the formyl radical. In the low-dose regime, the relative yield of these radicals increases linearly with the mole fraction of the solute, suggesting negligible transfer of the excitation energy from the solvent to the solute; that is, the solvent has a 'radioprotective' effect. The damage to the CE in the loading region of practical interest is relatively low. Under such conditions, the main chemical pathway leading to decreased extraction performance is protonation of the macrocycle. At high radiation doses, sufficient to increase the acidity of the IL solvent significantly, such proton complexes compete with the solvent cations as electron traps. In this regime, the CEs will rapidly degrade as the result of H abstraction from the CE ring by the released H atoms. Thus, the radiation dose to which a CE/IL system is exposed must be maintained at a level sufficiently low to avoid this regime.

  14. Ionic Liquids as Novel Lubricants and /or Lubricant Additives

    SciTech Connect

    Qu, J.; Viola, M. B.

    2013-10-31

    This ORNL-GM CRADA developed ionic liquids (ILs) as novel lubricants or oil additives for engine lubrication. A new group of oil-miscible ILs have been designed and synthesized with high thermal stability, non-corrosiveness, excellent wettability, and most importantly effective anti-scuffing/anti-wear and friction reduction characteristics. Mechanistic analysis attributes the superior lubricating performance of IL additives to their physical and chemical interactions with metallic surfaces. Working with a leading lubricant formulation company, the team has successfully developed a prototype low-viscosity engine oil using a phosphonium-phosphate IL as an anti-wear additive. Tribological bench tests of the IL-additized formulated oil showed 20-33% lower friction in mixed and elastohydrodynamic lubrication and 38-92% lower wear in boundary lubrication when compared with commercial Mobil 1 and Mobil Clean 5W-30 engine oils. High-temperature, high load (HTHL) full-size engine tests confirmed the excellent anti-wear performance for the IL-additized engine oil. Sequence VID engine dynamometer tests demonstrated an improved fuel economy by >2% for this IL-additized engine oil benchmarked against the Mobil 1 5W-30 oil. In addition, accelerated catalyst aging tests suggest that the IL additive may potentially have less adverse impact on three-way catalysts compared to the conventional ZDDP. Follow-on research is needed for further development and optimization of IL chemistry and oil formulation to fully meet ILSAC GF-5 specifications and further enhance the automotive engine efficiency and durability.

  15. Transportation safety training

    SciTech Connect

    Jones, E.

    1990-01-01

    Over the past 25 years extensive federal legislation involving the handling and transport of hazardous materials/waste has been passed that has resulted in numerous overlapping regulations administered and enforced by different federal agencies. The handling and transport of hazardous materials/waste involves a significant number of workers who are subject to a varying degree of risk should an accident occur during handling or transport. Effective transportation training can help workers address these risks and mitigate them, and at the same time enable ORNL to comply with the federal regulations concerning the transport of hazardous materials/waste. This presentation will outline how the Environmental and Health Protection Division's Technical Resources and Training Section at the Oak Ridge National Laboratory, working with transportation and waste disposal personnel, have developed and implemented a comprehensive transportation safety training program to meet the needs of our workers while satisfying appropriate federal regulations. 8 refs., 3 tabs.

  16. New ionic liquids based on complexation of dipropylsulfide and AlCl3 for electrochodeposition of aluminum

    SciTech Connect

    Fang, Youxing; Jiang, Xueguang; Dai, Sheng; Sun, Xiao-Guang

    2015-01-01

    A new kind of ionic liquid based on complexation of dipropyl sulfide (DPS) and AlCl3 has been prepared. The equivalent concentration of AlCl3 in the ionic liquid is as high as 2.3 M. More importantly, it is highly fluidic and exhibits an ambient ionic conductivity of 1.25 x 10-4 S cm-1. This new ionic liquid can be successfully used as an electrolyte for electrodeposition of aluminum.

  17. Oxygen Transport Membranes

    SciTech Connect

    S. Bandopadhyay

    2008-08-30

    The focus of this research was to develop new membrane materials by synthesizing different compounds and determining their defect structures, crystallographic structures and electrical properties. In addition to measuring electrical conductivity, oxygen vacancy concentration was also evaluated using thermogravimetry, Neutron diffraction and Moessbauer Spectroscopy. The reducing conditions (CO{sub 2}/CO/H{sub 2} gas mixtures with steam) as encountered in a reactor environment can be expected to have significant influence on the mechanical properties of the oxides membranes. Various La based materials with and without Ti were selected as candidate membrane materials for OTM. The maximum electrical conductivity of LSF in air as a function of temperature was achieved at < 600 C and depends on the concentration of Sr (acceptor dopant). Oxygen occupancy in LSF was estimated using Neutron diffractometry and Moessbauer Spectroscopy by measuring magnetic moment changes depending on the Fe{sup 3+} and Fe{sup 4+} ratio. After extensive studies of candidate materials, lanthanum ferrites (LSF and LSFT) were selected as the favored materials for the oxygen transport membrane (OTM). LSF is a very good material for an OTM because of its high electronic and oxygen ionic conductivity if long term stability and mechanical strength are improved. LSFT not only exhibits p-type behavior in the high oxygen activity regime, but also has n-type conduction in reducing atmospheres. Higher concentrations of oxygen vacancies in the low oxygen activity regime may improve the performance of LSFT as an OTM. The hole concentration is related to the difference in the acceptor and donor concentration by the relation p = [Sr'{sub La}]-[Ti{sm_bullet}{sub Fe}]. The chemical formulation predicts that the hole concentration is, p = 0.8-0.45 or 0.35. Experimental measurements indicated that p is about {approx} 0.35. The activation energy of conduction is 0.2 eV which implies that LSCF conducts via the

  18. Oxygen Transport Ceramic Membranes

    SciTech Connect

    S. Bandopadhyay; T. Nithyanantham; X.-D Zhou; Y-W. Sin; H.U. Anderson; Alan Jacobson; C.A. Mims

    2005-05-01

    Archimedes method. The bulk density was 5.029 and 5.57 g/cc for LSFT and dual phase membranes, respectively. The microstructure of the dual phase membrane was analyzed using SEM. It is evident from the micrograph that the microstructure is composed of dual phases. The dense circular regions are enclosed by the less dense, continuous phase which accommodates most of the pores. The pores are normally aggregated and found clustered along the dense regions where as the dense regions do not have pores. Upon closer observation of the micrograph it is revealed that the dense region has a clear circular cleavage or crack as their boundary. The circular cleavage clearly encompasses a dense region and which consists of no pore or any flaw that is visible. The size distribution of the dense, discontinuous regions is varying from 5 to 20 {micro}m with a D{sub 50} of 15 {micro}m. The grain size distribution was estimated from the micrographs using image analysis and a unimodal distribution of grains was observed with an average grain size of 1.99 {micro}m. The chemical compositions of the membranes were analyzed using EDS analysis and no other impurities were observed. The XRD analysis was carried out for the membranes and the phase purity was confirmed. The fracture toughness of LSFT membranes at room temperature has to be calculated using the Vickers indentation method. An electrochemical cell has been designed and built for measurements of the ionic conductivity by the use of blocking electrodes. Preliminary measurements on La{sub 0.2}Sr{sub 0.8}Fe{sub 0.55}Ti{sub 0.45}O{sub 3-{delta}} are reported. Modifications to the apparatus to improve the data quality have been completed. Electron microscopy studies of the origin of the slow kinetics on reduction of ferrites have been initiated. A series of isotope transients under air separation mode (small gradient) were completed on the membrane of LSCrF-2828 at 900 C. Low pO{sub 2} atmospheres based on with CO-CO{sub 2} mixtures have also

  19. Colloid and ionic tracer migration within SRS sediments: Final summary

    SciTech Connect

    Strom, R.N.; Seaman, J.C.; Bertsch, P.M.; Miller, W.P.

    1996-04-09

    The generation of a stable colloidal suspension in geologic materials has a number of environmental implications. Mobile colloids may act as vectors for the transport of adsorbed contaminants through soils and within aquifers and can cause serious problems related to well monitoring and formation permeability in an injections well system. Colloid-facilitated transport has been implicated in the migration of contaminants from seepage basins on the Department of Energy`s Savannah River Site (SRS) at a rate greater than was predicted in two- phase transport models. From 1955 to 1988, seepage basins overlying the water-table aquifer received acidic wastes containing high levels of Na+ and nitric acid, as well as trace radionuclides and metals from the nuclear materials processing facilities. Numerical simulations predicted that metal contaminants would not reach the water table, but measurable quantities of these contaminants have been detected in monitoring wells down gradient from the basins. Lack of agreement between predicted and observed contaminant migration in this and other studies has been attributed to both local non equilibrium situation, preferential flow paths within the geologic material, and to transport of the contaminant in association with a mobile solid phase, i.e. dispersed colloids. Additionally, the association of contaminants with a mobile colloidal phase has important ramifications for groundwater sampling on SRS intended to evaluate the potential environmental hazards of a given contaminant. As part of the F- and H-Area reclamation project, the Department of Energy has proposed the capture and treatment of the contaminant plume followed by reinjection of the treated water into the water table and upper confined aquifers. (Abstract Truncated)

  20. Topological defects in electric double layers of ionic liquids at carbon interfaces

    DOE PAGES [OSTI]

    Black, Jennifer M.; Okatan, Mahmut Baris; Feng, Guang; Cummings, Peter T.; Kalinin, Sergei V.; Balke, Nina

    2015-06-07

    The structure and properties of the electrical double layer in ionic liquids is of interest in a wide range of areas including energy storage, catalysis, lubrication, and many more. Theories describing the electrical double layer for ionic liquids have been proposed, however a full molecular level description of the double layer is lacking. To date, studies have been predominantly focused on ion distributions normal to the surface, however the 3D nature of the electrical double layer in ionic liquids requires a full picture of the double layer structure not only normal to the surface, but also in plane. Here wemore » utilize 3D force mapping to probe the in plane structure of an ionic liquid at a graphite interface and report the direct observation of the structure and properties of topological defects. The observation of ion layering at structural defects such as step-edges, reinforced by molecular dynamics simulations, defines the spatial resolution of the method. Observation of defects allows for the establishment of the universality of ionic liquid behavior vs. separation from the carbon surface and to map internal defect structure. In conclusion, these studies offer a universal pathway for probing the internal structure of topological defects in soft condensed matter on the nanometer level in three dimensions.« less

  1. Ionic Liquids as Novel Lubricants and Additives for Diesel Engine Applications

    SciTech Connect

    Qu, Jun; Blau, Peter Julian; Dai, Sheng; Luo, Huimin; Meyer III, Harry M

    2009-01-01

    The lubricating properties of two ionic liquids with the same anion but different cations, one ammonium IL [C8H17]3NH.Tf2N and one imidazolium IL C10mim.Tf2N, were evaluated both in neat form and as oil additives. Experiments were conducted using a standardized reciprocating sliding test using a segment of a Cr-plated diesel engine piston ring against a grey cast iron flat specimen with simulated honing marks as on the engine cylinder liner. The selected ionic liquids were benchmarked against conventional hydrocarbon oils. Substantial friction and wear reductions, up to 55% and 34%, respectively, were achieved for the neat ionic liquids compared to a fully-formulated 15W40 engine oil. Adding 5 vol% ILs into mineral oil has demonstrated significant improvement in the lubricity. One blend even outperformed the 15W40 engine oil with 9% lower friction and 34% less wear. Lubrication regime modeling, worn surface morphology examination, and surface chemical analysis were conducted to help understand the lubricating mechanisms for ionic liquids. Results suggest great potential for using ionic liquids as base lubricants or lubricant additives for diesel engine applications.

  2. Studies of ionic liquids in lithium-ion battery test systems

    SciTech Connect

    Salminen, Justin; Prausnitz, John M.; Newman, John

    2006-06-01

    In this work, thermal and electrochemical properties of neat and mixed ionic liquid - lithium salt systems have been studied. The presence of a lithium salt causes both thermal and phase-behavior changes. Differential scanning calorimeter DSC and thermal gravimetric analysis TGA were used for thermal analysis for several imidazolium bis(trifluoromethylsulfonyl)imide, trifluoromethansulfonate, BF{sub 4}, and PF{sub 6} systems. Conductivities and diffusion coefficient have been measured for some selected systems. Chemical reactions in electrode - ionic liquid electrolyte interfaces were studied by interfacial impedance measurements. Lithium-lithium and lithium-carbon cells were studied at open circuit and a charged system. The ionic liquids studied include various imidazolium systems that are already known to be electrochemically unstable in the presence of lithium metal. In this work the development of interfacial resistance is shown in a Li|BMIMBF{sub 4} + LiBF{sub 4}|Li cell as well as results from some cycling experiments. As the ionic liquid reacts with the lithium electrode the interfacial resistance increases. The results show the magnitude of reactivity due to reduction of the ionic liquid electrolyte that eventually has a detrimental effect on battery performance.

  3. Topological defects in electric double layers of ionic liquids at carbon interfaces

    SciTech Connect

    Black, Jennifer M.; Okatan, Mahmut Baris; Feng, Guang; Cummings, Peter T.; Kalinin, Sergei V.; Balke, Nina

    2015-06-07

    The structure and properties of the electrical double layer in ionic liquids is of interest in a wide range of areas including energy storage, catalysis, lubrication, and many more. Theories describing the electrical double layer for ionic liquids have been proposed, however a full molecular level description of the double layer is lacking. To date, studies have been predominantly focused on ion distributions normal to the surface, however the 3D nature of the electrical double layer in ionic liquids requires a full picture of the double layer structure not only normal to the surface, but also in plane. Here we utilize 3D force mapping to probe the in plane structure of an ionic liquid at a graphite interface and report the direct observation of the structure and properties of topological defects. The observation of ion layering at structural defects such as step-edges, reinforced by molecular dynamics simulations, defines the spatial resolution of the method. Observation of defects allows for the establishment of the universality of ionic liquid behavior vs. separation from the carbon surface and to map internal defect structure. In conclusion, these studies offer a universal pathway for probing the internal structure of topological defects in soft condensed matter on the nanometer level in three dimensions.

  4. EBS Radionuclide Transport Abstraction

    SciTech Connect

    J. Prouty

    2006-07-14

    The purpose of this report is to develop and analyze the engineered barrier system (EBS) radionuclide transport abstraction model, consistent with Level I and Level II model validation, as identified in Technical Work Plan for: Near-Field Environment and Transport: Engineered Barrier System: Radionuclide Transport Abstraction Model Report Integration (BSC 2005 [DIRS 173617]). The EBS radionuclide transport abstraction (or EBS RT Abstraction) is the conceptual model used in the total system performance assessment (TSPA) to determine the rate of radionuclide releases from the EBS to the unsaturated zone (UZ). The EBS RT Abstraction conceptual model consists of two main components: a flow model and a transport model. Both models are developed mathematically from first principles in order to show explicitly what assumptions, simplifications, and approximations are incorporated into the models used in the TSPA. The flow model defines the pathways for water flow in the EBS and specifies how the flow rate is computed in each pathway. Input to this model includes the seepage flux into a drift. The seepage flux is potentially split by the drip shield, with some (or all) of the flux being diverted by the drip shield and some passing through breaches in the drip shield that might result from corrosion or seismic damage. The flux through drip shield breaches is potentially split by the waste package, with some (or all) of the flux being diverted by the waste package and some passing through waste package breaches that might result from corrosion or seismic damage. Neither the drip shield nor the waste package survives an igneous intrusion, so the flux splitting submodel is not used in the igneous scenario class. The flow model is validated in an independent model validation technical review. The drip shield and waste package flux splitting algorithms are developed and validated using experimental data. The transport model considers advective transport and diffusive transport

  5. Intelligent Transportation Systems

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Intelligent Transportation Systems This email address is being protected from spambots. You need JavaScript enabled to view it. - TRACC Director Background The development and deployment of Intelligent Transportation Systems (ITS) in the United States is an effort of national importance. Through the use of advanced computing, control, and communication technologies, ITS promises to greatly improve the efficiency and safety of the existing surface transportation system and reduce the

  6. Fermilab | Visit Fermilab | Transportation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Transportation to and from Chicago O'Hare Airport or Midway Airport is available by limousine, taxi or car rental. Transportation to and from the Geneva local commuter Metra train station on the Union Pacific West line is available by taxi or Pace Call-n-Ride. Car rental All of the usual rental companies (such as Hertz, Avis, Budget and National) are located at the airports. Limousine service Reservations for limousine service should be made in advance when possible. West Suburban

  7. Transportation | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Technologies Available for Licensing Energy Storage Industrial & Manufacturing Processes Instrumentation & Devices Licensable Software Life Sciences Materials Transportation Fact Sheets and Forms Transportation Influencing the future of vehicles, fuels Argonne's transportation research efforts bring together scientists and engineers from many disciplines to find cost-effective solutions to critical issues like foreign-oil dependency and greenhouse gas emissions. As one of the U.S.

  8. WASTE PACKAGE TRANSPORTER DESIGN

    SciTech Connect

    D.C. Weddle; R. Novotny; J. Cron

    1998-09-23

    The purpose of this Design Analysis is to develop preliminary design of the waste package transporter used for waste package (WP) transport and related functions in the subsurface repository. This analysis refines the conceptual design that was started in Phase I of the Viability Assessment. This analysis supports the development of a reliable emplacement concept and a retrieval concept for license application design. The scope of this analysis includes the following activities: (1) Assess features of the transporter design and evaluate alternative design solutions for mechanical components. (2) Develop mechanical equipment details for the transporter. (3) Prepare a preliminary structural evaluation for the transporter. (4) Identify and recommend the equipment design for waste package transport and related functions. (5) Investigate transport equipment interface tolerances. This analysis supports the development of the waste package transporter for the transport, emplacement, and retrieval of packaged radioactive waste forms in the subsurface repository. Once the waste containers are closed and accepted, the packaged radioactive waste forms are termed waste packages (WP). This terminology was finalized as this analysis neared completion; therefore, the term disposal container is used in several references (i.e., the System Description Document (SDD)) (Ref. 5.6). In this analysis and the applicable reference documents, the term ''disposal container'' is synonymous with ''waste package''.

  9. Transportation Energy Consortiums

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... Physics of hydrogen in materials - Our research develops an understanding of reactions on surfaces, hydrogen transport in materials, embrittlement mechanisms, deformation and ...

  10. Transportation Storage Interface

    Office of Environmental Management (EM)

    transportation * High priority technical information needs have * Overall low level of knowledge * Overall high regulatory impact 12 Extended Spent Fuel Storage and...

  11. Sustainable Transportation (Fact Sheet)

    SciTech Connect

    Not Available

    2012-09-01

    This document highlights DOE's Office of Energy Efficiency and Renewable Energy's advancements in transportation technologies, alternative fuels, and fuel cell technologies.

  12. UZ Colloid Transport Model

    SciTech Connect

    M. McGraw

    2000-04-13

    The UZ Colloid Transport model development plan states that the objective of this Analysis/Model Report (AMR) is to document the development of a model for simulating unsaturated colloid transport. This objective includes the following: (1) use of a process level model to evaluate the potential mechanisms for colloid transport at Yucca Mountain; (2) Provide ranges of parameters for significant colloid transport processes to Performance Assessment (PA) for the unsaturated zone (UZ); (3) Provide a basis for development of an abstracted model for use in PA calculations.

  13. NREL: Transportation Research - Capabilities

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    A Vision for Sustainable Transportation Line graph illustrating three pathways (biofuel, hydrogen, and electric vehicle) to reduce energy use and greenhouse gas emissions. Electric ...

  14. Transportation Energy Futures Snapshot

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    modes, manage the demand for transportation, and shift the fuel mix to more sustainable sources necessary to reach these significant outcomes. Coordinating a...

  15. integrated-transportation-models

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    support a wider application of integrated transportation models, especially focusing on travel demand and network ... irrevocable worldwide license in said article to ...

  16. Radioactive Material Transportation Practices

    Directives, Delegations, and Other Requirements [Office of Management (MA)]

    2002-09-23

    Establishes standard transportation practices for Departmental programs to use in planning and executing offsite shipments of radioactive materials including radioactive waste. Does not cancel other directives.

  17. Transportation Energy Futures Snapshot

    Energy.gov [DOE]

    This snapshot is a summary of the EERE reports that provide a detailed analysis of opportunities and challenges along the path to a more sustainable transportation energy future.

  18. Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations

    SciTech Connect

    Mester, Zoltan; Panagiotopoulos, Athanassios Z.

    2015-01-28

    The mean ionic activity coefficients of aqueous NaCl solutions of varying concentrations at 298.15 K and 1 bar have been obtained from molecular dynamics simulations by gradually turning on the interactions of an ion pair inserted into the solution. Several common non-polarizable water and ion models have been used in the simulations. Gibbs-Duhem equation calculations of the thermodynamic activity of water are used to confirm the thermodynamic consistency of the mean ionic activity coefficients. While the majority of model combinations predict the correct trends in mean ionic activity coefficients, they overestimate their values at high salt concentrations. The solubility predictions also suffer from inaccuracies, with all models underpredicting the experimental values, some by large factors. These results point to the need for further ion and water model development.

  19. Electrochemical Polishing Applications and EIS of a Novel Choline Chloride-Based Ionic Liquid

    SciTech Connect

    Wixtrom, Alex I.; Buhler, Jessica E.; Reece, Charles E.; Abdel-Fattah, Tarek M.

    2013-06-01

    Minimal surface roughness is a critical feature for high-field superconducting radio frequency (SRF) cavities used to engineer particle accelerators. Current methods for polishing Niobium cavities typically utilize solutions containing a mixture of concentrated sulfuric and hydrofluoric acid. Polishing processes such as these are effective, yet there are many hazards and costs associated with the use (and safe disposal) of the concentrated acid solutions. An alternative method for electrochemical polishing of the cavities was explored using a novel ionic liquid solution containing choline chloride. Potentiostatic electrochemical impedance spectroscopy (EIS) was used to analyze the ionic polishing solution. Final surface roughness of the Nb was found to be comparable to that of the acid-polishing method, as assessed by atomic force microscopy (AFM). This indicates that ionic liquid-based electrochemical polishing of Nb is a viable replacement for acid-based methods for preparation of SRF cavities.

  20. Fluid Interface Reactions, Structures and Transport

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... journal papers and holds over 14 U.S. patents. His current research ... ionic liquids, advanced materials and their ... member of the international steering ...

