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Sample records for angew chem int

  1. Q-Chem

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

    Q-Chem Q-Chem Description Q-Chem is a modern object-oriented quantum chemistry program. A variety of electronic structure methods (Hartree-Fock/SCF ,DFT, MPn, Coupled Cluster) are available. Q-Chem also includes a suite of tools for chemical and spectroscopic properties analysis. Some of the methods in Q-Chem run only in serial mode - you cannot use these methods with more than one processor. Check the manual carefuly to see if the method you want to use can take advantage of more than one

  2. Enhancing Amine-Supported Materials for Ambient Air Capture ...

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

    Enhancing Amine-Supported Materials for Ambient Air Capture Previous Next List Julian P. Sculley, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51, 12660-12661 (2012) DOI: 10.1002...

  3. Carbon Dioxide Capture: Prospects for New Materials | Center...

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

    Carbon Dioxide Capture: Prospects for New Materials Previous Next List D. M. D'Alessandro, B. Smit, and J. R. Long, Angew. Chem.-Int. Edit. 49 (35), 6058 (2010) DOI: 10.1002...

  4. Slide 1

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

    Biomass via CFP Work was performed at University of Massachusetts-Amherst Cheng, Y. -T.; Wang, Z. P.; Gilbert, C. J.; Fan, W.; Huber, G. W. Angew. Chem. Int. Ed. 2012, published...

  5. Azobenzene-Functionalized Metal-Organic Polyhedra for the Optically...

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

    of Guest Molecules Previous Next List Jinhee Park, Lin-Bing Sun, Ying-Pin Chen, Zachary Perry and Hong-Cai Zhou, Angew. Chem. Int. Ed., 53, 5842-5846 (2014) DOI: 10.1002...

  6. Chung Hsin Electric Machinery Manufacturing Corporation CHEM...

    Open Energy Info (EERE)

    Chung Hsin Electric Machinery Manufacturing Corporation CHEM Jump to: navigation, search Name: Chung Hsin Electric & Machinery Manufacturing Corporation (CHEM) Place: Taoyuan...

  7. Int'l Smart Grid Action Network | Department of Energy

    Office of Environmental Management (EM)

    Int'l Smart Grid Action Network Int'l Smart Grid Action Network International PDF icon Int'l Smart Grid Action Network More Documents & Publications Clean Energy Ministerial Press Fact Sheet IEA: Tracking Clean Energy Progress: Energy Technology Perspectives 2012 Joint Statement by Energy Ministers of G8, The People's Republic of China, India and The Republic of Korea (June 2008)

  8. PowerChem | Open Energy Information

    Open Energy Info (EERE)

    Name: PowerChem Place: Nevada Sector: Geothermal energy, Services Product: Nevada based chemical engineering organization providing products and services to companies active in...

  9. M.O. Wascko, LSU NuInt05...

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

    O. Wascko, LSU NuInt05 26 September, 2005 MiniBooNE CC + CCQE Ratio M.O. Wascko, LSU J.R. Monroe, Columbia CC interactions Quasi-Elastic (CCQE) Inclusive Single +...

  10. R. Tayloe, Indiana U. NuInt07 1 Measuring...

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

    in neutrino mode, 2003-2005 (POT"protons-on-target") R. Tayloe, Indiana U. NuInt07 7 HARP experiment - pion production in p,Be at 8.9 GeVc from HARP experiment at CERN...

  11. ChemCam sends digital 'thumbs up'

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

    ChemCam sends digital 'thumbs up' ChemCam sends digital 'thumbs up' Members of the team got a digital thumbs up about the operational readiness of their instrument just hours after the rover landed on Martian soil. August 8, 2012 Researchers from LANL and the French Space Agency examine data from the Mars Science Laboratory Curiosity rover from inside the ChemCam Operations Center at NASA's Jet Propulsion Laboratory on Monday, Aug. 6, 2012, less than a day after the rover landed on Mars. The

  12. Mars Rover's ChemCam Instrument gets

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

    Rover's ChemCam Instrument gets sharper vision May 21, 2015 Novel software update fixes autofocus glitch LOS ALAMOS, N.M., May 21, 2015-NASA's Mars Curiosity Rover's "ChemCam" instrument just got a major capability fix, as Los Alamos National Laboratory scientists uploaded a software repair for the auto-focus system on the instrument. "Last November we discovered that a small laser used to focus the ChemCam telescope on its targets had failed" said Roger Wiens, instrument

  13. Uni Chem Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    Korea (Republic)-based firm that manufactures and sells leather for a variety of functions. The firm has a solar subsidiary. References: Uni-Chem Co Ltd1 This article is a...

  14. Mars Rover's ChemCam Instrument gets

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

    at Los Alamos. "Without this laser rangefinder, the ChemCam instrument was somewhat blind. The main laser that creates flashes of plasma when it analyzes rocks and soils up to...

  15. ChemMatCARS Data Archive

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

    ChemMatCARS is a high-brilliance national synchrotron x-ray facility dedicated primarily to static and dynamic condensed matter chemistry and materials science. The scientific focus of the facility includes the study of surface and interfacial properties of liquids and solids as well as their bulk structure at atomic, molecular and mesoscopic length scales with high spatial and energy resolution. Experimental techniques supported by the facility include: 1) Liquid Surface X-ray Scattering; 2) Solid Surface X-ray Scattering; 3) Time-Resolved Crystallography; 4) Micro-Crystal Diffraction; 5) Small and Wide-angle X-ray Scattering. The data archive referenced here contains data for various components along the beamline within the First Optics Enclosure and is intended to be input or parameter data. See the Science Nuggets at http://cars9.uchicago.edu/chemmat/pages/nuggets.html for leads to some of the research conducted at the ChemMatCARS beamline.

  16. ChemCam data abundant at Planetary Conference

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

    ChemCam data abundant at Planetary Conference ChemCam data abundant at Planetary Conference Members of the Mars Science Laboratory Curiosity rover ChemCam team will present more than two dozen posters and talks during the 44th Lunar and Planetary Science Conference. March 15, 2013 This image shows the ChemCam mast unit mounted on the Curiosity rover as it is being prepared in the clean room prior to the launch of NASA's Mars Science Laboratory mission. ChemCam fires a powerful laser that can

  17. Mars Rover's ChemCam Instrument gets sharper vision

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

    Mars Rover's ChemCam Instrument gets sharper vision Mars Rover's ChemCam Instrument gets sharper vision NASA's Mars Curiosity Rover's "ChemCam" instrument just got a major capability fix, as Los Alamos National Laboratory scientists uploaded a software repair for the auto-focus system on the instrument. May 21, 2015 SuperCam builds upon the successful capabilities demonstrated aboard the Curiosity Rover during NASA's current Mars Mission. Yellowjacket is the first rock targeted by

  18. Mars Rover's ChemCam Instrument gets sharper vision

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

    Mars Rover's ChemCam Instrument gets sharper vision Alumni Link: Opportunities, News and Resources for