  1. Catalytic Conversion of Biomass to Fuels and Chemicals Using Ionic Liquids

    SciTech Connect

    Liu, Wei; Zheng, Richard; Brown, Heather; Li, Joanne; Holladay, John; Cooper, Alan; Rao, Tony

    2012-04-13

    This project provides critical innovations and fundamental understandings that enable development of an economically-viable process for catalytic conversion of biomass (sugar) to 5-hydroxymethylfurfural (HMF). A low-cost ionic liquid (Cyphos 106) is discovered for fast conversion of fructose into HMF under moderate reaction conditions without any catalyst. HMF yield from fructose is almost 100% on the carbon molar basis. Adsorbent materials and adsorption process are invented and demonstrated for separation of 99% pure HMF product and recovery of the ionic liquid from the reaction mixtures. The adsorbent material appears very stable in repeated adsorption/regeneration cycles. Novel membrane-coated adsorbent particles are made and demonstrated to achieve excellent adsorption separation performances at low pressure drops. This is very important for a practical adsorption process because ionic liquids are known of high viscosity. Nearly 100% conversion (or dissolution) of cellulose in the catalytic ionic liquid into small molecules was observed. It is promising to produce HMF, sugars and other fermentable species directly from cellulose feedstock. However, several gaps were identified and could not be resolved in this project. Reaction and separation tests at larger scales are needed to minimize impacts of incidental errors on the mass balance and to show 99.9% ionic liquid recovery. The cellulose reaction tests were troubled with poor reproducibility. Further studies on cellulose conversion in ionic liquids under better controlled conditions are necessary to delineate reaction products, dissolution kinetics, effects of mass and heat transfer in the reactor on conversion, and separation of final reaction mixtures.

  2. Gelled Ionic Liquid-Based Membranes: Achieving a 10,000 GPU Permeance for Post-Combustion Carbon Capture with Gelled Ionic Liquid-Based Membranes

    SciTech Connect

    2011-02-02

    IMPACCT Project: Alongside Los Alamos National Laboratory and the Electric Power Research Institute, CU-Boulder is developing a membrane made of a gelled ionic liquid to capture CO2 from the exhaust of coal-fired power plants. The membranes are created by spraying the gelled ionic liquids in thin layers onto porous support structures using a specialized coating technique. The new membrane is highly efficient at pulling CO2 out of coal-derived flue gas exhaust while restricting the flow of other materials through it. The design involves few chemicals or moving parts and is more mechanically stable than current technologies. The team is now working to further optimize the gelled materials for CO2 separation and create a membrane layer that is less than 1 micrometer thick.

  3. Fluorescence energy transfer efficiency in labeled yeast cytochrome c: a rapid screen for ion biocompatibility in aqueous ionic liquids

    SciTech Connect

    Baker, Sheila N; Zhao, Hua; Pandey, Siddharth; Heller, William T; Bright, Frank; Baker, Gary A

    2011-01-01

    A fluorescence energy transfer de-quenching assay was implemented to follow the equilibrium unfolding behaviour of site-specific tetramethylrhodamine-labelled yeast cytochrome c in aqueous ionic liquid solutions; additionally, this approach offers the prospect of naked eye screening for biocompatible ion combinations in hydrated ionic liquids.

  4. Transport Version 3

    Energy Science and Technology Software Center

    2008-05-16

    The Transport version 3 (T3) system uses the Network News Transfer Protocol (NNTP) to move data from sources to a Data Reporisoty (DR). Interested recipients subscribe to newsgroups to retrieve data. Data in transport is protected by AES-256 and RSA cryptographic services provided by the external OpenSSL cryptographic libraries.

  5. Packaging and Transportation Safety

    Directives, Delegations, and Other Requirements [Office of Management (MA)]

    2003-04-04

    To establish safety requirements for the proper packaging and transportation of Department of Energy (DOE)/National Nuclear Security Administration (NNSA) offsite shipments and onsite transfers of hazardous materials and for modal transport. Cancels DOE O 460.1A. Canceled by DOE O 460.1C.

  6. Ionic liquids and ionic liquid acids with high temperature stability for fuel cell and other high temperature applications, method of making and cell employing same

    DOEpatents

    Angell, C. Austen; Xu, Wu; Belieres, Jean-Philippe; Yoshizawa, Masahiro

    2011-01-11

    Disclosed are developments in high temperature fuel cells including ionic liquids with high temperature stability and the storage of inorganic acids as di-anion salts of low volatility. The formation of ionically conducting liquids of this type having conductivities of unprecedented magnitude for non-aqueous systems is described. The stability of the di-anion configuration is shown to play a role in the high performance of the non-corrosive proton-transfer ionic liquids as high temperature fuel cell electrolytes. Performance of simple H.sub.2(g) electrolyte/O.sub.2(g) fuel cells with the new electrolytes is described. Superior performance both at ambient temperature and temperatures up to and above 200.degree. C. are achieved. Both neutral proton transfer salts and the acid salts with HSO.sup.-.sub.4 anions, give good results, the bisulphate case being particularly good at low temperatures and very high temperatures. The performance of all electrolytes is improved by the addition of a small amount of involatile base of pK.sub.a value intermediate between those of the acid and base that make the bulk electrolyte. The preferred case is the imidazole-doped ethylammonium hydrogensulfate which yields behavior superior in all respects to that of the industry standard phosphoric acid electrolyte.

  7. An improved thermodynamic model for the complexation of trivalent actinides and lanthanide with oxalic acid valid to high ionic strength.

    DOE PAGES [OSTI]

    Xiong, Yongliang; Thakur, Punam; Borkowski, Marian

    2015-07-30

    The dissociation constants of oxalic acid (Ox), and the stability constants of Am3+, Cm3+ and Eu3+ with Ox2– have been determined at 25 °C, over a range of concentration varying from 0.1 to 6.60 m NaClO4 using potentiometric titration and extraction techniques, respectively. The experimental data support the formation of complexes, M(Ox)n3 – 2n, where (M = Am3+, Cm3+ and Eu3+ and n = 1 and 2). The dissociation constant and the stability constant values measured as a function of NaClO4 concentration were used to estimate the Pitzer parameters for the respective interactions of Am3+, Cm3+ and Eu3+ with Ox.more » Furthermore, the stability constants data of Am3+ –Ox measured in NaClO4 and in NaCl solutions from the literature were simultaneously fitted in order to refine the existing actinide–oxalate complexation model that can be used universally in the safety assessment of radioactive waste disposal. The thermodynamic stability constant: log β0101 = 6.30 ± 0.06 and log β0102 = 10.84 ± 0.06 for Am3+ was obtained by simultaneously fitting data in NaCl and NaClO4 media. Additionally, log β0101 = 6.72 ± 0.08 and log β0102 = 11.05 ± 0.09 for the Cm3+ and log β0101 = 6.67 ± 0.08 and log β0102 = 11.15 ± 0.09 for the Eu3+ were calculated by extrapolation of data to zero ionic strength in NaClO4 medium only. For all stability constants, the Pitzer model gives an excellent representation of the data using interaction parameters β(0), β(1), and CΦ determined in this work. The thermodynamic model developed in this work will be useful in accurately modeling the potential solubility of trivalent actinides and early lanthanides to ionic strength of 6.60 m in low temperature environments in the presence of Ox. Furthermore, the work is also applicable to the accurate modeling transport of rare earth elements in various environments under the surface conditions.« less

  8. Oxygen Transport Ceramic Membranes

    SciTech Connect

    S. Bandopadhyay; T. Nithyanantham; X.-D Zhou; Y-W. Sin; H.U. Anderson; Alan Jacobson; C.A. Mims

    2006-05-01

    In this quarter a systematic analysis on the decomposition behavior of the OTM membranes at air and nitrogen were initiated to understand the structural and stoichiometric changes associated with elevated temperatures. Evaluation of the flexural strengths using 4-point bend test was also started for the dual phase membranes. Initial results on the synthesis of dual phase composite materials have been obtained. The measurements have focused on the compatibility of mixed conductors with the pure ionic conductors yttria stabilized zirconia (YSZ) and gadolinium doped ceria (GDC). The initial results obtained for three different mixed conductors suggest that (GDC) is the better choice. A new membrane permeation system has been designed and tested and sintering studies of biphasic systems are in progress.

  9. NREL: Transportation Research - Transportation and Hydrogen Newsletter:

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Fuels Performance Fuels Performance This is the September 2016 issue of the Transportation and Hydrogen Newsletter. September 26, 2016 A photo of a worker using a small crane to lift a cylindrical tank. Compressed natural gas (CNG) tanks, such as those shown above, should be retired from service following a safety protocol and manufacturers' instructions, according to NREL's CNG tank decommissioning video. Video Promotes Safe CNG Tank Decommissioning Practices A video on CNG fuel tank

  10. Equation of state for high explosives detonation products with explicit polar and ionic species

    SciTech Connect

    Bastea, S; Glaesemann, K R; Fried, L E

    2006-06-28

    We introduce a new thermodynamic theory for detonation products that includes polar and ionic species. The new formalism extends the domain of validity of the previously developed EXP6 equation of state library and opens the possibility of new applications. We illustrate the scope of the new approach on PETN detonation properties and water ionization models.

  11. Ionic Current Mapping Techniques and Applications to Aluminum-Copper Corrosion

    SciTech Connect

    Isaacs, H. S.; Jeffcoate, C. S.; Missert, N. A.; Barbour, J. C.

    1999-10-17

    Measurements have been made of the aluminum/metal galvanic couple. A wide range of geometries were investigated varying the areas of anodic and cathodic surfaces and employing specially designed galvanic cells with crevices. In situ ionic current density mapping was used to monitor galvanic corrosion and currents flowing between separated metals was measured.

  12. Ionic Liquids as templating agents in formation of uranium-containing nanomaterials

    SciTech Connect

    Visser, Ann E; Bridges, Nicholas J

    2014-06-10

    A method for forming nanoparticles containing uranium oxide is described. The method includes combining a uranium-containing feedstock with an ionic liquid to form a mixture and holding the mixture at an elevated temperature for a period of time to form the product nanoparticles. The method can be carried out at low temperatures, for instance less than about 300.degree. C.

  13. Thickness-dependent structural arrangement in nano-confined imidazolium-based ionic liquid films

    DOE PAGES [OSTI]

    Rouha, Michael; Cummings, Peter T.

    2014-12-24

    Here we report that a fundamental understanding of interfacial processes in nano-confined ionic liquids is crucial to increase the performance of modern energy storage devices. It is well-known that interfaces between electrodes and ionic liquids exhibit structures distinct from that of the bulk liquid. Following the recent interest in these systems, we studied the structure of thin ionic liquid films confined in flexible uncharged carbon nano-pores by using fully-atomistic molecular dynamics simulations. We show that the interfacial ions self-assemble into a closely-packed chequerboard-like pattern, formed by both cations and anions in direct contact with the pore wall, and that withinmore » this structure we find changes dependent on the thickness of the confined films. At low coverages a dense layer is formed in which both the imidazolium-ring and its alkyl-tail lie parallel to the pore wall. With increasing coverage the alkyl-chains reorient perpendicular to the surface, making space for additional ions until a densified highly ordered layer is formed. This wall-induced self-patterning into interfacial layers with significantly higher than bulk density is consistent with recent experimental and theoretical studies of similar systems. Lastly, this work reveals additional molecular-level details on the effect of the film-thickness on the structure and density of the ionic liquid.« less

  14. Influences of porous reservoir Laplace pressure on emissions from passively fed ionic liquid electrospray sources

    SciTech Connect

    Courtney, Daniel G. Shea, Herbert

    2015-09-07

    Passively fed ionic liquid electrospray sources are capable of efficiently emitting a variety of ion beams with promising applications to spacecraft propulsion and as focused ion beams. Practical devices will require integrated or coupled ionic liquid reservoirs; the effects of which have not been explored in detail. Porous reservoirs are a simple, scalable solution. However, we have shown that their pore size can dramatically alter the beam composition. Emitting the ionic liquid 1-ethyl-3-methylimidazolium bis(triflouromethylsulfonyl)amide, the same device was shown to yield either an ion or droplet dominated beam when using reservoirs of small or large pore size, respectively; with the latter having a mass flow in excess of 15 times larger than the former at negative polarity. Another source, emitting nearly purely ionic beams of 1-ethyl-3-methylimidazolium tetrafluoroborate, was similarly shown to emit a significant droplet population when coupled to reservoirs of large (>100 μm) pores; constituting a reduction in propulsive efficiency from greater than 70% to less than 30%. Furthermore, we show that reservoir selection can alter the voltage required to obtain and sustain emission, increasing with smaller pore size.

  15. Lyotropic Phase Behavior of Polybutadiene-Poly(ethylene oxide) Diblock Copolymers in Ionic Liquids

    SciTech Connect

    Simone, Peter M.; Lodge, Timothy P.

    2008-08-26

    The lyotropic phase behavior of three poly(1,2-butadiene-b-ethylene oxide) diblock copolymers (PB-PEO) with different monomer volume fractions has been studied in two different ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMI][TFSI]) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMI][PF{sub 6}]), across the complete concentration range. The ordered microstructures present in the solutions were characterized via small-angle X-ray scattering (SAXS). The phase diagrams for the PB-PEO/ionic liquid solutions include regions corresponding to the classical copolymer microstructures: body-centered-cubic lattices of spheres, hexagonally ordered cylinders, and lamellae. Additionally, the phase diagrams also include wide regions of coexisting microstructures and regions apparently corresponding to a disordered network microstructure. The phase behavior of the PB-PEO copolymers in both ionic liquids was comparable to their previously reported aqueous solution behavior. The temperature dependence of the phase diagrams was very modest, indicative of a highly segregated system. The level of solvent selectivity was also investigated via cryogenic transmission electron microscopy (cryo-TEM) on dilute solutions. On the basis of the morphology of the dilute solution copolymer aggregate structures in the ionic liquid solvents, and on the structural length scales of the concentrated solutions, it was concluded that for PB-PEO [BMI][PF{sub 6}] behaves as a more selective solvent than [EMI][TFSI].

  16. WIPP Transportation (FINAL)

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    WIPP TRANSPORTATION SYSTEM Waste Isolation Pilot Plant U.S. Department Of Energy The U.S. Department of Energy (DOE) has established an elaborate system for safely transporting transuranic, or TRU, radioactive waste to the Waste Isolation Pilot Plant (WIPP) for permanent disposal, or between generator sites. The waste is transported in four shipping casks approved for use by the U.S. Nuclear Regulatory Commission (NRC). Three shipping casks, the TRUPACT-II, HalfPACT and TRUPACT-III, are designed

  17. Transportation for Lab Employees

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Transportation for Lab Employees Choose the transportation option that works best for you: car, rail, taxi or public transit Contact Us Email Getting to the Lab Whether it be for an interview or a day on the job, using the right map and directions will make your travel to the Lab much easier. Visit our Maps webpage for maps and directions on how to get to Los Alamos from various communities in Northern New Mexico. Commuting options Sixty-six percent of the Los Alamos workforce

  18. EBS Radionuclide Transport Abstraction

    SciTech Connect

    J.D. Schreiber

    2005-08-25

    The purpose of this report is to develop and analyze the engineered barrier system (EBS) radionuclide transport abstraction model, consistent with Level I and Level II model validation, as identified in ''Technical Work Plan for: Near-Field Environment and Transport: Engineered Barrier System: Radionuclide Transport Abstraction Model Report Integration'' (BSC 2005 [DIRS 173617]). The EBS radionuclide transport abstraction (or EBS RT Abstraction) is the conceptual model used in the total system performance assessment for the license application (TSPA-LA) to determine the rate of radionuclide releases from the EBS to the unsaturated zone (UZ). The EBS RT Abstraction conceptual model consists of two main components: a flow model and a transport model. Both models are developed mathematically from first principles in order to show explicitly what assumptions, simplifications, and approximations are incorporated into the models used in the TSPA-LA. The flow model defines the pathways for water flow in the EBS and specifies how the flow rate is computed in each pathway. Input to this model includes the seepage flux into a drift. The seepage flux is potentially split by the drip shield, with some (or all) of the flux being diverted by the drip shield and some passing through breaches in the drip shield that might result from corrosion or seismic damage. The flux through drip shield breaches is potentially split by the waste package, with some (or all) of the flux being diverted by the waste package and some passing through waste package breaches that might result from corrosion or seismic damage. Neither the drip shield nor the waste package survives an igneous intrusion, so the flux splitting submodel is not used in the igneous scenario class. The flow model is validated in an independent model validation technical review. The drip shield and waste package flux splitting algorithms are developed and validated using experimental data. The transport model considers

  19. The Geography of Transport Systems-Maritime Transportation |...

    OpenEI (Open Energy Information) [EERE & EIA]

    report Website: people.hofstra.edugeotransengch3enconc3ench3c4en.html Cost: Free Language: English References: Maritime Transportation1 "Maritime transportation, similar to...

  20. J-aggregation of ionic liquid solutions of meso-tetrakis(4-sulfonatophenyl)porphyrin

    SciTech Connect

    Ali, Maroof; Kumar, Vinod; Baker, Sheila N; Baker, Gary A; Pandey, Siddharth

    2010-01-01

    The title porphyrin was dissolved in the hydrophilic ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim][BF4], and triggered to assemble into J-aggregates by the addition of incremental volumes of water containing various amounts of acid (0.1, 0.2, or 1.0 M HCl). In contrast to recent studies, the current investigation is unique in that it centers on media that contain a predominant ionic liquid component (2.9 5.4 M [bmim][BF4]), as opposed to an aqueous electrolyte containing a small fraction of ionic liquid as dissociated solute. Complex aggregation and underlying photophysical behavior are revealed from absorption spectroscopy, steady-state fluorescence, and resonance light scattering studies. Upon addition of aqueous HCl, the efficient formation of H4TPPS2 J-aggregates from the diprotonated form of meso-tetrakis(4-sulfonatophenyl)porphyrin (H2TPPS4) occurs in [bmim][BF4]-rich media in a manner highly dependent upon the acidity, TPPS concentration, and solvent composition. The unique features of TPPS aggregation in this ionic liquid were elucidated, including the surprising disassembly of J-aggregates at higher aqueous contents, and our results are described qualitatively in terms of the molecular exciton theory. Finally, the potential of this system for the optical sensing of water at a sensitivity below 0.5 wt% is demonstrated. Overall, our findings accentuate how little is known about functional self-assembly within ionic liquids and suggest a number of avenues for exploring this completely untouched research landscape.

  1. Ionic liquid assisted hydrothermal fabrication of hierarchically organized γ-AlOOH hollow sphere

    SciTech Connect

    Tang, Zhe; Liu, Yunqi; Li, Guangci; Hu, Xiaofu; Liu, Chenguang

    2012-11-15

    Highlights: ► The γ-AlOOH hollow spheres were synthesized via an ionic liquid-assisted hydrothermal treatment. ► Ionic liquid plays an important role in the morphology of the product. ► Ionic liquid can be easily removed from the product and reused in next experiment. ► A “aggregation–solution–recrystallization” formation mechanism may occur in the system. -- Abstract: Hierarchically organized γ-AlOOH hollow spheres with nanoflake-like porous surface texture have been successfully synthesized via an ionic liquid-assisted hydrothermal synthesis method in citric acid monohydrate (CAMs). It was found that ionic liquid [bmim]{sup +}Cl{sup −} played an important role in the morphology of the product due to its strong interactions with reaction particles. The samples were characterized by X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Scanning Electron Microscope (SEM) and Transmission Electron Microscopy (TEM). The results show that the product has narrow particle size distribution (500–900 nm particle diameter range), high specific surface area (240.5 m{sup 2}/g) and large pore volume (0.61 cm{sup 3}/g). The corresponding γ-Al{sub 2}O{sub 3} hollow spheres can be obtained by calcining it at 550 °C for 3 h. The proposed formation mechanism and other influencing factors of the γ-AlOOH hollow sphere material, such as reaction temperature, reaction duration, CAMs and urea, have also been investigated.

  2. Transportation Baseline Report

    SciTech Connect

    Fawcett, Ricky Lee; Kramer, George Leroy Jr.

    1999-12-01

    The National Transportation Program 1999 Transportation Baseline Report presents data that form a baseline to enable analysis and planning for future Department of Energy (DOE) Environmental Management (EM) waste and materials transportation. In addition, this Report provides a summary overview of DOEs projected quantities of waste and materials for transportation. Data presented in this report were gathered as a part of the IPABS Spring 1999 update of the EM Corporate Database and are current as of July 30, 1999. These data were input and compiled using the Analysis and Visualization System (AVS) which is used to update all stream-level components of the EM Corporate Database, as well as TSD System and programmatic risk (disposition barrier) information. Project (PBS) and site-level IPABS data are being collected through the Interim Data Management System (IDMS). The data are presented in appendices to this report.

  3. Accident resistant transport container

    DOEpatents

    Andersen, John A.; Cole, James K.

    1980-01-01

    The invention relates to a container for the safe air transport of plutonium having several intermediate wood layers and a load spreader intermediate an inner container and an outer shell for mitigation of shock during a hypothetical accident.

  4. Transportation | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Data From AEO2011 report . Market Trends From 2009 to 2035, transportation sector energy consumption grows at an average annual rate of 0.6 percent (from 27.2 quadrillion Btu...

  5. Accident resistant transport container

    DOEpatents

    Anderson, J.A.; Cole, K.K.

    The invention relates to a container for the safe air transport of plutonium having several intermediate wood layers and a load spreader intermediate an inner container and an outer shell for mitigation of shock during a hypothetical accident.

  6. Electron Heat Transport Measured

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Heat Transport Measured in a Stochastic Magnetic Field T. M. Biewer, * C. B. Forest, ... limit of s &29; 1, RR assumed the electron heat flux to be diffusive, obeying Fourier's ...

  7. Program Analyst (Transportation Safety)

    Energy.gov [DOE]

    A successful candidate in this position will serve as a Program Analyst(Transportation Safety) supporting and advising management on safety and health matters for nuclear and non-nuclear activities.

  8. Transportation fuels from wood

    SciTech Connect

    Baker, E.G.; Elliott, D.C.; Stevens, D.J.

    1980-01-01

    The various methods of producing transportation fuels from wood are evaluated in this paper. These methods include direct liquefaction schemes such as hydrolysis/fermentation, pyrolysis, and thermochemical liquefaction. Indirect liquefaction techniques involve gasification followed by liquid fuels synthesis such as methanol synthesis or the Fischer-Tropsch synthesis. The cost of transportation fuels produced by the various methods are compared. In addition, three ongoing programs at Pacific Northwest Laboratory dealing with liquid fuels from wood are described.

  9. Fluid transport container

    DOEpatents

    DeRoos, Bradley G.; Downing, Jr., John P.; Neal, Michael P.

    1995-01-01

    An improved fluid container for the transport, collection, and dispensing of a sample fluid that maintains the fluid integrity relative to the conditions of the location at which it is taken. More specifically, the invention is a fluid sample transport container that utilizes a fitment for both penetrating and sealing a storage container under controlled conditions. Additionally, the invention allows for the periodic withdrawal of portions of the sample fluid without contamination or intermixing from the environment surrounding the sample container.

  10. Tape transport mechanism

    DOEpatents

    Groh, Edward F.; McDowell, William; Modjeski, Norbert S.; Keefe, Donald J.; Groer, Peter

    1979-01-01

    A device is provided for transporting, in a stepwise manner, tape between a feed reel and takeup reel. An indexer moves across the normal path of the tape displacing it while the tape on the takeup reel side of the indexer is braked. After displacement, the takeup reel takes up the displaced tape while the tape on the feed reel side of the indexer is braked, providing stepwise tape transport in precise intervals determined by the amount of displacement caused by the indexer.

  11. Fluid transport container

    DOEpatents

    DeRoos, B.G.; Downing, J.P. Jr.; Neal, M.P.

    1995-11-14

    An improved fluid container for the transport, collection, and dispensing of a sample fluid that maintains the fluid integrity relative to the conditions of the location at which it is taken. More specifically, the invention is a fluid sample transport container that utilizes a fitting for both penetrating and sealing a storage container under controlled conditions. Additionally, the invention allows for the periodic withdrawal of portions of the sample fluid without contamination or intermixing from the environment surrounding the sample container. 13 figs.

  12. NREL: Transportation Research - Projects

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Projects Illustration of aerodynamic light-, medium, and heavy-duty vehicles. NREL research helps optimize the energy efficiency of a wide range of vehicle technologies and applications. NREL's innovative transportation research, development, and deployment projects accelerate widespread adoption of high-performance, low-emission, energy-efficient passenger and freight vehicles, as well as alternative fuels and related infrastructure. The following NREL transportation projects are propelling

  13. Transportation Data Archiving

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Data Archiving This email address is being protected from spambots. You need JavaScript enabled to view it. - TRACC Director Background Urban and regional transportation planning and operations applications, (e.g. traffic modeling) require a large volume of accurate traffic-related data for a wide range of conditions. Significant real-time data on traffic volumes, highway construction, accidents, weather, airline flights, commuter and rail schedules, etc., are recorded each day by

  14. Transportation Politics and Policy

    Gasoline and Diesel Fuel Update

    Reducing Greenhouse Gas Emissions from U.S. Transportation Steven Plotkin, Argonne National Laboratory (co-author is David Greene of Oak Ridge) 2011 EIA Energy Conference May 26-27, 2011 Washington, DC Overview  Presentation based on recent report from the Pew Center on Global Climate Change  Task: Assess the potential to substantially reduce transportation's GHG emissions by 2035 & 2050.  Base Case: Annual Energy Outlook 2010 Reference Case, extended to 2050  Three scenarios

  15. Badger Transport | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Transport Jump to: navigation, search Name: Badger Transport Place: Clintonville, Wisconsin Zip: 54929 Product: Heavy haul and specialty trucking company active in the US Midwest....

  16. Washington: Integrated Transportation Programs & Coordinated...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Integrated Transportation Programs & Coordinated Regional Planning Washington: Integrated Transportation Programs & Coordinated Regional Planning November 6, 2013 - 5:42pm Addthis ...

  17. Transportation Resources | Advanced Photon Source

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Resources The following means of transportation are available for getting to Argonne. Airports Argonne is located within 25 miles of two major Chicago airports:...

  18. Sustainable Transportation - Continuum Magazine | NREL

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    A Closer Look Slideshow: Sustainable Transportation NREL research, development, and ... Continuum Sustainable Transportation Fall 2013 Issue 5 Download the print version. RSS ...

  19. Spring 2016 National Transportation Stakeholders Forum Meeting...

    Office of Environmental Management (EM)

    Transportation Stakeholders Forum Meeting, Florida Spring 2016 National Transportation Stakeholders Forum Meeting, Florida Spring 2016 National Transportation Stakeholders ...

  20. California Department of Transportation | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Transportation Jump to: navigation, search Name: California Department of Transportation Place: Sacramento, California References: California Department of Transportation1 This...

  1. Implementing Advances in Transport Security Technologies | Department...

    Office of Environmental Management (EM)

    Implementing Advances in Transport Security Technologies Implementing Advances in Transport Security Technologies Implementing Advances in Transport Security Technologies More...

  2. Transportation Efficiency Resources | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Resources Transportation Efficiency Resources Transportation efficiency reduces travel demand as measured by vehicle miles traveled (VMT). While transportation efficiency policies ...

  3. National Transportation Stakeholders Forum (NTSF) Charter | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Services Waste Management Packaging and Transportation National Transportation Stakeholders Forum National Transportation Stakeholders Forum (NTSF) Charter National ...

  4. Spring 2015 National Transportation Stakeholders Forum Meeting...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Transportation Stakeholders Forum Meeting, New Mexico Spring 2015 National Transportation Stakeholders Forum Meeting, New Mexico Spring 2015 National Transportation Stakeholders ...

  5. Origin of electrochemical, structural and transport properties in non-aqueous zinc electrolytes

    DOE PAGES [OSTI]

    Han, Sang -Don; Rajput, Nav Nidhi; Qu, Xiaohui; Pan, Baofei; He, Meinan; Ferrandon, Magali S.; Liao, Chen; Persson, Kristin A.; Burrell, Anthony K.

    2016-01-14

    Through coupled experimental analysis and computational techniques, we uncover the origin of anodic stability for a range of nonaqueous zinc electrolytes. By examination of electrochemical, structural, and transport properties of nonaqueous zinc electrolytes with varying concentrations, it is demonstrated that the acetonitrile Zn(TFSI)2, acetonitrile Zn(CF3SO3)2, and propylene carbonate Zn(TFSI)2 electrolytes can not only support highly reversible Zn deposition behavior on a Zn metal anode (≥99% of Coulombic efficiency), but also provide high anodic stability (up to ~3.8 V). The predicted anodic stability from DFT calculations is well in accordance with experimental results, and elucidates that the solvents play an importantmore » role in anodic stability of most electrolytes. Molecular dynamics (MD) simulations were used to understand the solvation structure (e.g., ion solvation and ionic association) and its effect on dynamics and transport properties (e.g., diffusion coefficient and ionic conductivity) of the electrolytes. Lastly, the combination of these techniques provides unprecedented insight into the origin of the electrochemical, structural, and transport properties in nonaqueous zinc electrolytes« less

  6. Non-nuclear Electron Transport Channels in Hollow Molecules

    SciTech Connect

    Zhao, Jin; Petek, Hrvoje

    2014-08-15

    Electron transport in inorganic semiconductors and metals occurs through delocalized bands formed by overlapping electron orbitals. Strong correlation of electronic wave functions with the ionic cores couples the electron and lattice motions, leading to efficient interaction and scattering that degrades coherent charge transport. By contrast, unoccupied electronic states at energies near the vacuum level with diffuse molecular orbitals may form nearly-free-electron bands with density maxima in non-nuclear interstitial voids, which are subject to weaker electron-phonon interaction. The position of such bands typically above the frontier orbitals, however, renders them unstable with respect to electronic interband relaxation and therefore unsuitable for charge transport. Through electronic-structure calculations, we engineer stable, non-nuclear, nearly-free-electron conduction channels in low-dimensional molecular materials by tailoring their electrostatic and polarization potentials. We propose quantum structures of graphane-derived Janus molecular sheets with spatially isolated conducting and insulating regions that potentially exhibit emergent electronic properties, as a paradigm for molecular-scale non-nuclear charge conductors; we also describe tuning of their electronic properties by application of external fields and calculate their electron–acoustic-phonon interaction.

  7. NREL: Transportation Research - Transportation and Hydrogen Newsletter:

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Energy Storage Energy Storage This is the November 2015 issue of the Transportation and Hydrogen Newsletter. November 6, 2015 Photo of a light blue car with a pump nozzle in front of a fuel dispenser. Hydrogen is pumped into a fuel cell electric vehicle at NREL's new station. Image by Dennis Schroeder/NREL 34598 New H2 Station Launched In fuel cell electric vehicles, energy is stored in hydrogen gas and then converted to electricity in a fuel cell. In October, NREL dedicated a 700-bar

  8. NREL: Transportation Research - Transportation and Hydrogen Newsletter:

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Market Impact Hydrogen Fuel Cells This is the July 2016 issue of the Transportation and Hydrogen Newsletter. July 28, 2016 A photo of a public hydrogen fuel cell bus parked in a parking lot. Fuel cell electric buses (FCEBs), such as this one operating in Oakland, California, are providing data to compare FCEB performance with that of buses using conventional technology. Photo by Leslie Eudy, NREL NREL Helps Pave Way for H2 Technologies As deployment of hydrogen fueling stations increases to

  9. Transportation Anslysis Simulation System

    Energy Science and Technology Software Center

    2004-08-23

    TRANSIMS version 3.1 is an integrated set of analytical and simulation models and supporting databases. The system is designed to create a virtual metropolitan region with representation of each of the region’s individuals, their activities and the transportation infrastructure they use. TRANSIMS puts into practice a new, disaggregate approach to travel demand modeling using agent-based micro-simulation technology. TRANSIMS methodology creates a virtual metropolitan region with representation of the transportation infrastructure and the population, at themore » level of households and individual travelers. Trips a planned to satisfy the population’s activity pattems at the individual traveler level. TRANSIMS then simulates the movement of travelers and vehicles across the transportation network using multiple modes, including car, transit, bike and walk, on a second-by-second basis. Metropolitan planners must plan growth of their cities according to the stringent transportation system planning requirements of the Interniodal Surface Transportation Efficiency Act of 1991, the Clean Air Act Amendments of 1990 and other similar laws and regulations. These require each state and its metropotitan regions to work together to develop short and long term transportation improvement plans. The plans must (1) estimate the future transportation needs for travelers and goods movements, (2) evaluate ways to manage and reduce congestion, (3) examine the effectiveness of building new roads and transit systems, and (4) limit the environmental impact of the various strategies. The needed consistent and accurate transportation improvement plans require an analytical capability that properly accounts for travel demand, human behavior, traffic and transit operations, major investments, and environmental effects. Other existing planning tools use aggregated information and representative behavior to predict average response and average use of transportation facilities. They do not

  10. Water Transport Within the STack: Water Transport Exploratory Studies |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Within the STack: Water Transport Exploratory Studies Water Transport Within the STack: Water Transport Exploratory Studies Part of a $100 million fuel cell award announced by DOE Secretary Bodman on Oct. 25, 2006. 2_lanl.pdf (22.05 KB) More Documents & Publications Water Transport Exploratory Studies Fuel Cell Kickoff Meeting Agenda

  11. Project Profile: Thermally-Stable Ionic Liquid Carriers for Nanoparticle-Based Heat Transfer in CSP Applications

    Energy.gov [DOE]

    Savannah River National Laboratory, under an ARRA CSP Award, is performing research to better understand the thermal stability of low-temperature organic molten salts, which are commonly referred to as ionic liquids (ILs).

  12. Chapter 17 - Transportation

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    8,2005 MEMORANDUM FOR FROM: SUBJECT: Accounting Handbook - Chapter 1 7, Transportation Attached is the final version of Chapter 17, "Transportation," of the Department's Accounting Handbook. A draft version of this chapter was circulated for review and comment in a November 1,2004, memorandum "Request for Review of D r a f t DOE Accounting Handbook Chapter 17." There were no comments on this chapter. We appreciate your assistance in the update of the Accounting Handbook. When

  13. Crosslinked polymer gel electrolytes based on polyethylene glycol methacrylate and ionic liquid for lithium battery applications

    SciTech Connect

    Liao, Chen; Sun, Xiao-Guang; Dai, Sheng

    2013-01-01

    Gel polymer electrolytes were synthesized by copolymerization polyethylene glycol methyl ether methacrylate with polyethylene glycol dimethacrylate in the presence of a room temperature ionic liquid, methylpropylpyrrolidinium bis(trifluoromethanesulfonyl)imide (MPPY TFSI). The physical properties of gel polymer electrolytes were characterized by thermal analysis, impedance spectroscopy, and electrochemical tests. The ionic conductivities of the gel polymer electrolytes increased linearly with the amount of MPPY TFSI and were mainly attributed to the increased ion mobility as evidenced by the decreased glass transition temperatures. Li||LiFePO4 cells were assembled using the gel polymer electrolytes containing 80 wt% MPPY TFSI via an in situ polymerization method. A reversible cell capacity of 90 mAh g 1 was maintained under the current density of C/10 at room temperature, which was increased to 130 mAh g 1 by using a thinner membrane and cycling at 50 C.

  14. Anion effects in the extraction of lanthanide 2-thenoyltrifluoroacetone complexes into an ionic liquid

    SciTech Connect

    Jensen, Mark P.; Beitz, James V.; Rickert, Paul G.; Borkowski, Marian; Laszak, Ivan; Dietz, Mark L.

    2012-07-01

    The extraction of trivalent lanthanides from an aqueous phase containing 1 M NaClO{sub 4} into the room temperature ionic liquid 1-butyl-3-methylimidazolium nonafluoro-1-butane sulfonate by the beta-diketone extractant 2-thenoyltrifluoroacetone (Htta) was studied. Radiotracer distribution, absorption spectroscopy, time-resolved laser-induced fluorescence spectroscopy, and X-ray absorption fine structure measurements point to the extraction of multiple lanthanide species. At low extractant concentrations, fully hydrated aqua cations of the lanthanides are present in the ionic liquid phase. As the extractant concentration is increased 1:2 and 1:3 lanthanide:tta species are observed. In contrast, 1:4 Ln:tta complexes were observed in the extraction of lanthanides by Htta into 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide. (authors)

  15. Iron hydroxyl phosphate microspheres: Microwave-solvothermal ionic liquid synthesis, morphology control, and photoluminescent properties

    SciTech Connect

    Cao Shaowen; Zhu Yingjie; Cui Jingbiao

    2010-07-15

    A variety of iron hydroxyl phosphate (NH{sub 4}Fe{sub 2}(PO{sub 4}){sub 2}OH.2H{sub 2}O) nanostructures such as solid microspheres, microspheres with the core in the hollow shell, and double-shelled hollow microspheres were synthesized by a simple one-step microwave-solvothermal ionic liquid method. The effects of the experimental parameters on the morphology and crystal phase of the resultant materials were investigated. Structural dependent photoluminescence was observed from the double-shelled hollow microspheres and the underlying mechanisms were discussed. - Graphical abstract: A variety of iron hydroxyl phosphate (NH{sub 4}Fe{sub 2}(PO{sub 4}){sub 2}OH.2H{sub 2}O) nanostructures were synthesized by a simple one-step microwave-solvothermal ionic liquid method. Structural dependent photoluminescence was observed from the double-shelled hollow microspheres.

  16. {ital Ab initio} lattice dynamics of BN and AlN: Covalent versus ionic forces

    SciTech Connect

    Karch, K.; Bechstedt, F.

    1997-09-01

    We report first-principles calculations of the structural, lattice-dynamical, and dielectric properties for zinc-blende and wurtzite BN and AlN. The ground-state properties, i.e., the lattice constants, the bulk moduli, the ionicity factors of the chemical bonds, and the elastic constants, are calculated using a plane-wave-pseudopotential method within the density-functional theory. A linear-response approach to the density-functional theory is used to derive the Born effective charges, the high-frequency dielectric constants, and the phonon frequencies and eigenvectors. The different behavior of the structural and lattice-dynamical properties of BN and AlN is discussed in terms of the different ionicities, strengths of the covalent bonds, and the atomic masses. Our results are in excellent agreement with the experimental data available. {copyright} {ital 1997} {ital The American Physical Society}

  17. Ionic liquid-functionalized mesoporous sorbents and their use in the capture of polluting gases

    DOEpatents

    Lee, Jong Suk; Koros, William J.; Bhuwania, Nitesh; Hillesheim, Patrick C.; Dai, Sheng

    2016-01-12

    A composite structure for capturing a gaseous electrophilic species, the composite structure comprising mesoporous refractory sorbent particles on which an ionic liquid is covalently attached, wherein said ionic liquid includes an accessible functional group that is capable of binding to said gaseous electrophilic species. In particular embodiments, the mesoporous sorbent particles are contained within refractory hollow fibers. Also described is a method for capturing a gaseous electrophilic species by use of the above-described composite structure, wherein the gaseous electrophilic species is contacted with the composite structure. In particular embodiments thereof, cooling water is passed through the refractory hollow fibers containing the IL-functionalized sorbent particles in order to facilitate capture of the gaseous electrophilic species, and then steam is passed through the refractory hollow fibers to facilitate release of the gaseous electrophilic species such that the composite structure can be re-used to capture additional gas.

  18. Variation of stability constants of thorium citrate complexes and of thorium hydrolysis constants with ionic strength

    SciTech Connect

    Choppin, G.R.; Erten, H.N.; Xia, Y.X.

    1995-09-01

    Citrate is among the organic anions that are expected to be present in the wastes planned for deposition in the Waste Isolation Pilot Plant repository. In this study, a solvent extraction method has been used to measure the stability constants of Thorium(IV)[Th(IV)] with citrate anions in aqueous solutions with (a) NaClO{sub 4} and (b) NaCl as the background electrolytes. The ionic strengths were varied up to 5 m (NaCl) and 14 m (NaClO{sub 4}). The data from the NaClO{sub 4} solutions at varying pH values were used to calculate the hydrolysis constants for formation of Th(OH){sup 3+} at the different ionic strengths.

  19. Recovery of sugars from ionic liquid biomass liquor by solvent extraction

    DOEpatents

    Brennan, Timothy Charles R.; Holmes, Bradley M.; Simmons, Blake A.; Blanch, Harvey W.

    2015-10-13

    The present invention provides for a composition comprising a solution comprising (a) an ionic liquid (IL) or ionic liquid-aqueous (ILA) phase and (b) an organic phase, wherein the solution comprises a sugar and a boronic acid. The present invention also provides for a method of removing a sugar from a solution, comprising: (a) providing a solution comprising (i) an IL or ILA phase and (ii) an organic phase, wherein the solution comprises an IL, a sugar and a boronic acid; (b) contacting the sugar with the boronic acid to form a sugar-boronic acid complex, (c) separating the organic phase and the aqueous phase, wherein the organic phase contains the sugar-boronic acid complex, and optionally (d) separating the sugar from the organic phase.

  20. Effect of Hydrogen Passivation on the Electronic Structure of Ionic Semiconductor Nanostructures

    SciTech Connect

    Deng, H. X.; Li, S. S.; Li, J. B.; Wei, S. H.

    2012-05-15

    In theoretical studies of thin film and nanostructured semiconductors, pseudohydrogen (PH) is widely used to passivate the surface dangling bonds. Based on these calculations, it is often believed that nanostructured semiconductors, due to quantum confinement, have a larger band gap than their bulk counterparts. Using first-principles band structure theory calculation and comparing systematically the differences between PH-passivated and real-hydrogen-passivated (RH-passivated) semiconductor surfaces and nanocrystals, we show that, unlike PH passivation that always increases the band gap with respect to the bulk value, RH passivation of the nanostructured semiconductors can either increase or decrease the band gap, depending on the ionicity of the nanocompounds. The differences between PH and RH passivations decreases when the covalency of the semiconductor increases and can be explained using a band coupling model. This observation greatly increases the tunability of nanostructured semiconductor properties, especially for wide-gap ionic semiconductors.

  1. CASL - Radiation Transport Methods Update

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Radiation Transport Methods Update The Radiation Transport Methods (RTM) focus area is responsible for the development of methods, algorithms, and implementations of radiation transport methods as they apply to the design and analysis of light water nuclear reactors. the fundamental areas of investigation in RTM include high-order deterministic transport low-order transport approximations multigroup cross section generation depletion as it applies to in-core neutronics and material coupling

  2. Methods for conversion of carbohydrates in ionic liquids to value-added chemicals

    DOEpatents

    Zhao, Haibo; Holladay, Johnathan E.

    2011-05-10

    Methods are described for converting carbohydrates including, e.g., monosaccharides, disaccharides, and polysaccharides in ionic liquids to value-added chemicals including furans, useful as chemical intermediates and/or feedstocks. Fructose is converted to 5-hydroxylmethylfurfural (HMF) in the presence of metal halide and acid catalysts. Glucose is effectively converted to HMF in the presence of chromium chloride catalysts. Yields of up to about 70% are achieved with low levels of impurities such as levulinic acid.

  3. Fabrication of hollow mesoporous NiO hexagonal microspheres via hydrothermal process in ionic liquid

    SciTech Connect

    Zhao, Jinbo; School of Materials Science and Engineering, Shandong University, 250061, Jinan ; Wu, Lili; School of Materials Science and Engineering, Shandong University, 250061, Jinan ; Zou, Ke; School of Materials Science and Engineering, Shandong University, 250061, Jinan

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer Ni(OH){sub 2} precursors were synthesized in ionic liquid and water solution by hydrothermal method. Black-Right-Pointing-Pointer NiO hollow microspheres were prepared by thermal treatment of Ni(OH){sub 2} precursors. Black-Right-Pointing-Pointer NiO hollow microspheres were self-assembled by mesoporous cubic and hexagonal nanocrystals with high specific surface area. Black-Right-Pointing-Pointer The mesoporous structure is stable at 773 K. Black-Right-Pointing-Pointer The ionic liquid absorbed on the O-terminate surface of the crystals to form hydrogen bond and played key roles in determining the final shape of the NiO novel microstructure. -- Abstract: The novel NiO hexagonal hollow microspheres have been successfully prepared by annealing Ni(OH){sub 2}, which was synthesized via an ionic liquid-assisted hydrothermal method. The samples were characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM), transmission electron microscopy (TEM), N{sub 2} adsorption-desorption and Fourier transform infrared spectrometer (FTIR). The results show that the hollow NiO microstructures are self-organized by mesoporous cubic and hexagonal nanocrystals. The mesoporous structure possessed good thermal stability and high specific surface area (ca. 83 m{sup 2}/g). The ionic liquid 1-butyl-3methylimidazolium tetrafluoroborate ([Bmim][BF{sub 4}]) was found to play a key role in controlling the morphology of NiO microstructures during the hydrothermal process. The special hollow mesoporous architectures will have potential applications in many fields, such as catalysts, absorbents, sensors, drug-delivery carriers, acoustic insulators and supercapacitors.

  4. Closing the Loop: Ionic Liquids from Biomass Waste Could Pretreat Plants

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Destined for Biofuels | U.S. DOE Office of Science (SC) Closing the Loop: Ionic Liquids from Biomass Waste Could Pretreat Plants Destined for Biofuels Advanced Scientific Computing Research (ASCR) ASCR Home About Research Facilities Science Highlights Benefits of ASCR Funding Opportunities Advanced Scientific Computing Advisory Committee (ASCAC) Community Resources Contact Information Advanced Scientific Computing Research U.S. Department of Energy SC-21/Germantown Building 1000 Independence

  5. Closing the Loop: Ionic Liquids from Biomass Waste Could Pretreat Plants

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Destined for Biofuels | U.S. DOE Office of Science (SC) Closing the Loop: Ionic Liquids from Biomass Waste Could Pretreat Plants Destined for Biofuels Biological and Environmental Research (BER) BER Home About Research Facilities Science Highlights Searchable Archive of BER Highlights External link Benefits of BER Funding Opportunities Biological & Environmental Research Advisory Committee (BERAC) Community Resources Contact Information Biological and Environmental Research U.S.

  6. 2013 DOE Bioenergy Technologies Office (BETO) Project Peer Review Development of Biofuels Using Ionic Transfer Membranes

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Development of Biofuels Using Ionic Transfer Membranes Phase III May 20-23, 2013 Technology Area Review: Biofuels Principal Investigator: Dr. Kris Lipinska, University of Nevada Las Vegas Investigators: S. Balagopal, Ceramatec Inc. Dr. O. Hemmers, UNLV Dr. C. Bae, Rensselaer Polytechnic Institute This presentation does not contain any proprietary, confidential, or otherwise restricted information Goal Statement & Project Overview - 1 * Sodium methoxide (SMO) is an effective catalyst for the

  7. Hollow fiber-supported designer ionic liquid sponges for post-combustion CO2 scrubbing

    SciTech Connect

    Lee, JS; Hillesheim, PC; Huang, DK; Lively, RP; Oh, KH; Dai, S; Koros, WJ

    2012-11-30

    A proof of concept study for a new type of carbon capture system is considered for post-combustion CO2 capture based on porous hollow fiber sorbents with ionic liquids sorbed in the cell walls of the fiber. This study proves that delicate morphological features in the open-celled porous wall can be maintained during the infusion process. Mixtures of task specific ionic liquid (i.e. [BMIM][Tf2N]) and superbase (i.e. DBU) were loaded into polyamide-imide (PAI) fibers by a so-called two-step non-solvent infusion protocol. In the protocol, methanol carries ionic liquids into the pore cell walls of hollow fibers and then hexane carries superbase to create an efficient CO2 sorbent. Our ionic liquid/superbase impregnation technique overcomes a serious increase in mass transfer resistance upon reaction with CO2, thereby allowing its large scale utilization for post-combustion CO2 capture. The investigation on the effect of different pore former additives (different molecular weights of polyvinylpyrrolidone, lithium nitrate, and their mixtures) suggested that a large molecular weight of PVP (M-w; 1300k) including dope composition produces highly interconnected open cell pore structures of PAI hollow fibers. Lastly, a lumen side barrier layer was successfully formed on the bore side of neat PAI fibers by using a mixture of Neoprene (R) with crosslinking agents (TSR-633) via a post-treatment process. The lumen layer will enable heat removal from the fiber sorbents during their application in rapid thermal swing cycling processes. (C) 2012 Elsevier Ltd. All rights reserved.

  8. Anion pairs in room temperature ionic liquids predicted by molecular dynamics simulation, verified by spectroscopic characterization

    SciTech Connect

    Schwenzer, Birgit; Kerisit, Sebastien N.; Vijayakumar, M.

    2014-01-01

    Molecular-level spectroscopic analyses of an aprotic and a protic room-temperature ionic liquid, BMIM OTf and BMIM HSO4, respectively, have been carried out with the aim of verifying molecular dynamics simulations that predict anion pair formation in these fluid structures. Fourier-transform infrared spectroscopy, Raman spectroscopy and nuclear magnetic resonance spectroscopy of various nuclei support the theoretically-determined average molecular arrangements.

  9. Electronically and ionically conductive porous material and method for manufacture of resin wafers therefrom

    DOEpatents

    Lin, YuPo J.; Henry, Michael P.; Snyder, Seth W.

    2011-07-12

    An electrically and ionically conductive porous material including a thermoplastic binder and one or more of anion exchange moieties or cation exchange moieties or mixtures thereof and/or one or more of a protein capture resin and an electrically conductive material. The thermoplastic binder immobilizes the moieties with respect to each other but does not substantially coat the moieties and forms the electrically conductive porous material. A wafer of the material and a method of making the material and wafer are disclosed.

  10. Electronically and ionically conductive porous material and method for manufacture of resin wafers therefrom

    DOEpatents

    Lin, YuPo J.; Henry, Michael P.; Snyder, Seth W.

    2008-11-18

    An electrically and ionically conductive porous material including a thermoplastic binder and one or more of anion exchange moieties or cation exchange moieties or mixtures thereof and/or one or more of a protein capture resin and an electrically conductive material. The thermoplastic binder immobilizes the moieties with respect to each other but does not substantially coat the moieties and forms the electrically conductive porous material. A wafer of the material and a method of making the material and wafer are disclosed.

  11. Synergistic Effects Between Phosphonium-Alkylphosphate Ionic Liquids and Zinc Dialkyldithiophosphate (ZDDP) as Lubricant Additives

    SciTech Connect

    Qu, Jun; Barnhill, William C.; Luo, Huimin; Meyer, III, Harry M.; Leonard, Donovan N.; Landauer, Alexander K.; Kheireddin, Bassem; Gao, Hong; Papke, Brian L; Dai, Sheng

    2015-07-14

    Unique synergistic effects between phosphonium-alkylphosphate ionic liquids and zinc dialkyldithiophosphate (ZDDP) are discovered when used together as lubricant additives, resulting in significant friction and wear reduction along with distinct tribofilm composition and mechanical properties. The synergism is attributed to the 30-70× higher-than-nominal concentrations of hypothetical new compounds (via anion exchange between IL and ZDDP) on the fluid surface/interface.

  12. Li-rich anti-perovskite Li3OCl films with enhanced ionic conductivity

    SciTech Connect

    Lu, XJ; Wu, G; Howard, JW; Chen, AP; Zhao, YS; Daemen, LL; Jia, QX

    2014-08-13

    Anti-perovskite solid electrolyte films were prepared by pulsed laser deposition, and their room-temperature ionic conductivity can be improved by more than an order of magnitude in comparison with its bulk counterpart. The cyclability of Li3OCl films in contact with lithium was evaluated using a Li/Li3OCl/Li symmetric cell, showing self-stabilization during cycling test.

  13. Synergistic Effects Between Phosphonium-Alkylphosphate Ionic Liquids and Zinc Dialkyldithiophosphate (ZDDP) as Lubricant Additives

    DOE PAGES [OSTI]

    Qu, Jun; Barnhill, William C.; Luo, Huimin; Meyer, III, Harry M.; Leonard, Donovan N.; Landauer, Alexander K.; Kheireddin, Bassem; Gao, Hong; Papke, Brian L; Dai, Sheng

    2015-07-14

    Unique synergistic effects between phosphonium-alkylphosphate ionic liquids and zinc dialkyldithiophosphate (ZDDP) are discovered when used together as lubricant additives, resulting in significant friction and wear reduction along with distinct tribofilm composition and mechanical properties. The synergism is attributed to the 30-70 higher-than-nominal concentrations of hypothetical new compounds (via anion exchange between IL and ZDDP) on the fluid surface/interface.

  14. Electron Solvation Dynamics and Reactivity in Ionic Liquids Observed by Picosecond RadiolysisTechniques

    SciTech Connect

    Wishart J. F.; Funston, A.M.; Szreder, T.; Cook, A.R.; Gohdo, M.

    2012-01-01

    On time scales of a nanosecond or less, radiolytically-generated excess electrons in ionic liquids undergo solvation processes and reactions that determine all subsequent chemistry and the accumulation of radiolytic damage. Using picosecond pulse radiolysis detection methods, we observed and quantified the solvation response of the electron in 1-methyl-1-butyl-pyrrolidinium bis(trifluoromethylsulfonyl)amide and used it to understand electron scavenging by a typical solute, duroquinone.

  15. An Ionic Liquid Reaction and Separation Process for Production of Hydroxymethylfurfural from Sugars

    SciTech Connect

    Liu, Wei; Zheng, Feng; Li, Joanne; Cooper, Alan R.

    2014-01-01

    There has been world-wide interest to making plastics out of renewable biomass feedstock for recent years. Hydroxymethylfurfural (HMF) is viewed as an attractive alternate to terephthalic acid (TPA) for production of polyesters (PET) and polyamides. Conversion of sugars into HMF has been studied in numerous publications. In this work, a complete ionic liquid reaction and separation process is presented for nearly stoichiometric conversion of fructose into HMF. Different adsorbent materials are evaluated and silicalite material is demonstrated effective for isolation of 99% pure HMF from actual ionic liquid reaction mixtures and for recovery of the un-converted sugars and reaction intermediate along with the ionic liquid. Membrane-coated silicalite particles are prepared and studied for a practical adsorption process operated at low pressure drops but with separation performances comparable or better than the powder material. Complete conversion of fresh fructose feed into HMF in the recycled ionic liquid is shown under suitable reaction conditions. Stability of HMF product is characterized. A simplified process flow diagram is proposed based on these research results, and the key equipment such as reactor and adsorbent bed is sized for a plant of 200,000 ton/year of fructose processing capacity. The proposed HMF production process is much simpler than the current paraxylene (PX) manufacturing process from petroleum oil, which suggests substantial reduction to the capital cost and energy consumption be possible. At the equivalent value to PX on the molar basis, there can be a large gross margin for HMF production from fructose and/or sugars.

  16. Involatile Protic Electrolytes and Ionic Acids for Fuel Cells and other

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Applications - Energy Innovation Portal Find More Like This Return to Search Involatile Protic Electrolytes and Ionic Acids for Fuel Cells and other Applications DOE Grant Recipients Arizona Technology Enterprises Contact Arizona Technology Enterprises About This Technology Technology Marketing SummaryCurrently, there is a surge in interest in fuel cell research, as companies across the globe race to take advantage of the high energy capacity that fuel cells provide in comparison to other

  17. Properties of some ionic liquids based on1-methyl-3-octylimidazolium and 4-methyl-N-butylpyridinium cations.

    SciTech Connect

    Papaiconomou, Nicolas; Yakelis, Neal; Salminen, Justin; Bergman,Robert; Prausnitz, John M.

    2005-09-29

    Syntheses are reported for ionic liquids containing 1-methyl-3octylimidazolium and 4-methyl-N-butylpyridinium cations, and trifluoromethansulfonate, dicyanamide, bis(trifluoromethylsulfonyl)imide, and nonafluorobutanesulfonate anions. Densities, melting points and glass transition points, solubility in water as well as polarities have been measured. Ionic liquids based on pyridinium cations exhibit higher melting points, lower solubility in water, and higher polarity than those based on imidazolium cations.

  18. Solubilities of Solutes in Ionic Liquids from a SimplePerturbed-Hard-Sphere Theory

    SciTech Connect

    Qin, Yuan; Prausnitz, John M.

    2005-09-20

    In recent years, several publications have provided solubilities of ordinary gases and liquids in ionic liquids. This work reports an initial attempt to correlate the experimental data using a perturbed-hard-sphere theory; the perturbation is based on well-known molecular physics when the solution is considered as a dielectric continuum. For this correlation, the most important input parameters are hard-sphere diameters of the solute and of the cation and anion that constitute the ionic liquid. In addition, the correlation uses the solvent density and the solute's polarizability and dipole and quadrupole moments, if any. Dispersion-energy parameters are obtained from global correlation of solubility data. Results are given for twenty solutes in several ionic liquids at normal temperatures; in addition, some results are given for gases in two molten salts at very high temperatures. Because the theory used here is much simplified, and because experimental uncertainties (especially for gaseous solutes) are often large, the accuracy of the correlation presented here is not high; in general, predicted solubilities (Henry's constants) agree with experiment to within roughly {+-} 70%. As more reliable experimental data become available, modifications in the characterizing parameters are likely to improve accuracy. Nevertheless, even in its present form, the correlation may be useful for solvent screening in engineering design.

  19. Mesophase stabilization in ionic liquid crystals through pairing equally shaped mesogenic cations and anions

    SciTech Connect

    Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja -Verena

    2015-07-23

    The synthesis and properties of a set of novel ionic liquid crystals with congruently shaped cations and anions are reported to check whether pairing mesogenic cations with mesogenic anions leads to a stabilization of a liquid crystalline phase. To that avail 1-alkyl-3-methyl-triazolium cations with an alkyl chain length of 10, 12, and 14 carbon atoms have been combined with p-alkyloxy-benzenesulfonate anions with different alkyl chain lengths (n = 10, 12, and 14). The corresponding triazolium iodides have been synthesized as reference compounds where the cation and anion have strong size and shape mismatch. The mesomorphic behavior of all compounds is studied by differential scanning calorimetry and polarizing optical microscopy. All compounds except 1-methyl-3-decyltriazolium iodide, which qualifies as an ionic liquid, are thermotropic ionic liquid crystals. All other compounds adopt smectic A phases. As a result, a comparison of the thermal phase behavior of the 1-methyl-3-decyltriazolium bromides to the corresponding p-alkoxy-benzensulfonates reveals that definitely the mesophase is stabilized by pairing the rod-shaped 1-alkyl-3-methyltriazolium cation with a rod-like anion of similar size.

  20. Method for estimating ionicities of oxides using O1s photoelectron spectra

    SciTech Connect

    Wu, L. Q.; Li, Z. Z.; Tang, G. D. Qi, W. H.; Xue, L. C.; Ge, X. S.; Ding, L. L.; Li, Y. C.; Li, S. Q.

    2015-09-15

    The average valence, V{sub alO}, of the oxygen anions in the perovskite oxide BaTiO{sub 3}, was found using O1s photoelectron spectra to be −1.55. This experimental result is close to the theoretical value for BaTiO{sub 3} (−1.63) calculated by Cohen [Nature 358, 136 (1992)] using density functional theory. Using the same approach, we obtained values of V{sub alO} for several monoxides, and investigated the dependence of V{sub alO} and the ionicity on the second ionization energy, V(M{sup 2+}), of the metal cation. We found that the dependence of the ionicity on V(M{sup 2+}) in this work is close to that reported by Phillips [Rev. Mod. Phys. 42, 317 (1970)]. We therefore suggest that O1s photoelectron spectrum measurements should be accepted as a general experimental method for estimating the ionicity and average valence of oxygen anions.

  1. Mesophase stabilization in ionic liquid crystals through pairing equally shaped mesogenic cations and anions

    DOE PAGES [OSTI]

    Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja -Verena

    2015-07-23

    The synthesis and properties of a set of novel ionic liquid crystals with congruently shaped cations and anions are reported to check whether pairing mesogenic cations with mesogenic anions leads to a stabilization of a liquid crystalline phase. To that avail 1-alkyl-3-methyl-triazolium cations with an alkyl chain length of 10, 12, and 14 carbon atoms have been combined with p-alkyloxy-benzenesulfonate anions with different alkyl chain lengths (n = 10, 12, and 14). The corresponding triazolium iodides have been synthesized as reference compounds where the cation and anion have strong size and shape mismatch. The mesomorphic behavior of all compounds ismore » studied by differential scanning calorimetry and polarizing optical microscopy. All compounds except 1-methyl-3-decyltriazolium iodide, which qualifies as an ionic liquid, are thermotropic ionic liquid crystals. All other compounds adopt smectic A phases. As a result, a comparison of the thermal phase behavior of the 1-methyl-3-decyltriazolium bromides to the corresponding p-alkoxy-benzensulfonates reveals that definitely the mesophase is stabilized by pairing the rod-shaped 1-alkyl-3-methyltriazolium cation with a rod-like anion of similar size.« less

  2. EPAct Transportation Regulatory Activities

    SciTech Connect

    2011-11-21

    The U.S. Department of Energy's (DOE) Vehicle Technologies Program manages several transportation regulatory activities established by the Energy Policy Act of 1992 (EPAct), as amended by the Energy Conservation Reauthorization Act of 1998, EPAct 2005, and the Energy Independence and Security Act of 2007 (EISA).

  3. Storing and transporting energy

    DOEpatents

    McClaine, Andrew W.; Brown, Kenneth

    2010-09-07

    Among other things, hydrogen is released from water at a first location using energy from a first energy source; the released hydrogen is stored in a metal hydride slurry; and the metal hydride slurry is transported to a second location remote from the first location.

  4. Artificial oxygen transport protein

    DOEpatents

    Dutton, P. Leslie

    2014-09-30

    This invention provides heme-containing peptides capable of binding molecular oxygen at room temperature. These compounds may be useful in the absorption of molecular oxygen from molecular oxygen-containing atmospheres. Also included in the invention are methods for treating an oxygen transport deficiency in a mammal.

  5. NREL: Transportation Research - Webmaster

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Webmaster Please enter your name and email address in the boxes provided, then type your message below. When you are finished, click "Send Message." NOTE: If you enter your e-mail address incorrectly, we will be unable to reply. Your name: Your email address: Your message: Send Message Printable Version Transportation Research Home Capabilities Projects

  6. Mass Transport within Soils

    SciTech Connect

    McKone, Thomas E.

    2009-03-01

    Contaminants in soil can impact human health and the environment through a complex web of interactions. Soils exist where the atmosphere, hydrosphere, geosphere, and biosphere converge. Soil is the thin outer zone of the earth's crust that supports rooted plants and is the product of climate and living organisms acting on rock. A true soil is a mixture of air, water, mineral, and organic components. The relative proportions of these components determine the value of the soil for agricultural and for other human uses. These proportions also determine, to a large extent, how a substance added to soil is transported and/or transformed within the soil (Spositio, 2004). In mass-balance models, soil compartments play a major role, functioning both as reservoirs and as the principal media for transport among air, vegetation, surface water, deeper soil, and ground water (Mackay, 2001). Quantifying the mass transport of chemicals within soil and between soil and atmosphere is important for understanding the role soil plays in controlling fate, transport, and exposure to multimedia pollutants. Soils are characteristically heterogeneous. A trench dug into soil typically reveals several horizontal layers having different colors and textures. As illustrated in Figure 1, these multiple layers are often divided into three major horizons: (1) the A horizon, which encompasses the root zone and contains a high concentration of organic matter; (2) the B horizon, which is unsaturated, lies below the roots of most plants, and contains a much lower organic carbon content; and (3) the C horizon, which is the unsaturated zone of weathered parent rock consisting of bedrock, alluvial material, glacial material, and/or soil of an earlier geological period. Below these three horizons lies the saturated zone - a zone that encompasses the area below ground surface in which all interconnected openings within the geologic media are completely filled with water. Similarly to the unsaturated zone

  7. Fuel cell water transport

    DOEpatents

    Vanderborgh, Nicholas E.; Hedstrom, James C.

    1990-01-01

    The moisture content and temperature of hydrogen and oxygen gases is regulated throughout traverse of the gases in a fuel cell incorporating a solid polymer membrane. At least one of the gases traverses a first flow field adjacent the solid polymer membrane, where chemical reactions occur to generate an electrical current. A second flow field is located sequential with the first flow field and incorporates a membrane for effective water transport. A control fluid is then circulated adjacent the second membrane on the face opposite the fuel cell gas wherein moisture is either transported from the control fluid to humidify a fuel gas, e.g., hydrogen, or to the control fluid to prevent excess water buildup in the oxidizer gas, e.g., oxygen. Evaporation of water into the control gas and the control gas temperature act to control the fuel cell gas temperatures throughout the traverse of the fuel cell by the gases.

  8. Saturated Zone Colloid Transport

    SciTech Connect

    H. Viswanathan; P. Reimus

    2003-09-05

    Colloid retardation is influenced by the attachment and detachment of colloids from immobile surfaces. This analysis demonstrates the development of parameters necessary to estimate attachment and detachment of colloids and, hence, retardation in both fractured tuff and porous alluvium. Field and experimental data specific to fractured tuff are used for the analysis of colloid retardation in fractured tuff. Experimental data specific to colloid transport in alluvial material from Yucca Mountain as well as bacteriophage field studies in alluvial material, which are thought to be good analogs for colloid transport, are used to estimate attachment and detachment of colloids in the alluvial material. There are no alternative scientific approaches or technical methods for calculating these retardation factors.

  9. FAA Smoke Transport Code

    Energy Science and Technology Software Center

    2006-10-27

    FAA Smoke Transport Code, a physics-based Computational Fluid Dynamics tool, which couples heat, mass, and momentum transfer, has been developed to provide information on smoke transport in cargo compartments with various geometries and flight conditions. The software package contains a graphical user interface for specification of geometry and boundary conditions, analysis module for solving the governing equations, and a post-processing tool. The current code was produced by making substantial improvements and additions to a codemore » obtained from a university. The original code was able to compute steady, uniform, isothermal turbulent pressurization. In addition, a preprocessor and postprocessor were added to arrive at the current software package.« less

  10. Transportation and the marketplace

    SciTech Connect

    Soeoet, S.

    1996-12-31

    In the Chicago six-county metropolitan area, the number of registered vehicles grew by over 800,000 vehicles in the 1980s; by contrast the population increased by just over 150,000 during the same time. This ratio of growth in automobiles versus population (five to one) has contributed to overall increases in travel, congestion and energy use. The objective of this report is to examine how and why this has occurred and what we might expect in the near future to address the growing traffic problems and energy use. Specifically, the focus is on energy use by household vehicles and other forms of passenger travel. Data on population trends, gasoline prices, commuting and transit use, and transportation energy use are presented and interpreted. Intelligent transportation systems and decreased single vehicle emissions are briefly described as methods to decrease congestion and pollution. 9 figs., 2 tabs.

  11. The cost of transportation`s oil dependence

    SciTech Connect

    Greene, D.L.

    1995-05-01

    Transportation is critical to the world`s oil dependence problem because of the large share of world oil it consumes and because of its intense dependence on oil. This paper will focus on the economic costs of transportation`s oil dependence.

  12. An improved thermodynamic model for the complexation of trivalent actinides and lanthanide with oxalic acid valid to high ionic strength.

    SciTech Connect

    Xiong, Yongliang; Thakur, Punam; Borkowski, Marian

    2015-07-30

    actinides and early lanthanides to ionic strength of 6.60 m in low temperature environments in the presence of Ox. Furthermore, the work is also applicable to the accurate modeling transport of rare earth elements in various environments under the surface conditions.

  13. Heat transport system

    DOEpatents

    Pierce, Bill L.

    1978-01-01

    A heat transport system of small size which can be operated in any orientation consists of a coolant loop containing a vaporizable liquid as working fluid and includes in series a vaporizer, a condenser and two one-way valves and a pressurizer connected to the loop between the two valves. The pressurizer may be divided into two chambers by a flexible diaphragm, an inert gas in one chamber acting as a pneumatic spring for the system.

  14. Transportation of medical isotopes

    SciTech Connect

    Nielsen, D.L.

    1997-11-19

    A Draft Technical Information Document (HNF-1855) is being prepared to evaluate proposed interim tritium and medical isotope production at the Fast Flux Test Facility (FFTF). This assessment examines the potential health and safety impacts of transportation operations associated with the production of medical isotopes. Incident-free and accidental impacts are assessed using bounding source terms for the shipment of nonradiological target materials to the Hanford Site, the shipment of irradiated targets from the FFTF to the 325 Building, and the shipment of medical isotope products from the 325 Building to medical distributors. The health and safety consequences to workers and the public from the incident-free transportation of targets and isotope products would be within acceptable levels. For transportation accidents, risks to works and the public also would be within acceptable levels. This assessment is based on best information available at this time. As the medical isotope program matures, this analysis will be revised, if necessary, to support development of a final revision to the Technical Information Document.

  15. Ozone transport commission developments

    SciTech Connect

    Joyce, K.M.

    1995-08-01

    On September 27, 1994, the states of the Ozone Transport Commission (OTC) signed an important memorandum of understanding (MOU) agreeing to develop a regional strategy for controlling stationary sources of nitrogen oxide emissions. Specifically, the states of the Ozone Transport Region, OTR, agreed to propose regulations for the control of NOx emissions from boilers and other indirect heat exchangers with a maximum gross heat input rate of at least 250 million BTU per hour. The Ozone Transport Region was divided into Inner, Outer and Northern Zones. States in the Outer Zone agreed to reduce NOx emissions by 55%. States in the Inner Zone agreed to reduce NOx emissions 65%. Facilities in both zones have the option to emit NOx at a rate no greater than 0.2 pounds per million Btu by May 1, 1999. This option provides fairness for the gas-fired plants which already have relatively low NOx emissions. Additionally, States in the Inner and Outer Zones agreed to reduce their NOx emissions by 75% or to emit NOx at a rate no greater than 0.15 pounds per million BTU by May 1, 2003. The Northern Zone States agree to reduce their rate of NOx emissions by 55% from base year levels by May 1, 2003, or to emit NOx at a rate no greater than 0.2 pounds per million BTU. As part of this MOU, States also agreed to develop a regionwide trading mechanism to provide a cost-effective mechanism for implementing the reductions.

  16. transportation | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    transportation | National Nuclear Security Administration Facebook Twitter Youtube Flickr RSS People Mission Managing the Stockpile Preventing Proliferation Powering the Nuclear...

  17. the-transportation-research-board

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    January 22-26, 2012 The Transportation Research Board (TRB) 91st Annual Meeting will be held in Washington, D.C. at the Washington Marriott Wardman Park, Omni Shoreham, and Washington Hilton hotels. The information-packed program will attract more than 11,000 transportation professionals from around the world to Washington, D.C., January 22-26, 2012. The Transportation Research and Analysis Computing Center (TRACC) team will showcase current projects at the upcoming Transportation Research Board

  18. ADVANCED CUTTINGS TRANSPORT STUDY

    SciTech Connect

    Stefan Miska; Troy Reed; Ergun Kuru

    2004-09-30

    The Advanced Cuttings Transport Study (ACTS) was a 5-year JIP project undertaken at the University of Tulsa (TU). The project was sponsored by the U.S. Department of Energy (DOE) and JIP member companies. The objectives of the project were: (1) to develop and construct a new research facility that would allow three-phase (gas, liquid and cuttings) flow experiments under ambient and EPET (elevated pressure and temperature) conditions, and at different angle of inclinations and drill pipe rotation speeds; (2) to conduct experiments and develop a data base for the industry and academia; and (3) to develop mechanistic models for optimization of drilling hydraulics and cuttings transport. This project consisted of research studies, flow loop construction and instrumentation development. Following a one-year period for basic flow loop construction, a proposal was submitted by TU to the DOE for a five-year project that was organized in such a manner as to provide a logical progression of research experiments as well as additions to the basic flow loop. The flow loop additions and improvements included: (1) elevated temperature capability; (2) two-phase (gas and liquid, foam etc.) capability; (3) cuttings injection and removal system; (4) drill pipe rotation system; and (5) drilling section elevation system. In parallel with the flow loop construction, hydraulics and cuttings transport studies were preformed using drilling foams and aerated muds. In addition, hydraulics and rheology of synthetic drilling fluids were investigated. The studies were performed under ambient and EPET conditions. The effects of temperature and pressure on the hydraulics and cuttings transport were investigated. Mechanistic models were developed to predict frictional pressure loss and cuttings transport in horizontal and near-horizontal configurations. Model predictions were compared with the measured data. Predominantly, model predictions show satisfactory agreements with the measured data. As a

  19. Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics

    SciTech Connect

    Yu, Jianguo; Bai, Xian -Ming; El-Azab, Anter; Allen, Todd R.

    2015-03-05

    In this study, oxygen transport is central to many properties of oxides such as stoichiometric changes, phase transformation and ionic conductivity. In this paper, we report a mechanism for oxygen transport in uranium dioxide (UO2) in which the kinetics is mediated by defect clustering dynamics. In particular, the kinetic Monte Carlo (KMC) method has been used to investigate the kinetics of oxygen transport in UO2 under the condition of creation and annihilation of oxygen vacancies and interstitials as well as oxygen interstitial clustering, with variable offstoichiometry and temperature conditions. It is found that in hypo-stoichiometric UO2-x, oxygen transport is well described by the vacancy diffusion mechanism while in hyper-stoichiometric UO2+x, oxygen interstitial cluster diffusion contributes significantly to oxygen transport kinetics, particularly at high temperatures and high off-stoichiometry levels. It is also found that diinterstitial clusters and single interstitials play dominant roles in oxygen diffusion while other larger clusters have negligible contributions. However, the formation, coalescence and dissociation of these larger clusters indirectly affects the overall oxygen diffusion due to their interactions with mono and di-interstitials, thus providing a explanation of the experimental observation of saturation or even drop of oxygen diffusivity at high off-stoichiometry.

  20. Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics

    SciTech Connect

    Yu, Jianguo Bai, Xian-Ming; El-Azab, Anter; Allen, Todd R.

    2015-03-07

    Oxygen transport is central to many properties of oxides such as stoichiometric changes, phase transformation, and ionic conductivity. In this paper, we report a mechanism for oxygen transport in uranium dioxide (UO{sub 2}) in which the kinetics is mediated by defect clustering dynamics. In particular, the kinetic Monte Carlo method has been used to investigate the kinetics of oxygen transport in UO{sub 2} under the condition of creation and annihilation of oxygen vacancies and interstitials as well as oxygen interstitial clustering, with variable off-stoichiometry and temperature conditions. It is found that in hypo-stoichiometric UO{sub 2?x}, oxygen transport is well described by the vacancy diffusion mechanism while in hyper-stoichiometric UO{sub 2+x}, oxygen interstitial cluster diffusion contributes significantly to oxygen transport kinetics, particularly at high temperatures and high off-stoichiometry levels. It is also found that di-interstitial clusters and single interstitials play dominant roles in oxygen diffusion while other larger clusters have negligible contributions. However, the formation, coalescence, and dissociation of these larger clusters indirectly affects the overall oxygen diffusion due to their interactions with mono and di-interstitials, thus providing an explanation of the experimental observation of saturation or even drop of oxygen diffusivity at high off-stoichiometry.

  1. Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics

    DOE PAGES [OSTI]

    Yu, Jianguo; Bai, Xian -Ming; El-Azab, Anter; Allen, Todd R.

    2015-03-05

    In this study, oxygen transport is central to many properties of oxides such as stoichiometric changes, phase transformation and ionic conductivity. In this paper, we report a mechanism for oxygen transport in uranium dioxide (UO2) in which the kinetics is mediated by defect clustering dynamics. In particular, the kinetic Monte Carlo (KMC) method has been used to investigate the kinetics of oxygen transport in UO2 under the condition of creation and annihilation of oxygen vacancies and interstitials as well as oxygen interstitial clustering, with variable offstoichiometry and temperature conditions. It is found that in hypo-stoichiometric UO2-x, oxygen transport is wellmore » described by the vacancy diffusion mechanism while in hyper-stoichiometric UO2+x, oxygen interstitial cluster diffusion contributes significantly to oxygen transport kinetics, particularly at high temperatures and high off-stoichiometry levels. It is also found that diinterstitial clusters and single interstitials play dominant roles in oxygen diffusion while other larger clusters have negligible contributions. However, the formation, coalescence and dissociation of these larger clusters indirectly affects the overall oxygen diffusion due to their interactions with mono and di-interstitials, thus providing a explanation of the experimental observation of saturation or even drop of oxygen diffusivity at high off-stoichiometry.« less

  2. Ionic Liquids: Breakthrough Absorption Technology for Post-Combustion CO{sub 2} Capture

    SciTech Connect

    Maginn, Edward

    2012-09-30

    This is the final report for DE-FC26-07NT43091 Ionic Liquids: Breakthrough Absorption Technology for Post-Combustion CO{sub 2} Capture. A detailed summary is provided of the ionic liquid (IL) discovery process, synthesis and testing results, process / systems modeling, lab-scale operational testing, corrosion testing and commercialization possibilities. The work resulted in the discovery of a new class of ionic liquids (ILs) that efficiently react with CO{sub 2} in a 1:1 stoichiometry with no water present and no increase in viscosity. The enthalpy of reaction was tuned to optimize process economics. The IL was found to have excellent corrosion behavior with and without CO{sub 2} present. In lab-scale tests, the IL was able to effectively remove CO{sub 2} from a simulated flue gas stream, although mass transfer was slower than with aqueous monoethanolamine (MEA) due to higher viscosities. The non-volatile nature of the solvent and its high thermal stability, however, make it an intriguing option. An independent systems analysis indicates that the economics of using the best IL discovered to date (NDIL0157), are at least comparable to and potentially slightly better than - the Fluor Econamine FG PlusTM process (DOE Case 12). Further work should be directed at improving mass transfer / lowering viscosity and developing commercial synthesis routes to make these ILs at scale in an inexpensive manner. Demonstration of the process at larger scales is also warranted, as is the exploration of other process configurations that leverage the anhydrous nature of the solvent and its extremely low volatility.

  3. Effect of ionic conductivity of zirconia electrolytes on polarization properties of various electrodes in SOFC

    SciTech Connect

    Watanabe, Masahiro; Uchida, Hiroyuki; Yoshida, Manabu

    1996-12-31

    Solid oxide fuel cells (SOFCs) have been intensively investigated because, in principle, their energy conversion efficiency is fairly high. Lowering the operating temperature of SOFCs from 1000{degrees}C to around 800{degrees}C is desirable for reducing serious problems such as physical and chemical degradation of the constructing materials. The object of a series of the studies is to find a clue for achieving higher electrode performances at a low operating temperature than those of the present level. Although the polarization loss at electrodes can be reduced by using mixed-conducting ceria electrolytes, or introducing the mixed-conducting (reduced zirconia or ceria) laver on the conventional zirconia electrolyte surface, no reports are available on the effect of such an ionic conductivity of electrolytes on electrode polarizations. High ionic conductivity of the electrolyte, of course, reduces the ohmic loss. However, we have found that the IR-free polarization of a platinum anode attached to zirconia electrolytes is greatly influenced by the ionic conductivity, {sigma}{sub ion}, of the electrolytes used. The higher the {sigma}{sub ion}, the higher the exchange current density, j{sub 0}, for the Pt anode in H{sub 2} at 800 {approximately} 1000{degrees}C. It was indicated that the H{sub 2} oxidation reaction rate was controlled by the supply rate of oxide ions through the Pt/zirconia interface which is proportional to the {sigma}{sub ion}. Recently, we have proposed a new concept of the catalyzed-reaction layers which realizes both high-performances of anodes and cathodes for medium-temperature operating SOFCs. We present the interesting dependence of the polarization properties of various electrodes (the SDC anodes with and without Ru microcatalysts, Pt cathode, La(Sr)MnO{sub 3} cathodes with and without Pt microcatalysts) on the {sigma}{sub ion} of various zirconia electrolytes at 800 {approximately} 1000{degrees}C.

  4. Synthesis and characterization of ionic liquid (EMImBF{sub 4})/Li{sup +} - chitosan membranes for ion battery

    SciTech Connect

    Pasaribu, Marvin H. Arcana, I Made Wahyuningrum, Deana

    2015-09-30

    Lithium ion battery has been currently developed and produced because it has a longer life time, high energycapacity, and the efficient use of lithium ion battery that is suitable for storing electrical energy. However, this battery has some drawbacks such as use liquid electrolytes that are prone to leakage and flammability during the battery charging process in high temperature. In this study, an ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate (EMImBF4) containing Li{sup +} ions was synthesized and combined with chitosan polymer host as a polymer electrolyte membrane for lithium-ion batteries to solve this problems. This ionic liquid was obtained from the anion metathesis reaction between EMImBr and LiBF4 salt, while EMImBr was synthesized from the reaction between 1-methylimidazole and ethyl bromide utilizing Microwave Assisted Organic Synthesis (MAOS) method. The ionic liquid obtained was characterized by microstructure analysis with using NMR and FTIR spectroscopy. The polymer electrolyte membrane was characterized by analysis functional groups (FTIR), ionic conductivity (EIS), and surface morphology (SEM). The analysis results of ion conductivity by the EIS method showed the increase the ionic conductivity value of membranes from 1.30 × 10{sup −2} S cm{sup −1} for chitosan to 1.30 × 10{sup −2} S cm{sup −1} for chitosan with EMImBF4/Li{sup +}, and this result was supported by analysis the surface morphology (SEM)

  5. Transportation Storage Interface | Department of Energy

    Office of Environmental Management (EM)

    Storage Interface Transportation Storage Interface Regulation of Future Extended Storage and Transportation. Transportation Storage Interface (891.2 KB) More Documents & ...

  6. Financing Sustainable Urban Transport | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Transport Toolkit Region(s): Global Related Tools Production Costs of Alternative Transportation Fuels Transport Regulation from Theory to Practice: General...

  7. National Transportation Stakeholders Forum (NTSF) | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    National Transportation Stakeholders Forum (NTSF) National Transportation Stakeholders Forum (NTSF) National Transportation Stakeholders Forum (NTSF) The U.S. Department of Energy ...

  8. Ecolane Transport Conultancy | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Ecolane Transport Conultancy Jump to: navigation, search Name: Ecolane Transport Conultancy Place: Bristol, United Kingdom Zip: BS3 4UB Product: UK-based sustainable transport...

  9. The World Bank - Transport | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    provides relevant information about transport, focusing on The World Bank Transport Strategy - Safe, Clean and Affordable - Transport for Development. The website includes...

  10. Waste Isolation Pilot Plant Transportation Security | Department...

    Office of Environmental Management (EM)

    Transportation Security Waste Isolation Pilot Plant Transportation Security Waste Isolation Pilot Plant Transportation Security (2.41 MB) More Documents & Publications Enterprise ...

  11. Texas Department of Transportation | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Texas Department of Transportation Jump to: navigation, search Logo: Texas Department of Transportation Name: Texas Department of Transportation Abbreviation: TxDOT Place: Austin,...

  12. VTPI-Transportation Statistics | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Area: Transportation Resource Type: Dataset Website: www.vtpi.orgtdmtdm80.htm Cost: Free VTPI-Transportation Statistics Screenshot References: VTPI-Transportation Statistics1...

  13. In-Situ XANES and EXAFS Analysis of Redox Active Fe Center Ionic Liquids -

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Joint Center for Energy Storage Research December 10, 2015, Research Highlights In-Situ XANES and EXAFS Analysis of Redox Active Fe Center Ionic Liquids (Top Left) Cyclic Voltammagram of Fe((OHCH2CH2)2NH)6-(CF3SO3)3 in disk electrode (solid) and in in-situ redox XANES cell (dashed). (Top Right) XANES spectra showing IL in fully oxidized and fully reduced states, showing change in Fe Kα edge on oxidation state change (Bottom) EXAFS data showing position of fully oxidized (Fe+3) state of IL,

  14. Breakdown of ionic character of molecular alkali bromides in inner-valence photoionization

    SciTech Connect

    Karpenko, A. Iablonskyi, D.; Kettunen, J. A.; Cao, W.; Huttula, M.; Aksela, H.; Urpelainen, S.

    2014-05-28

    The inner-valence region of alkali bromide XBr (X=Li, Na, K, Rb) vapours has been studied experimentally by means of synchrotron radiation excited photoelectron spectroscopy. Experimental spectra were analyzed by comparing them with available theoretical results and previous experiments. Ionic character of alkali bromides is seen to change in the inner-valence region with increasing atomic number of the alkali atom. A mechanism involving mixing between Br 4s and Rb 4p orbitals has been suggested to account for the fine structure observed in inner-valence ionization region of RbBr.

  15. THERMOPHYSICAL PROPERTIES OF NANOPARTICLE-ENHANCED IONIC LIQUIDS HEAT TRANSFER FLUIDS

    SciTech Connect

    Fox, E.

    2013-04-15

    An experimental investigation was completed on nanoparticle enhanced ionic liquid heat transfer fluids as an alternative to conventional organic based heat transfer fluids (HTFs). These nanoparticle-based HTFs have the potential to deliver higher thermal conductivity than the base fluid without a significant increase in viscosity at elevated temperatures. The effect of nanoparticle morphology and chemistry on thermophysical properties was examined. Whisker shaped nanomaterials were found to have the largest thermal conductivity temperature dependence and were also less likely to agglomerate in the base fluid than spherical shaped nanomaterials.

  16. Variation of stability constants of thorium and uranium oxalate complexes with ionic strength

    SciTech Connect

    Erten, H.N; Mohammed, A.K.; Choppin, G.R.

    1993-12-31

    Extraction of Th(IV) and UO{sub 2}{sup 2+} by a solution of TTA and HDEHP, respectively, in toluene was used to obtain stability constants of their oxalate complexes in 1, 3, 5, 7 and 9 M ionic strength (NaClO{sub 2}) solutions. The complexes formed were the MOx, MHOx, MOx{sub 2} and M(HOx){sub 2} (M = Th, UO{sub 2}) species. The values were analyzed by the Specific Interaction Theory and agreed to I {le} 3 M but required an additional term for fitting at I > 3 M.

  17. Formulation of ionic liquid electrolyte to expand the voltage window of supercapacitors

    SciTech Connect

    Van Aken, Katherine L.; Beidaghi, Majid; Gogotsi, Yury

    2015-03-18

    We report an effective method to expand the operating potential window (OPW) of electrochemical capacitors based on formulating the ionic liquid (IL) electrolytes. Moreover, using model electrochemical cells based on two identical onion like carbon (OLC) electrodes and two different IL electrolytes and their mixtures, it was shown that the asymmetric behavior of the electrolyte’s cation and anion toward the two electrodes limits the OPW of the cell and therefore its energy density. Additionally, a general solution to this problem is proposed by formulating the IL electrolyte mixtures to balance the capacitance of electrodes in a symmetric supercapacitor.

  18. ADVANCED CUTTINGS TRANSPORT STUDY

    SciTech Connect

    Stefan Miska; Nicholas Takach; Kaveh Ashenayi; Mengjiao Yu; Ramadan Ahmed; Mark Pickell; Len Volk; Lei Zhou; Zhu Chen; Aimee Washington; Crystal Redden

    2003-09-30

    The Quarter began with installing the new drill pipe, hooking up the new hydraulic power unit, completing the pipe rotation system (Task 4 has been completed), and making the SWACO choke operational. Detailed design and procurement work is proceeding on a system to elevate the drill-string section. The prototype Foam Generator Cell has been completed by Temco and delivered. Work is currently underway to calibrate the system. Literature review and preliminary model development for cuttings transportation with polymer foam under EPET conditions are in progress. Preparations for preliminary cuttings transport experiments with polymer foam have been completed. Two nuclear densitometers were re-calibrated. Drill pipe rotation system was tested up to 250 RPM. Water flow tests were conducted while rotating the drill pipe up to 100 RPM. The accuracy of weight measurements for cuttings in the annulus was evaluated. Additional modifications of the cuttings collection system are being considered in order to obtain the desired accurate measurement of cuttings weight in the annular test section. Cutting transport experiments with aerated fluids are being conducted at EPET, and analyses of the collected data are in progress. The printed circuit board is functioning with acceptable noise level to measure cuttings concentration at static condition using ultrasonic method. We were able to conduct several tests using a standard low pass filter to eliminate high frequency noise. We tested to verify that we can distinguish between different depths of sand in a static bed of sand. We tested with water, air and a mix of the two mediums. Major modifications to the DTF have almost been completed. A stop-flow cell is being designed for the DTF, the ACTF and Foam Generator/Viscometer which will allow us to capture bubble images without the need for ultra fast shutter speeds or microsecond flash system.

  19. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil Under Transient Conditions

    SciTech Connect

    Ryan, Joseph

    2015-01-31

    Rainfall experiments were conducted using intact soil cores and an instrumented soil pedon to examine the effect of physical heterogeneity and rainfall characteristics on the mobilization of colloids, organic matter, cesium, and strontium in a fractured soil. To measure the spatial variability of infiltration of colloids and contaminants, samples were collected through a 19-port grid placed below the soil core in laboratory study and in 27 samplers at multiple depths in the soil pedon in the field study. Cesium and strontium were applied to the soil cores and the soil pedon prior to mobilization experiments. Rainwater solutions of multiple ionic strengths and organic matter concentrations were applied to the soil cores and soil pedon to mobilize in situ colloids, cesium, and strontium. The mobilization of colloids and metal cations occurred through preferential flow paths in the soil cores. Compared to steady rainfall, greater amounts of colloids were mobilized during rainfall interrupted by pauses, which indicates that the supply of colloids to be mobilized was replenished during the pauses. A maximum in the amount of mobilized colloids were mobilized during a rainfall following a pause of 2.5 d. Pauses of shorter or longer duration resulted in less colloid mobilization. Freeze-thaw cycles, a transient condition in winter, enhanced colloid mobilization and colloid-facilitated transport of cesium and strontium in the soil cores. The exchange of solutes between the soil matrix and macropores caused a hysteretic mobilization of colloids, cesium, and strontium during changes in ionic strength. Colloid-facilitated mobilization of cesium and strontium was important at low ionic strength in fractures where slow flow allowed greater exchange of flow between the fractures and the surrounding matrix. The release of cesium and strontium by cation exchange occurred at high ionic strength in fractures where there is a little exchange of pore water with the surrounding matrix

  20. OXYGEN TRANSPORT CERAMIC MEMBRANES

    SciTech Connect

    Dr. Sukumar Bandopadhyay; Dr. Nagendra Nagabhushana

    2000-10-01

    This is the third quarterly report on oxygen Transport Ceramic Membranes. In the following, the report describes the progress made by our university partners in Tasks 1 through 6, experimental apparatus that was designed and built for various tasks of this project, thermodynamic calculations, where applicable and work planned for the future. (Task 1) Design, fabricate and evaluate ceramic to metal seals based on graded ceramic powder/metal braze joints. (Task 2) Evaluate the effect of defect configuration on ceramic membrane conductivity and long term chemical and structural stability. (Task 3) Determine materials mechanical properties under conditions of high temperatures and reactive atmospheres. (Task 4) Evaluate phase stability and thermal expansion of candidate perovskite membranes and develop techniques to support these materials on porous metal structures. (Task 5) Assess the microstructure of membrane materials to evaluate the effects of vacancy-impurity association, defect clusters, and vacancy-dopant association on the membrane performance and stability. (Task 6) Measure kinetics of oxygen uptake and transport in ceramic membrane materials under commercially relevant conditions using isotope labeling techniques.

  1. ADVANCED CUTTINGS TRANSPORT STUDY

    SciTech Connect

    Troy Reed; Stefan Miska; Nicholas Takach; Kaveh Ashenayi; Mark Pickell; Len Volk; Mike Volk; Lei Zhou; Zhu Chen; Crystal Redden; Aimee Washington

    2003-07-30

    This Quarter has been divided between running experiments and the installation of the drill-pipe rotation system. In addition, valves and piping were relocated, and three viewports were installed. Detailed design work is proceeding on a system to elevate the drill-string section. Design of the first prototype version of a Foam Generator has been finalized, and fabrication is underway. This will be used to determine the relationship between surface roughness and ''slip'' of foams at solid boundaries. Additional cups and rotors are being machined with different surface roughness. Some experiments on cuttings transport with aerated fluids have been conducted at EPET. Theoretical modeling of cuttings transport with aerated fluids is proceeding. The development of theoretical models to predict frictional pressure losses of flowing foam is in progress. The new board design for instrumentation to measure cuttings concentration is now functioning with an acceptable noise level. The ultrasonic sensors are stable up to 190 F. Static tests with sand in an annulus indicate that the system is able to distinguish between different sand concentrations. Viscometer tests with foam, generated by the Dynamic Test Facility (DTF), are continuing.

  2. High Cyclability of Ionic Liquid-Produced TiO2 Nanotube Arrays As an Anode Material for Lithium-Ion Batteries

    SciTech Connect

    Li, Huaqing; Martha, Surendra K; Unocic, Raymond R; Luo, Huimin; Dai, Sheng; Qu, Jun

    2012-01-01

    TiO{sub 2} nanotubes (NTs) are considered as a potential SEI-free anode material for Li-ion batteries to offer enhanced safety. Organic solutions, dominatingly ethylene glycol (EG)-based, have widely been used for synthesizing TiO{sub 2} NTs via anodization because of their ability to generate long tubes and well-aligned structures. However, it has been revealed that the EG-produced NTs are composited with carbonaceous decomposition products of EG, release of which during the tube crystallization process inevitably causes nano-scale porosity and cracks. These microstructural defects significantly deteriorate the NTs charge transport efficiency and mechanical strength/toughness. Here we report using ionic liquids (ILs) to anodize titanium to grow low-defect TiO{sub 2} NTs by reducing the electrolyte decomposition rate (less IR drop due to higher electrical conductivity) as well as the chance of the decomposition products mixing into the TiO{sub 2} matrix (organic cations repelled away). Promising electrochemical results have been achieved when using the IL-produced TiO{sub 2} NTs as an anode for Li-ion batteries. The ILNTs demonstrated excellent capacity retention without microstructural damage for nearly 1200 cycles of charge-discharge, while the NTs grown in a conventional EG solution totally pulverized in cycling, resulting in significant capacity fade.

  3. Quality Assurance Plan for Transportation Management Division Transportation Training Programs

    SciTech Connect

    Not Available

    1994-10-01

    The U.S. Department of Transportation (DOT) implemented new rules requiring minimum levels of training for certain key individuals who handle, package, transport, or otherwise prepare hazardous materials for transportation. In response to these rules, the U.S. Department of Energy (DOE), Transportation Management Division (TMD), has developed a transportation safety training program. This program supplies designed instructional methodology and course materials to provide basic levels of DOT training to personnel for whom training has become mandatory. In addition, this program provides advanced hazardous waste and radioactive material packaging and transportation training to help personnel achieve proficiency and/or certification as hazardous waste and radioactive material shippers. This training program does not include site-specific or task-specific training beyond DOT requirements.

  4. Resolving the mystery of transport within internal transport barriers

    SciTech Connect

    Staebler, G. M.; Belli, E. A.; Candy, J.; Waltz, R. E.; Greenfield, C. M.; Lao, L. L.; Smith, S. P.; Kinsey, J. E.; Grierson, B. A.; Chrystal, C.

    2014-05-15

    The Trapped Gyro-Landau Fluid (TGLF) quasi-linear model [G. M. Staebler, et al., Phys. Plasmas 12, 102508 (2005)], which is calibrated to nonlinear gyrokinetic turbulence simulations, is now able to predict the electron density, electron and ion temperatures, and ion toroidal rotation simultaneously for internal transport barrier (ITB) discharges. This is a strong validation of gyrokinetic theory of ITBs, requiring multiple instabilities responsible for transport in different channels at different scales. The mystery of transport inside the ITB is that momentum and particle transport is far above the predicted neoclassical levels in apparent contradiction with the expectation from the theory of suppression of turbulence by EB velocity shear. The success of TGLF in predicting ITB transport is due to the inclusion of ion gyro-radius scale modes that become dominant at high EB velocity shear and to improvements to TGLF that allow momentum transport from gyrokinetic turbulence to be faithfully modeled.

  5. NREL: Transportation Research - NPR Features Transportation and Hydrogen

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Systems Center Director Chris Gearhart NPR Features Transportation and Hydrogen Systems Center Director Chris Gearhart September 30, 2016 National Public Radio (NPR) recently featured the National Renewable Energy Laboratory's (NREL's) Chris Gearhart, director of NREL's Transportation and Hydrogen Systems Center, in an interview on the affordability of low-emission vehicles. "I come to work every day because I think that getting greenhouse gas emissions out of the transportation sector

  6. NREL: Transportation Research - Subscribe to the Transportation and

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Hydrogen Newsletter Subscribe to the Transportation and Hydrogen Newsletter To subscribe to or unsubscribe from the Transportation and Hydrogen Newsletter, complete one of the forms below. Subscribe To subscribe to the newsletter, submit your email address. Email: Submit Unsubscribe To unsubscribe from the newsletter, submit your email address. Email: Submit Printable Version Transportation Research Home Capabilities Projects Success Stories Facilities Working with Us Publications Data &

  7. Nanoscale lubrication of ionic surfaces controlled via a strong electric field

    DOE PAGES [OSTI]

    Strelcov, Evgheni; Bocharova, Vera; Sumpter, Bobby G.; Tselev, Alexander; Kalinin, Sergei V.; Kumar, Rajeev

    2015-01-27

    Frictional forces arise whenever objects around us are set in motion. Controlling them in a rational manner means gaining leverage over mechanical energy losses and wear. This paper presents a way of manipulating nanoscale friction by means of in situ lubrication and interfacial electrochemistry. Water lubricant is directionally condensed from the vapor phase at a moving metal-ionic crystal interface by a strong confined electric field, thereby allowing friction to be tuned up or down via an applied bias. The electric potential polarity and ionic solid solubility are shown to strongly influence friction between the atomic force microscope (AFM) tip andmore » salt surface. An increase in friction is associated with the AFM tip digging into the surface, whereas reducing friction does not influence its topography. No current flows during friction variation, which excludes Joule heating and associated electrical energy losses. Lastly, the demonstrated novel effect can be of significant technological importance for controlling friction in nano- and micro-electromechanical systems.« less

  8. Experimental determination of lead carbonate solubility at high ionic strengths: A Pitzer model description

    DOE PAGES [OSTI]

    Xiong, Yongliang

    2015-05-06

    In this article, solubility measurements of lead carbonate, PbCO3(cr), cerussite, as a function of total ionic strengths are conducted in the mixtures of NaCl and NaHCO3 up to I = 1.2 mol•kg–1 and in the mixtures of NaHCO3 and Na2CO3 up to I = 5.2 mol•kg–1, at room temperature (22.5 ± 0.5 °C). The solubility constant (log Ksp) for cerussite, PbCO3(cr) = Pb2+ + CO32- was determined as –13.76 ± 0.15 (2σ) with a set of Pitzer parameters describing the specific interactions of PbCO3(aq), Pb(CO3)22-, and Pb(CO3)Cl– with the bulk-supporting electrolytes, based on the Pitzer model. The model developed inmore » this work can reproduce the experimental results including model-independent solubility values from the literature over a wide range of ionic strengths with satisfactory accuracy. The model is expected to find applications in numerous fields, including the accurate description of chemical behavior of lead in geological repositories, the modeling of formation of oxidized Pb–Zn ore deposits, and the environmental remediation of lead contamination.« less

  9. Ionic liquid-assisted sonochemical preparation of CeO2 nanoparticles for CO oxidation

    DOE PAGES [OSTI]

    Alammar, Tarek; Noei, Heshmat; Wang, Yuemin; Grünert, Wolfgang; Mudring, Anja -Verena

    2014-10-10

    CeO2 nanoparticles were synthesized via a one-step ultrasound synthesis in different kinds of ionic liquids based on bis(trifluoromethanesulfonylamide, [Tf2N]–, in combination with various cations including 1-butyl-3-methylimidazolium ([C4mim]+), 1-ethyl-2,3-dimethylimidazolium ([Edimim]+), butyl-pyridinium([Py4]+), 1-butyl-1-methyl-pyrrolidinium ([Pyrr14]+), and 2-hydroxyethyl-trimethylammonium ([N1112OH]+). Depending on synthetic parameters, such as ionic liquid, Ce(IV) precursor, heating method, and precipitator, formed ceria exhibits different morphologies, varying from nanospheres, nanorods, nanoribbons, and nanoflowers. The morphology, crystallinity, and chemical composition of the obtained materials were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and N2 adsorption. The structural and electronic propertiesmore » of the as-prepared CeO2 samples were probed by CO adsorption using IR spectroscopy under ultrahigh vacuum conditions. The catalytic activities of CeO2 nanoparticles were investigated in the oxidation of CO. CeO2 nanospheres obtained sonochemically in [C4mim][Tf2N] exhibit the best performance for low-temperature CO oxidation. As a result, the superior catalytic performance of this material can be related to its mesoporous structure, small particle size, large surface area, and high number of surface oxygen vacancy sites.« less

  10. Reversible Ionic Liquids as Double-Action Solvents for Efficient CO{sub 2} Capture

    SciTech Connect

    Charles Eckert; Charles Liotta

    2011-09-30

    We have developed a novel class of CO{sub 2} capture solvents, Reversible Ionic Liquids (RevILs), that offer high absorption capacity through two modes of capture: chemical reaction (chemisorption) and physical solubility (physisorption). These solvents are silicon containing alkaline compounds such as silylamines that form a liquid salt (ionic liquid) upon reaction with CO{sub 2}. Subsequently, modest elevations in temperature reverse the reaction and yield pure CO{sub 2} for sequestration. By incorporating Si in the molecules we have reduced the viscosity, thereby improving the mass transfer rates of CO{sub 2} absorption/desorption and decreasing the processing costs for pumping the solvent. In this project, we have made systematic changes to the structure of these compounds to improve several physical and thermodynamic properties important for CO{sub 2} capture. Through these structure-property paradigms, we have obtained a RevIL which requires only a third of the energy required by conventional aqueous MEA process for 90% CO{sub 2} capture.

  11. Reversible Ionic Liquids as Double-Action Solvents for Efficient CO2 Capture

    SciTech Connect

    Eckert, Charles; Liotta, Charles

    2011-09-30

    We have developed a novel class of CO{sub 2} capture solvents, Reversible Ionic Liquids (RevILs), that offer high absorption capacity through two modes of capture: chemical reaction (chemisorption) and physical solubility (physisorption). These solvents are silicon containing alkaline compounds such as silylamines that form a liquid salt (ionic liquid) upon reaction with CO{sub 2}. Subsequently, modest elevations in temperature reverse the reaction and yield pure CO{sub 2} for sequestration. By incorporating Si in the molecules we have reduced the viscosity, thereby improving the mass transfer rates of CO{sub 2} absorption/desorption and decreasing the processing costs for pumping the solvent. In this project, we have made systematic changes to the structure of these compounds to improve several physical and thermodynamic properties important for CO{sub 2} capture. Through these structure-property paradigms, we have obtained a RevIL which requires only a third of the energy required by conventional aqueous MEA process for 90% CO{sub 2} capture.

  12. Oil-Miscible and Non-Corrosive Phosphonium Ionic Liquids as Candidate Lubricant Additives

    SciTech Connect

    Yu, Bo; Bansal, Dinesh G; Qu, Jun; Sun, Xiaoqi; Luo, Huimin; Dai, Sheng; Blau, Peter Julian; Bunting, Bruce G; Mordukhovich, Gregory; Smolenski, Donald

    2012-01-01

    Ionic liquids (ILs) have been receiving considerable attention from the lubricants industry as potential friction and wear-reducing additives, but their solubility in oils is an issue. Unlike most ionic liquids that are insoluble in non-polar hydrocarbon oils, this study reports phosphonium-based ILs (PP-ILs) that are fully miscible with both mineral oil-based and synthetic lubricants. Both the cation and anion in quaternary structures, long alkyl chains, and capability of pairing the cation and the anion via a H-O bond are hypothesized to improve the compatibility between ions and neutral oil molecules. The measured viscosities of the oil-IL blends agree well with the Refutas equation that is for solutions containing multiple components. High thermal stability and non-corrosiveness were observed for the PP-ILs. Effective friction reduction and anti-wear functionality have been demonstrated in tribological tests when adding 5 wt% of a PP-IL into a base oil, suggesting potential applications for using the oil-miscible PP-ILs as lubricant additives.

  13. Water uptake, ionic conductivity and swelling properties of anion-exchange membrane

    SciTech Connect

    Duan, QJ; Ge, SH; Wang, CY

    2013-12-01

    Water uptake, ionic conductivity and dimensional change of the anion-exchange membrane made by Tokuyama Corporation (A201 membrane) are investigated at different temperatures and water activities. Specifically, the amount of water taken up by membranes exposed to water vapor and membranes soaked in liquid water is determined. The water uptake of the A201 membrane increases with water content as well as temperature. In addition, water sorption data shows Schroeder's paradox for the AEMs investigated. The swelling properties of the A201 membrane exhibit improved dimensional stability compared with Nafion membrane. Water sorption of the A201 membrane occurs with a substantial negative excess volume of mixing. The threshold value of hydrophilic fraction in the A201 membrane for ionic conductivity is around 0.34, above which, the conductivity begins to rise quickly. This indicates that a change in the connectivity of the hydrophilic domains occurs when hydrophilic fraction approaches 0.34. (C) 2013 Elsevier B.V. All rights reserved.

  14. Inelastic neutron scattering study on boson peaks of imidazolium-based ionic liquids

    DOE PAGES [OSTI]

    Kofu, Maiko; Inamura, Yasuhiro; Podlesnyak, Andrey A.; Ehlers, Georg; Yamamuro, Osamu; Moriya, Yosuke

    2015-07-26

    Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a “boson peak” appeared at 1–3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (EBP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among EBP, the anion radius, andmore » the glass transition temperature Tg, we conclude that both EBP and Tg in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. Furthermore, we also found that the EBP is proportional to the inverse square root of the molecular weight as observed in molecular glasses.« less

  15. Process for CO2 Capture Using Ionic Liquid That Exhibits Phase Change

    SciTech Connect

    Eisinger, RS; Keller, GE

    2014-11-01

    A novel process for capturing carbon dioxide from the flue gas of a coal-fired power plant has been shown to reduce parasitic power consumption substantially. The process employs an ionic liquid created at the University of Notre Dame that has a high capacity for absorbing CO2 by chemical reaction. A distinguishing property of this ionic liquid is that it changes phase from solid to liquid upon reaction with CO2. The process uses heat generated by this phase transition to lower parasitic power consumption. The driving force for CO2 separation is a combination of temperature and pressure differences; the process could even work without the addition of heat. A realistic process was created to capture CO2 efficiently. Computer simulation of the process enabled calculation of viable process conditions and power usage. The main concepts of the process were shown to work using a lab-scale apparatus. Parasitic power consumes 23% of net power generation, 55% lower than that of the monoethanolamine (MEA) process. However, capital cost is higher. The cost of electricity (COE) is 28% lower than that of the MEA process.

  16. DOE TMD transportation training module 14 transportation of explosives

    SciTech Connect

    Griffith, R.L. Jr.

    1994-07-01

    The Department of Energy Transportation Management Division has developed training module 14, entitled {open_quotes}Transportation of Explosives{close_quotes} to compliment the basic {open_quotes}core ten{close_quotes} training modules of the Hazardous Materials Modular Training Program. The purpose of this training module is to increase awareness of the Department of Transportation (DOT) requirements concerning the packaging and transportation of explosives. Topics covered in module 14 include the classification of explosives, approval and registration of explosives, packaging requirements, hazard communication requirements, separation and segregation compatibility requirements, loading and unloading operations, as well as safety measures required in the event of a vehicle accident involving explosives.

  17. Transportation Data Programs:Transportation Energy Data Book,Vehicle

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Technologies Market Report, and VT Fact of the Week | Department of Energy Transportation Data Programs:Transportation Energy Data Book,Vehicle Technologies Market Report, and VT Fact of the Week Transportation Data Programs:Transportation Energy Data Book,Vehicle Technologies Market Report, and VT Fact of the Week 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting van009_davis_2013_p.pdf (3.39 MB) More Documents &

  18. Transportation Data Programs:Transportation Energy Data Book...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Environmental Protection Agency - U.S. Census Bureau - Argonne National Laboratory - ... | Project ID VAN009 Transportation Energy Data Book Relevance * This long-running project ...

  19. Westminster Energy Environment Transport Forum | Open Energy...

    OpenEI (Open Energy Information) [EERE & EIA]

    Westminster Energy Environment Transport Forum Jump to: navigation, search Name: Westminster Energy, Environment & Transport Forum Place: United Kingdom Product: String...

  20. Advancing Transportation Through Vehicle Electrification - PHEV...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    More Documents & Publications Advancing Transportation Through Vehicle Electrification - ... Office Merit Review 2014: Advancing Transportation through Vehicle Electrification - Ram ...

  1. Transportation, Aging and Disposal Canister System Performance...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Transportation, Aging and Disposal Canister System Performance Specification: Revision 1 Transportation, Aging and Disposal Canister System Performance Specification: Revision 1 ...

  2. Advanced Vehicle Electrification & Transportation Sector Electrificati...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    & Transportation Sector Electrification Advanced Vehicle Electrification & Transportation Sector Electrification 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies ...

  3. Regional Transportation Simulation Tool for Emergency Planning

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    rtstep-diag TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Regional Transportation Simulation Tool for Emergency ...

  4. EM Waste and Materials Disposition & Transportation | Department...

    Office of Environmental Management (EM)

    Waste and Materials Disposition & Transportation EM Waste and Materials Disposition & Transportation DOE's Radioactive Waste Management Priorities: Continue to manage waste ...

  5. Transportation Emergency Preparedness Program | Department of...

    Office of Environmental Management (EM)

    Program Transportation Emergency Preparedness Program Planning for a Shipment Campaign - Identification of Responder Needs PDF icon Transportation Emergency Preparedness Program...

  6. Intelligent Transportation Systems Deployment Analysis System...

    OpenEI (Open Energy Information) [EERE & EIA]

    Transportation Systems Deployment Analysis System AgencyCompany Organization: Cambridge Systematics Sector: Energy Focus Area: Transportation Resource Type: Software...

  7. Africa's Transport Infrastructure Mainstreaming Maintenance and...

    OpenEI (Open Energy Information) [EERE & EIA]

    Transport Infrastructure Mainstreaming Maintenance and Management Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Africa's Transport Infrastructure Mainstreaming...

  8. Testimonials - Partnerships in Sustainable Transportation - The...

    Office of Environmental Management (EM)

    Testimonials - Partnerships in Sustainable Transportation - The Ohio State University Testimonials - Partnerships in Sustainable Transportation - The Ohio State University Addthis ...

  9. Method to detect the end-point for PCR DNA amplification using an ionically labeled probe and measuring impedance change

    DOEpatents

    Miles, Robin R.; Belgrader, Phillip; Fuller, Christopher D.

    2007-01-02

    Impedance measurements are used to detect the end-point for PCR DNA amplification. A pair of spaced electrodes are located on a surface of a microfluidic channel and an AC or DC voltage is applied across the electrodes to produce an electric field. An ionically labeled probe will attach to a complementary DNA segment, and a polymerase enzyme will release the ionic label. This causes the conductivity of the solution in the area of the electrode to change. This change in conductivity is measured as a change in the impedance been the two electrodes.

  10. Hydrogen transport membranes

    DOEpatents

    Mundschau, Michael V.

    2005-05-31

    Composite hydrogen transport membranes, which are used for extraction of hydrogen from gas mixtures are provided. Methods are described for supporting metals and metal alloys which have high hydrogen permeability, but which are either too thin to be self supporting, too weak to resist differential pressures across the membrane, or which become embrittled by hydrogen. Support materials are chosen to be lattice matched to the metals and metal alloys. Preferred metals with high permeability for hydrogen include vanadium, niobium, tantalum, zirconium, palladium, and alloys thereof. Hydrogen-permeable membranes include those in which the pores of a porous support matrix are blocked by hydrogen-permeable metals and metal alloys, those in which the pores of a porous metal matrix are blocked with materials which make the membrane impervious to gases other than hydrogen, and cermets fabricated by sintering powders of metals with powders of lattice-matched ceramic.

  11. Transportation (technology 86)

    SciTech Connect

    Caplan, G.

    1986-01-01

    As railroads strive to cut operating and maintenance costs in an increasingly competitive transportation industry, AC propulsion and microprocessors figure prominently in their plans. New generations of locomotives and cars incorporating AC propulsion and microprocessors entered service last year, and the trend is destined to continue. Electronics is also making possible freight trains that rely on a telemetry unit at the rear to monitor airbrake pressure, instead of a manned caboose. AC is gaining acceptance because it permits simpler motors with fewer parts to wear and replace, and it saves energy by allowing the traction motors to work as generators during braking. Microprocessors are being used in locomotives not only to reduce energy waste through better regulation of traction motor currents and auxiliary devices such as cooling fans, but also to control engine speed, braking, and other functions.

  12. Heat transport system

    DOEpatents

    Harkness, Samuel D.

    1982-01-01

    A falling bed of ceramic particles receives neutron irradiation from a neutron-producing plasma and thereby transports energy as heat from the plasma to a heat exchange location where the ceramic particles are cooled by a gas flow. The cooled ceramic particles are elevated to a location from which they may again pass by gravity through the region where they are exposed to neutron radiation. Ceramic particles of alumina, magnesia, silica and combinations of these materials are contemplated as high-temperature materials that will accept energy from neutron irradiation. Separate containers of material incorporating lithium are exposed to the neutron flux for the breeding of tritium that may subsequently be used in neutron-producing reactions. The falling bed of ceramic particles includes velocity partitioning between compartments near to the neutron-producing plasma and compartments away from the plasma to moderate the maximum temperature in the bed.

  13. OXYGEN TRANSPORT CERAMIC MEMBRANES

    SciTech Connect

    Dr. Sukumar Bandopadhyay; Dr. Nagendra Nagabhushana

    2003-01-01

    In the present quarter, experiments are presented on ceramic/metal interactions of Zirconia/Ni-B-Si system and with a thin Ti coating deposited on zirconia surface. Processing of perovskites of LSC, LSF and LSCF composition for evaluation of mechanical properties as a function of environment are begun. The studies are to be in parallel with LSFCO composition to characterize the segregation of cations and slow crack growth in environmental conditions. La{sub 1-x}Sr{sub x}FeO{sub 3-d} has also been characterized for paramagnetic ordering at room temperature and the evolution of magnetic moments as a function of temperature are investigated. Investigation on the thermodynamic properties of the membrane materials are continued to develop a complete model for the membrane transport.

  14. Nanoengineered membranes for controlled transport

    DOEpatents

    Doktycz, Mitchel J. [Oak Ridge, TN; Simpson, Michael L. [Knoxville, TN; McKnight, Timothy E. [Greenback, TN; Melechko, Anatoli V. [Oak Ridge, TN; Lowndes, Douglas H. [Knoxville, TN; Guillorn, Michael A. [Knoxville, TN; Merkulov, Vladimir I. [Oak Ridge, TN

    2010-01-05

    A nanoengineered membrane for controlling material transport (e.g., molecular transport) is disclosed. The membrane includes a substrate, a cover definining a material transport channel between the substrate and the cover, and a plurality of fibers positioned in the channel and connected to an extending away from a surface of the substrate. The fibers are aligned perpendicular to the surface of the substrate, and have a width of 100 nanometers or less. The diffusion limits for material transport are controlled by the separation of the fibers. In one embodiment, chemical derivitization of carbon fibers may be undertaken to further affect the diffusion limits or affect selective permeability or facilitated transport. For example, a coating can be applied to at least a portion of the fibers. In another embodiment, individually addressable carbon nanofibers can be integrated with the membrane to provide an electrical driving force for material transport.

  15. Minority Transportation Expenditure Allocation Model

    Energy Science and Technology Software Center

    1993-04-12

    MITRAM (Minority TRansportation expenditure Allocation Model) can project various transportation related attributes of minority (Black and Hispanic) and majority (white) populations. The model projects vehicle ownership, vehicle miles of travel, workers, new car and on-road fleet fuel economy, amount and share of household income spent on gasoline, and household expenditures on public transportation and taxis. MITRAM predicts reactions to sustained fuel price changes for up to 10 years after the change.

  16. transportation-system-modeling-webinar

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Webinar Announcement Webinar for the Intelligent Transportation Society of the Midwest (ITS Midwest) May 16, 2011 1:00 PM(CST) Hubert Ley Director, TRACC Argonne National Laboratory Argonne, Illinois High Performance Computing in Transportation Research - High Fidelity Transportation Models and More The Role of High-Performance Computing Because ITS relies on a very diverse collection of technologies, including communication and control technologies, advanced computing, information management

  17. Transportation Projects | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Technology Validation » Transportation Projects Transportation Projects Because highway vehicles account for a large share of petroleum use, carbon dioxide (a primary greenhouse gas) emissions, and air pollution, advances in fuel cell power systems for transportation could substantially improve our energy security and air quality. However, few fuel-cell-powered vehicles are in use today; even fewer are available commercially. A number of fuel cell vehicle demonstrations are currently underway

  18. Sustainable Transportation | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Home » Sustainable Transportation Sustainable Transportation Bioenergy Bioenergy Read more Hydrogen and Fuel Cells Hydrogen and Fuel Cells Read more Vehicles Vehicles Read more The Office of Energy Efficiency and Renewable Energy (EERE) leads U.S. researchers and other partners in making transportation cleaner and more efficient through solutions that put electric drive vehicles on the road and replace oil with clean domestic fuels. Through our Vehicle, Bioenergy, and Fuel Cell Technologies

  19. computational-hydraulics-for-transportation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Transportation Workshop Sept. 23-24, 2009 Argonne TRACC Dr. Steven Lottes This email address is being protected from spambots. You need JavaScript enabled to view it. Announcement pdficon small The Transportation Research and Analysis Computing Center at Argonne National Laboratory will hold a workshop on the use of computational hydraulics for transportation applications. The goals of the workshop are: Bring together people who are using or would benefit from the use of high performance cluster

  20. Transportation energy use in Mexico

    SciTech Connect

    Sheinbaum, C.; Meyers, S.; Sathaye, J.

    1994-07-01

    This report presents data on passenger travel and freight transport and analysis of the consequent energy use in Mexico during the 1970--1971 period. We describe changes in modal shares for passenger travel and freight transport, and analyze trends in the energy intensity of different modes. We look in more detail at transportation patterns, energy use, and the related environmental problems in the Mexico City Metropolitan Area, and also discuss policies that have been implemented there to reduce emissions from vehicles.

  1. 2012 ROCK DEFORMATION: FEEDBACK PROCESSES IN ROCK DEFORMATION GORDON RESEARCH CONFERENCE, AUGUST 19-24, 2012

    SciTech Connect

    Kelemen, Peter

    2012-08-24

    Topics covered include: Failure At High Confining Pressure; Fluid-assisted Slip, Earthquakes & Fracture; Reaction-driven Cracking; Fluid Transport, Deformation And Reaction; Localized Fluid Transport And Deformation; Earthquake Mechanisms; Subduction Zone Dynamics And Crustal Growth.

  2. Air Transport Optimization Model | NISAC

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    NISACAir Transport Optimization Model content top Network Optimization Models (RNAS and ATOM) Posted by Admin on Mar 1, 2012 in | Comments 0 comments Many critical infrastructures ...

  3. Transportation Statistics Annual Report 1997

    SciTech Connect

    Fenn, M.

    1997-01-01

    This document is the fourth Transportation Statistics Annual Report (TSAR) prepared by the Bureau of Transportation Statistics (BTS) for the President and Congress. As in previous years, it reports on the state of U.S. transportation system at two levels. First, in Part I, it provides a statistical and interpretive survey of the system—its physical characteristics, its economic attributes, aspects of its use and performance, and the scale and severity of unintended consequences of transportation, such as fatalities and injuries, oil import dependency, and environment impacts. Part I also explores the state of transportation statistics, and new needs of the rapidly changing world of transportation. Second, Part II of the report, as in prior years, explores in detail the performance of the U.S. transportation system from the perspective of desired social outcomes or strategic goals. This year, the performance aspect of transportation chosen for thematic treatment is “Mobility and Access,” which complements past TSAR theme sections on “The Economic Performance of Transportation” (1995) and “Transportation and the Environment” (1996). Mobility and access are at the heart of the transportation system’s performance from the user’s perspective. In what ways and to what extent does the geographic freedom provided by transportation enhance personal fulfillment of the nation’s residents and contribute to economic advancement of people and businesses? This broad question underlies many of the topics examined in Part II: What is the current level of personal mobility in the United States, and how does it vary by sex, age, income level, urban or rural location, and over time? What factors explain variations? Has transportation helped improve people’s access to work, shopping, recreational facilities, and medical services, and in what ways and in what locations? How have barriers, such as age, disabilities, or lack of an automobile, affected these

  4. Natural gas marketing and transportation

    SciTech Connect

    Not Available

    1991-01-01

    This book covers: Overview of the natural gas industry; Federal regulation of marketing and transportation; State regulation of transportation; Fundamentals of gas marketing contracts; Gas marketing options and strategies; End user agreements; Transportation on interstate pipelines; Administration of natural gas contracts; Structuring transactions with the nonconventional source fuels credit; Take-or-pay wars- a cautionary analysis for the future; Antitrust pitfalls in the natural gas industry; Producer imbalances; Natural gas futures for the complete novice; State non-utility regulation of production, transportation and marketing; Natural gas processing agreements and Disproportionate sales, gas balancing, and accounting to royalty owners.

  5. Office of Secure Transportation Activities

    Office of Environmental Management (EM)

    Briefing Our Mission To provide safe and secure ground and air transportation of nuclear weapons, nuclear weapons components, and special nuclear materials and conduct other ...

  6. hydrogen-fueled transportation systems

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... materials to store hydrogen onboard vehicles, leading to more reliable, economic hydrogen-fuel-cell vehicles. "Hydrogen, as a transportation fuel, has great potential to ...

  7. Transportation Security | Department of Energy

    Office of Environmental Management (EM)

    Transportation Security More Documents & Publications Overview for Newcomers West Valley Demonstration Project Low-Level Waste Shipment Indiana Department of Homeland...

  8. Nanofluidic transport through isolated carbon nanotube channels: Advances, controversies, and challenges

    SciTech Connect

    Guo, Shirui; Meshot, Eric R.; Kuykendall, Tevye; Cabrini, Stefano; Fornasiero, Francesco

    2015-06-02

    Owing to their simple chemistry and structure, controllable geometry, and a plethora of unusual yet exciting transport properties, carbon nanotubes (CNTs) have emerged as exceptional channels for fundamental nanofluidic studies, as well as building blocks for future fluidic devices that can outperform current technology in many applications. Leveraging the unique fluidic properties of CNTs in advanced systems requires a full understanding of their physical origin. Recent advancements in nanofabrication technology enable nanofluidic devices to be built with a single, nanometer-wide CNT as a fluidic pathway. These novel platforms with isolated CNT nanochannels offer distinct advantages for establishing quantitative structure–transport correlations in comparison with membranes containing many CNT pores. In addition, they are promising components for single-molecule sensors as well as for building nanotube-based circuits wherein fluidics and electronics can be coupled. With such advanced device architecture, molecular and ionic transport can be manipulated with vastly enhanced control for applications in sensing, separation, detection, and therapeutic delivery. Recent achievements in fabricating isolated-CNT nanofluidic platforms are highlighted, along with the most-significant findings each platform enables for water, ion, and molecular transport. Furthermore, the implications of these findings and remaining open questions on the exceptional fluidic properties of CNTs are also discussed.

  9. Nanofluidic transport through isolated carbon nanotube channels: Advances, controversies, and challenges

    DOE PAGES [OSTI]

    Guo, Shirui; Meshot, Eric R.; Kuykendall, Tevye; Cabrini, Stefano; Fornasiero, Francesco

    2015-06-02

    Owing to their simple chemistry and structure, controllable geometry, and a plethora of unusual yet exciting transport properties, carbon nanotubes (CNTs) have emerged as exceptional channels for fundamental nanofluidic studies, as well as building blocks for future fluidic devices that can outperform current technology in many applications. Leveraging the unique fluidic properties of CNTs in advanced systems requires a full understanding of their physical origin. Recent advancements in nanofabrication technology enable nanofluidic devices to be built with a single, nanometer-wide CNT as a fluidic pathway. These novel platforms with isolated CNT nanochannels offer distinct advantages for establishing quantitative structure–transport correlationsmore » in comparison with membranes containing many CNT pores. In addition, they are promising components for single-molecule sensors as well as for building nanotube-based circuits wherein fluidics and electronics can be coupled. With such advanced device architecture, molecular and ionic transport can be manipulated with vastly enhanced control for applications in sensing, separation, detection, and therapeutic delivery. Recent achievements in fabricating isolated-CNT nanofluidic platforms are highlighted, along with the most-significant findings each platform enables for water, ion, and molecular transport. Furthermore, the implications of these findings and remaining open questions on the exceptional fluidic properties of CNTs are also discussed.« less

  10. Transportation and energy: Strategies for a sustainable transportation system

    SciTech Connect

    Sperling, D.; Shaheen, S.A.

    1995-12-31

    Widespread concern about energy efficiency, societal impacts and environmental quality has sparked a global interest in the reevaluation of their transportation systems. This book examines how transportation energy choices made by citizens, policy makers and planners will affect national goals of mobility, accessibility, environmental quality, quality of life, economic growth, and energy security. Chapters cover: mobility, growth and system change, including land use and transportation alternatives; energy and vehicle alternatives, including ``superefficient`` cars, alternative fuels and energy and emissions reduction policy; social cost analysis of alternative fuels; market-based demand management policies in Southern California; fuel and vehicle taxation as market incentives for higher fuel economy and the effect of taxation policies on vehicle characteristics in the US and other developed countries; and industry perspectives on technology, economics and government-industry cooperation. Based on presentations made by transportation system planners and policy-makers at the 1993 Asilomar Conference on Transportation and Energy.

  11. Transportation System Concept of Operations

    SciTech Connect

    N. Slater-Thompson

    2006-08-16

    The Nuclear Waste Policy Act of 1982 (NWPA), as amended, authorized the DOE to develop and manage a Federal system for the disposal of SNF and HLW. OCRWM was created to manage acceptance and disposal of SNF and HLW in a manner that protects public health, safety, and the environment; enhances national and energy security; and merits public confidence. This responsibility includes managing the transportation of SNF and HLW from origin sites to the Repository for disposal. The Transportation System Concept of Operations is the core high-level OCRWM document written to describe the Transportation System integrated design and present the vision, mission, and goals for Transportation System operations. By defining the functions, processes, and critical interfaces of this system early in the system development phase, programmatic risks are minimized, system costs are contained, and system operations are better managed, safer, and more secure. This document also facilitates discussions and understanding among parties responsible for the design, development, and operation of the Transportation System. Such understanding is important for the timely development of system requirements and identification of system interfaces. Information provided in the Transportation System Concept of Operations includes: the functions and key components of the Transportation System; system component interactions; flows of information within the system; the general operating sequences; and the internal and external factors affecting transportation operations. The Transportation System Concept of Operations reflects OCRWM's overall waste management system policies and mission objectives, and as such provides a description of the preferred state of system operation. The description of general Transportation System operating functions in the Transportation System Concept of Operations is the first step in the OCRWM systems engineering process, establishing the starting point for the lower level

  12. A cobalt(II) bis(salicylate)-based ionic liquid that shows thermoresponsive and selective water coordination

    SciTech Connect

    Kohno, Y; Cowan, MG; Masuda, M; Bhowmick, I; Shores, MP; Gin, DL; Noble, RD

    2014-01-01

    A metal-containing ionic liquid (MCIL) has been prepared in which the [CoII(salicylate)(2)](2-) anion is able to selectively coordinate two water molecules with a visible colour change, even in the presence of alcohols. Upon moderate heating or placement in vacuo, the hydrated MCIL undergoes reversible thermochromism by releasing the bound water molecules.

  13. Ionic liquid-mediated synthesis of meso-scale porous lanthanum-transition-metal perovskites with high CO oxidation performance

    DOE PAGES [OSTI]

    Lu, Hanfeng; Zhang, Pengfei; Qiao, Zhen-An; Zhang, Jinshui; Zhu, Huiyuan; Chen, Jihua; Chen, Yinfei; Dai, Sheng

    2015-02-19

    Lanthanum-transition-metal perovskites with robust meso-scale porous frameworks (meso-LaMO3) are synthesized through use of ionic liquids. The resultant samples demonstrate a rather high activity for CO oxidation, by taking advantage of unique nanostructure-derived benefits. This synthesis strategy opens up a new opportunity for preparing functional mesoporous complex oxides of various compositions.

  14. Ionic liquid-mediated synthesis of meso-scale porous lanthanum-transition-metal perovskites with high CO oxidation performance

    SciTech Connect

    Lu, Hanfeng; Zhang, Pengfei; Qiao, Zhen-An; Zhang, Jinshui; Zhu, Huiyuan; Chen, Jihua; Chen, Yinfei; Dai, Sheng

    2015-02-19

    Lanthanum-transition-metal perovskites with robust meso-scale porous frameworks (meso-LaMO3) are synthesized through use of ionic liquids. The resultant samples demonstrate a rather high activity for CO oxidation, by taking advantage of unique nanostructure-derived benefits. This synthesis strategy opens up a new opportunity for preparing functional mesoporous complex oxides of various compositions.

  15. Mixed-Salt Effects on the Ionic Conductivity of Lithium-Doped PEO-Containing Block Copolymers

    SciTech Connect

    Young, Wen-Shiue; Albert, Julie N.L.; Schantz, A. Benjamin; Epps, III, Thomas H.

    2012-10-10

    We demonstrate a simple, yet effective, mixed-salt method to increase the room temperature ionic conductivity of lithium-doped block copolymer electrolyte membranes by suppressing the crystalline phases in the conducting block. We examined a mixed-salt system of LiClO{sub 4} and LiN(SO{sub 2}CF{sub 3}){sub 2} (LiTFSI) doped into a lamellae-forming poly(styrene-b-ethylene oxide) (PS-PEO) diblock copolymer. The domain spacings, morphologies, thermal behavior, and crystalline phases of salt-doped PS-PEO samples were characterized, and the ionic conductivities of block copolymer electrolytes were obtained through ac impedance measurements. Comparing the ionic conductivity profiles of salt-doped PS-PEO samples at different mixed-salt ratios and total salt concentrations, we found that the ionic conductivity at room temperature can be improved by more than an order of magnitude when coinhibition of crystallite growth is promoted by the concerted behavior of the PEO:LiClO{sub 4} and PEO:LiTFSI phases. Additionally, we examined the influence of mixed-salt ratio and total salt concentration on copolymer energetics, and we found that the slope of the effective interaction parameter ({chi}{sub eff}) vs salt concentration in our lamellae-forming PS-PEO system was lower than that reported for a cylinder-forming PS-PEO system due to the balance between chain stretching and salt segregation in the PEO domains.

  16. The Optimization of an Ionic Liquid-Based TALSPEAK-Like Process for Rare Earth Ions Separation

    SciTech Connect

    Dai, Sheng; Sun, Xiaoqi; Luo, Huimin

    2014-01-01

    Five new functionalized ionic liquids (FILs), tetraethylammonium di(2-ethylhexyl)phosphate ([N2222][DEHP]), tetraethylammonium bis(2,4,4-trimethylpentyl)phosphinite ([N2222][BTMPP]), tetraethylammonium bis(2,4,4-trimethylpentyl)dithiophosphinite ([N2222][BTMPDTP]), tetrahexylammonium di(2-ethylhexyl)phosphate ([N6666][DEHP]), and tetraoctylammonium di(2-ethylhexyl)phosphate ([N8888][DEHP]) were synthesized and characterized. These ILs along with two previously synthesized FILs ([N4444][DEHP] & [N1888][DEHP]) were used as ionic extractants and investigated for rare earth elements (REEs) separation in 1-decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide/bis(perfluoroethanesulfonyl)imide ([C10mim][NTf2]/[BETI]). These FILs as ionic extractants were miscible with [C10mim][NTf2]/[BETI]. We herein report the applications of these FILs in an IL-based TALSPEAK-like process and the optimization of the process by adjusting the cations and anions of the FILs, concentrations of the FILs as ionic extractants in the IL phase, concentrations of diethylenetriamine pentaacetic acid (DTPA) in the aqueous phase, and acidities of the aqueous phase.

  17. TiO2 nanotube arrays grown in ionic liquids: high-efficiency in photocatalysis and pore-widening

    SciTech Connect

    Li, Huaqing; Qu, Jun; Cui, Qingzhou; Xu, Hanbing; Luo, Huimin; Chi, Miaofang; Meisner, Roberta Ann; Wang, Wei; Dai, Sheng

    2011-01-01

    Debris-free, long, well-separated TiO2 nanotube arrays were obtained using an ionic liquid (IL) as electrolyte. The high conductivity of IL resulted in fast pore widening and few contaminants from electrolyte decomposition leading to high photocatalytic efficiency in water splitting.

  18. Fabrication of ionic liquid electrodeposited Cu--Sn--Zn--S--Se thin films and method of making

    DOEpatents

    Bhattacharya, Raghu Nath

    2016-01-12

    A semiconductor thin-film and method for producing a semiconductor thin-films comprising a metallic salt, an ionic compound in a non-aqueous solution mixed with a solvent and processing the stacked layer in chalcogen that results in a CZTS/CZTSS thin films that may be deposited on a substrate is disclosed.

  19. Mars manned transportation vehicle

    SciTech Connect

    Perez-Davis, M.E.; Faymon, K.A.

    1987-07-01

    A viable power system technology for a surface transportation vehicle to explore the planet Mars is presented. A number of power traction systems were investigated, and it was found that a regenerative hydrogen-oxygen fuel cell appears to be attractive for a manned Mars rover application. Mission requirements were obtained from the Manned Mars Mission Working Group. Power systems weights, power, and reactants requirements were determined as a function of vehicle weights for vehicles weighing from 6,000 to 16,000 lb (2,722 to 7,257 kg), (Earth weight). The vehicle performance requirements were: velocity, 10 km/hr; range, 100 km; slope climbing capability, 30 deg uphill for 50 km; mission duration, 5 days; and crew, 5. Power requirements for the operation of scientific equipment and support system capabilities were also specified and included in this study. The concept developed here would also be applicable to a Lunar based vehicle for Lunar exploration. The reduced gravity on the Lunar surface, (over that on the Martian surface), would result in an increased range or capability over that of the Mars vehicle since many of the power and energy requirements for the vehicle are gravity dependent.

  20. Radioactive Material Transportation Practices Manual

    Directives, Delegations, and Other Requirements [Office of Management (MA)]

    2008-06-04

    This Manual establishes standard transportation practices for the Department of Energy, including National Nuclear Security Administration to use in planning and executing offsite shipments of radioactive materials and waste. The revision reflects ongoing collaboration of DOE and outside organizations on the transportation of radioactive material and waste. Supersedes DOE M 460.2-1.

  1. Vapor pressures of 1,3-dialkylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids with long alkyl chains

    SciTech Connect

    Rocha, Marisa A. A. E-mail: marisa.alexandra.rocha@gmail.com; Coutinho, João A. P.; Santos, Luís M. N. B. F. E-mail: marisa.alexandra.rocha@gmail.com

    2014-10-07

    This work presents the vapor pressure at several temperatures for the 1,3-dialkylimidazolium bis(trifluoromethylsulfonyl)imide series, [C{sub N/2}C{sub N/2}im][NTf{sub 2}] (N = 14, 16, 18, and 20), measured by a Knudsen effusion method combined with a quartz crystal microbalance. The thermodynamic properties of vaporization of the ionic liquids under study are analysed together with the results obtained previously for the shorter alkyl chain length [C{sub N/2}C{sub N/2}im][NTf{sub 2}] (N = 2, 4, 6, 8, 10, and 12), in order to evaluate the effect of the alkyl side chains of the cation and to get additional insights concerning the nanostructuration of ionic liquids. The symmetry effect is explored, based on the comparison with the asymmetric imidazolium based ionic liquids, [C{sub N-1}C{sub 1}im][NTf{sub 2}]. A trend shift on the thermodynamic properties of vaporization along the alkyl side chains of the extended symmetric ionic liquids, around [C{sub 6}C{sub 6}im][NTf{sub 2}], was detected. An intensification of the odd-even effect was observed starting from [C{sub 6}C{sub 6}im][NTf{sub 2}], with higher enthalpies and entropies of vaporization for the odd numbered ionic liquids, [C{sub 7}C{sub 7}im][NTf{sub 2}] and [C{sub 9}C{sub 9}im][NTf{sub 2}]. Similar, but less pronounced, odd-even effect was found for the symmetric ionic liquids with lower alkyl side chains length, [C{sub N/2}C{sub N/2}im][NTf{sub 2}] (with N = 4, 6, 8, 10, and 12). This effect is related with the predominant orientation of the terminal methyl group of the alkyl chain to the imidazolium ring and their influence in the cation-anion interaction. The same Critical Alkyl length at the hexyl, (C{sub 6}C{sub 1}and C{sub 6}C{sub 6}) was found for both asymmetric and symmetric series indicating that the nanostructuration of the ionic liquids is related with alkyl chain length.

  2. Career Map: Transportation Worker | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Transportation Worker Career Map: Transportation Worker Transportation workers help to guide a large wind turbine component down a narrow road. Transportation Worker Position Title Transportation Worker Alternate Title(s) Railroad worker, truck driver, driver, long-haul truck driver, water transportation officer or engineer Education & Training Level Bachelor's degree generally not expected Education & Training Level Description Transportation workers' education and training requirements

  3. Coal Transportation Rate Sensitivity Analysis

    Reports and Publications

    2005-01-01

    On December 21, 2004, the Surface Transportation Board (STB) requested that the Energy Information Administration (EIA) analyze the impact of changes in coal transportation rates on projected levels of electric power sector energy use and emissions. Specifically, the STB requested an analysis of changes in national and regional coal consumption and emissions resulting from adjustments in railroad transportation rates for Wyoming's Powder River Basin (PRB) coal using the National Energy Modeling System (NEMS). However, because NEMS operates at a relatively aggregate regional level and does not represent the costs of transporting coal over specific rail lines, this analysis reports on the impacts of interregional changes in transportation rates from those used in the Annual Energy Outlook 2005 (AEO2005) reference case.

  4. Transportation Energy Futures Analysis Snapshot

    Energy.gov [DOE]

    Transportation currently accounts for 71% of total U.S. petroleum use and 33% of the nation's total carbon emissions. The TEF project explores how combining multiple strategies could reduce GHG emissions and petroleum use by 80%. Researchers examined four key areas – lightduty vehicles, non-light-duty vehicles, fuels, and transportation demand – in the context of the marketplace, consumer behavior, industry capabilities, technology and the energy and transportation infrastructure. The TEF reports support DOE long-term planning. The reports provide analysis to inform decisions about transportation energy research investments, as well as the role of advanced transportation energy technologies and systems in the development of new physical, strategic, and policy alternatives.

  5. Heavy oil transportation by pipeline

    SciTech Connect

    Gerez, J.M.; Pick, A.R.

    1996-12-31

    Worldwide there are a number of pipelines used to transport heavy crude oils. The operations are facilitated in a variety of ways. For example, the Alyeska pipeline is an insulated pipeline transporting warm oil over 800 miles. This 48-inch line experiences limited heat loss due to the insulation, volume of oil contained, and heat gain due to friction and pumping. Some European trunk lines periodically handle heavy and waxy crudes. This is achieved by proper sizing of batches, following waxy crudes with non-waxy crudes, and increased use of scrapers. In a former Soviet republic, the transportation of heavy crude oil by pipeline has been facilitated by blending with a lighter Siberian crude. The paper describes the pipeline transport of heavy crudes by Interprovincial Pipe Line Inc. The paper describes enhancing heavy oil transportation by emulsion formation, droplet suspension, dilution, drag reducing agents, and heating.

  6. EXAFS investigations of the mechanism of facilitated ion transfer into a room-temperature ionic liquid.

    SciTech Connect

    Jensen, M. P.; Dzielawa, J. A.; Rickert, P.; Dietz, M. L.; Chemistry

    2002-09-11

    The Sr(II)-crown ether complexes formed in a room-temperature ionic liquid (RTIL), 1-methyl-3-pentylimidazolium bis[(trifluoromethyl)sulfonyl]amide, have been studied by X-ray absorption fine structure measurements at the Sr K-edge. When a Sr(NO{sub 3}){sub 2}-crown ether complex is directly dissolved in a water-saturated RTIL, both nitrate ligands and the crown ether coordinate the Sr, as observed in a conventional two-phase water-octanol system. When the cationic Sr-crown ether complex is created in a two-phase water-RTIL system, however, only cationic Sr-crown ether complexes are observed in the RTIL phase. This difference in the coordination complexes arises from differences in the mechanism of cation extraction between the RTIL and conventional molecular organic solvents, a finding with important implications for synthesis, catalysis, and ion separations using two-phase water-RTIL systems.

  7. Bias-dependent molecular-level structure of electrical double layer in ionic liquid on graphite

    SciTech Connect

    Black, Jennifer M; Walters, Deron; Labuda, Aleksander; Feng, Guang; Hillesheim, Patrick C; Dai, Sheng; Cummings, Peter T; Kalinin, Sergei V; Proksch, Roger; Balke, Nina

    2013-01-01

    Bias-dependent structure of electrochemical double layers at liquid-solid interfaces underpin a multitude of phenomena in virtually all areas of scientific enquiry ranging from energy storage and conversion systems, biology, to geophysics and geochemistry. Here we report the bias-evolution of the electric double layer structure of an ionic liquid on highly ordered pyrolytic graphite as a model system for carbon-based electrodes for electrochemical supercapacitors measured by atomic force microscopy. Matching the observed structures to molecular dynamics simulations allows us to resolve steric effects due to cation and anion layers. We observe reconfiguration under applied bias and the orientational transitions in the Stern layer. The synergy between molecular dynamics simulation and experiment provides a comprehensive picture of structural phenomena and long- and short range interactions. This insight will improve understanding of the mechanism of charge storage in electrochemical capacitors on a molecular level which can be used to enhance their electrochemical performance.

  8. Liquid metal ion source and alloy for ion emission of multiple ionic species

    DOEpatents

    Clark, Jr., William M.; Utlaut, Mark W.; Wysocki, Joseph A.; Storms, Edmund K.; Szklarz, Eugene G.; Behrens, Robert G.; Swanson, Lynwood W.; Bell, Anthony E.

    1987-06-02

    A liquid metal ion source and alloy for the simultaneous ion evaporation of arsenic and boron, arsenic and phosphorus, or arsenic, boron and phosphorus. The ionic species to be evaporated are contained in palladium-arsenic-boron and palladium-arsenic-boron-phosphorus alloys. The ion source, including an emitter means such as a needle emitter and a source means such as U-shaped heater element, is preferably constructed of rhenium and tungsten, both of which are readily fabricated. The ion sources emit continuous beams of ions having sufficiently high currents of the desired species to be useful in ion implantation of semiconductor wafers for preparing integrated circuit devices. The sources are stable in operation, experience little corrosion during operation, and have long operating lifetimes.

  9. Impact of Mixed Feedstocks and Feedstock Densification on Ionic Liquid Pretreatment Efficiency

    SciTech Connect

    Jian Shi; Vicki S. Thompson; Neal A. Yancey; Vitalie Stavila; Blake A. Simmons; Seema Singh

    2013-01-01

    Background: Lignocellulosic biorefineries must be able to efficiently process the regional feedstocks that are available at cost-competitive prices year round. These feedstocks typically have low energy densities and vary significantly in composition. One potential solution to these issues is blending and/or densifying the feedstocks in order to create a uniform feedstock. Results/discussion: We have mixed four feedstocks - switchgrass, lodgepole pine, corn stover, and eucalyptus - in flour and pellet form and processed them using the ionic liquid 1-ethyl-3-methylimidazolium acetate. Sugar yields from both the mixed flour and pelletized feedstocks reach 90% within 24 hours of saccharification. Conclusions: Mixed feedstocks, in either flour or pellet form, are efficiently processed using this pretreatment process, and demonstrate that this approach has significant potential.

  10. Voltage switching of a VO{sub 2} memory metasurface using ionic gel

    SciTech Connect

    Goldflam, M. D.; Liu, M. K.; Chapler, B. C.; Stinson, H. T.; Sternbach, A. J.; McLeod, A. S.; Basov, D. N.; Zhang, J. D.; Geng, K.; Royal, M.; Jokerst, N. M.; Smith, D. R.; Kim, Bong-Jun; Averitt, R. D.; Kim, H-T.

    2014-07-28

    We demonstrate an electrolyte-based voltage tunable vanadium dioxide (VO{sub 2}) memory metasurface. Large spatial scale, low voltage, non-volatile switching of terahertz (THz) metasurface resonances is achieved through voltage application using an ionic gel to drive the insulator-to-metal transition in an underlying VO{sub 2} layer. Positive and negative voltage application can selectively tune the metasurface resonance into the “off” or “on” state by pushing the VO{sub 2} into a more conductive or insulating regime respectively. Compared to graphene based control devices, the relatively long saturation time of resonance modification in VO{sub 2} based devices suggests that this voltage-induced switching originates primarily from electrochemical effects related to oxygen migration across the electrolyte–VO{sub 2} interface.

  11. Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(? H)}+

    SciTech Connect

    Fagan, Paul J.; Voges, Mark H.; Bullock, R. Morris

    2010-02-22

    {[Cp*Ru(CO)2]2(? H)}+OTf functions as a homogeneous catalyst precursor for hydrogenation of ketones to alcohols, with hydrogenations at 1 mol % catalyst loading at 90 C under H2 (820 psi) proceeding to completion and providing >90% yields. Hydrogenation of methyl levulinate generates ?-valerolactone, presumably by ring-closing of the initially formed alcohol with the methyl ester. Experiments in neat Et2C=O show that the catalyst loading can be <0.1 mole %, and that at least 1200 turnovers of the catalyst can be obtained. These reactions are proposed to proceed by an ionic hydrogenation pathway, with the highly acidic dihydrogen complex [Cp*Ru(CO)2(?2-H2)]+OTf- being formed under the reaction conditions from reaction of H2 with {[Cp*Ru(CO)2]2(? H)}+OTf .

  12. Lubricants or lubricant additives composed of ionic liquids containing ammonium cations

    DOEpatents

    Qu, Jun (Knoxville, TN) [Knoxville, TN; Truhan, Jr.,; John J. (Cookeville, TN) [Cookeville, TN; Dai, Sheng (Knoxville, TN) [Knoxville, TN; Luo, Huimin (Knoxville, TN) [Knoxville, TN; Blau, Peter J. (Knoxville, TN) [Knoxville, TN

    2010-07-13

    A lubricant or lubricant additive is an ionic liquid alkylammonium salt. The alkylammonium salt has the structure R.sub.xNH.sub.(4-x).sup.+,[F.sub.3C(CF.sub.2).sub.yS(O).sub.2].sub.2N.sup- .- where x is 1 to 3, R is independently C.sub.1 to C.sub.12 straight chain alkyl, branched chain alkyl, cycloalkyl, alkyl substituted cycloalkyl, cycloalkyl substituted alkyl, or, optionally, when x is greater than 1, two R groups comprise a cyclic structure including the nitrogen atom and 4 to 12 carbon atoms, and y is independently 0 to 11. The lubricant is effective for the lubrication of many surfaces including aluminum and ceramics surfaces.

  13. Integrated Mg/TiO{sub 2}-ionic liquid system for deep desulfurization

    SciTech Connect

    Yin, Yee Cia; Kait, Chong Fai E-mail: hayyiratulfatimah@yahoo.com Fatimah, Hayyiratul E-mail: hayyiratulfatimah@yahoo.com Wilfred, Cecilia E-mail: hayyiratulfatimah@yahoo.com

    2014-10-24

    A series of Mg/TiO{sub 2} photocatalysts were prepared using wet impregnation method followed by calcination at 300, 400 and 500°C for 1 h. The photocatalysts were characterized using Thermal Gravimetric Analysis, Fourier-Transform Infrared Spectroscopy, X-Ray Diffraction, and Field Emission Scanning Electron Microscopy. The performance for deep desulfurization was investigated using model oil with 100 ppm sulfur (in the form of dibenzothiophene). The integrated system involves photocatalytic oxidation followed by ionic liquid-extraction processes. The best performing photocatalyst was 0.25wt% Mg loaded on titania calcined at 400°C (0.25Mg400), giving 98.5% conversion of dibenzothiophene to dibenzothiophene sulfone. The highest extraction efficiency of 97.8% was displayed by 1,2-diethylimidazolium diethylphosphate. The overall total sulfur removal was 96.3%.

  14. Ceramic membranes for catalytic membrane reactors with high ionic conductivities and low expansion properties

    DOEpatents

    Mackay, Richard (Lafayette, CO); Sammells, Anthony F. (Boulder, CO)

    2000-01-01

    Ceramics of the composition: Ln.sub.x Sr.sub.2-x-y Ca.sub.y B.sub.z M.sub.2-z O.sub.5+.delta. where Ln is an element selected from the fblock lanthanide elements and yttrium or mixtures thereof; B is an element selected from Al, Ga, In or mixtures thereof; M is a d-block transition element of mixtures thereof; 0.01.ltoreq.x.ltoreq.1.0; 0.01.ltoreq.y.ltoreq.0.7; 0.01.ltoreq.z.ltoreq.1.0 and .delta. is a number that varies to maintain charge neutrality are provided. These ceramics are useful in ceramic membranes and exhibit high ionic conductivity, high chemical stability under catalytic membrane reactor conditions and low coefficients of expansion. The materials of the invention are particularly useful in producing synthesis gas.

  15. Application of pyroelectric crystal and ionic liquid to the production of metal compounds

    SciTech Connect

    Imashuku, Susumu; Imanishi, Akira; Kawai, Jun

    2013-04-19

    Zinc fluoride (ZnF{sub 2}) was deposited on a silicon substrate by changing temperature of a pyroelectric crystal of LiTaO{sub 3} on which ionic liquid (EMI-Tf{sub 2}N) containing zinc ions was dripped at 1 Pa. ZnF{sub 2} was also obtained by bombarding argon ions on EMI-Tf{sub 2}N containing zinc ions. From these results, it is concluded that EMI-Tf{sub 2}N containing zinc ions on the LiTaO{sub 3} crystal was evaporated on the silicon substrate by changing temperature of the LiTaO{sub 3} crystal in vacuum and that the evaporated EMI-Tf{sub 2}N containing metal zinc ions was decomposed to ZnF{sub 2} by the bombardment of electrons accelerated by the electric field between the LiTaO{sub 3} crystal and the silicon substrate.

  16. Molecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach

    DOE PAGES [OSTI]

    Yoo, Brian; Jing, Benxin; Jones, Stuart E.; Lamberti, Gary A.; Zhu, Yingxi; Shah, Jindal K.; Maginn, Edward J.

    2016-02-02

    Ionic liquids (ILs) are salts that remain liquid down to low temperatures, and sometimes well below room temperature. ILs have been called “green solvents” because of their extraordinarily low vapor pressure and excellent solvation power, but ecotoxicology studies have shown that some ILs exhibit greater toxicity than traditional solvents. A fundamental understanding of the molecular mechanisms responsible for IL toxicity remains elusive. Here we show that one mode of IL toxicity on unicellular organisms is driven by swelling of the cell membrane. Cytotoxicity assays, confocal laser scanning microscopy, and molecular simulations reveal that IL cations nucleate morphological defects in themore » microbial cell membrane at concentrations near the half maximal effective concentration (EC50) of several microorganisms. Lastly, cytotoxicity increases with increasing alkyl chain length of the cation due to the ability of the longer alkyl chain to more easily embed in, and ultimately disrupt, the cell membrane.« less

  17. Tertiary and Quaternary Ammonium-Phosphate Ionic Liquids as Lubricant Additives

    DOE PAGES [OSTI]

    Barnhill, William C.; Luo, Huimin; Meyer, III, Harry M; Ma, Cheng; Chi, Miaofang; Papke, Brian L.; Qu, Jun

    2016-06-23

    In this work we investigated the feasibility of five quaternary (aprotic) and four tertiary (protic) ammonium ionic liquids (ILs) with an identical organophosphate anion as lubricant antiwear additives. Viscosity, oil solubility, thermal stability, and corrosivity of the candidate ILs were characterized and correlated to the molecular structure. The protic group exhibits higher oil solubility than the aprotic group, and longer alkyl chains seem to provide better oil solubility and higher thermal stability. Selected ILs were applied as oil additives in steel-cast iron tribological tests and demonstrated promising anti-scuffing and anti-wear functionality. The thickness, nanostructure, coverage and composition of the tribofilmmore » formed by the besting performing IL were revealed by surface characterization for mechanistic understanding of the tribochemical interactions between the IL and metal surface. Results provide fundamental insights of the correlations among the molecular structure, physiochemical properties and lubricating performance for ammonium-phosphate ILs.« less

  18. Passive Corrosion Behavior of Alloy 22 in Multi-Ionic Aqueous Environments

    SciTech Connect

    Lian, T.; Estill, J.C.; Hust, G.A.; Fix, D.V.; Rebak, R.B.

    2002-06-03

    In current waste packaging design, Alloy 22 (Ni-22Cr-13Mo-3W-3Fe) has been chosen as the candidate materials to fabricate a 2 cm outer layer of the high-level nuclear waste containers, as part of proposed geological repository at Yucca Mountain, Nevada. During the repository period, the container materials will be subject to the corrosion due to its exposure to the multi-ionic aqueous environments. Although Alloy 22 has demonstrated excellent corrosion resistance, but accumulation of small yearly corrosion rate for 10,000 or more years can be significant enough. The goal of this research is to seek alternative techniques to obtain a reasonably confident corrosion rate determination, since the conventional weight loss technique requires many years to achieve a detectable weight loss in Alloy 22 samples. This paper will discuss the latest experiment results in using potentiostatic technique to determine passive dissolution rates.

  19. Leaching behavior of copper from waste printed circuit boards with Brnsted acidic ionic liquid

    SciTech Connect

    Huang, Jinxiu; Chen, Mengjun Chen, Haiyan; Chen, Shu; Sun, Quan

    2014-02-15

    Highlights: A Brnsted acidic ILs was used to leach Cu from WPCBs for the first time. The particle size of WPCBs has significant influence on Cu leaching rate. Cu leaching rate was higher than 99% under the optimum leaching conditions. The leaching process can be modeled with shrinking core model, and the E{sub a} was 25.36 kJ/mol. - Abstract: In this work, a Brnsted acidic ionic liquid, 1-butyl-3-methyl-imidazolium hydrogen sulfate ([bmim]HSO{sub 4}), was used to leach copper from waste printed circuit boards (WPCBs, mounted with electronic components) for the first time, and the leaching behavior of copper was discussed in detail. The results showed that after the pre-treatment, the metal distributions were different with the particle size: Cu, Zn and Al increased with the increasing particle size; while Ni, Sn and Pb were in the contrary. And the particle size has significant influence on copper leaching rate. Copper leaching rate was higher than 99%, almost 100%, when 1 g WPCBs powder was leached under the optimum conditions: particle size of 0.10.25 mm, 25 mL 80% (v/v) ionic liquid, 10 mL 30% hydrogen peroxide, solid/liquid ratio of 1/25, 70 C and 2 h. Copper leaching by [bmim]HSO{sub 4} can be modeled with the shrinking core model, controlled by diffusion through a solid product layer, and the kinetic apparent activation energy has been calculated to be 25.36 kJ/mol.

  20. Ionic and Covalent Stabilization of Intermediates and Transition States in Catalysis by Solid Acids

    SciTech Connect

    Deshlahra, Prashant; Carr, Robert T.; Iglesia, Enrique

    2014-10-29

    Reactivity descriptors describe catalyst properties that determine the stability of kinetically relevant transition states and adsorbed intermediates. Theoretical descriptors, such as deprotonation energies (DPE), rigorously account for Brønsted acid strength for catalytic solids with known structure. Here, mechanistic interpretations of methanol dehydration turnover rates are used to assess how charge reorganization (covalency) and electrostatic interactions determine DPE and how such interactions are recovered when intermediates and transition states interact with the conjugate anion in W and Mo polyoxometalate (POM) clusters and gaseous mineral acids. Turnover rates are lower and kinetically relevant species are less stable on Mo than W POM clusters with similar acid strength, and such species are more stable on mineral acids than that predicted from W-POM DPE–reactivity trends, indicating that DPE and acid strength are essential but incomplete reactivity descriptors. Born–Haber thermochemical cycles indicate that these differences reflect more effective charge reorganization upon deprotonation of Mo than W POM clusters and the much weaker reorganization in mineral acids. Such covalency is disrupted upon deprotonation but cannot be recovered fully upon formation of ion pairs at transition states. Predictive descriptors of reactivity for general classes of acids thus require separate assessments of the covalent and ionic DPE components. Here, we describe methods to estimate electrostatic interactions, which, taken together with energies derived from density functional theory, give the covalent and ionic energy components of protons, intermediates, and transition states. In doing so, we provide a framework to predict the reactive properties of protons for chemical reactions mediated by ion-pair transition states.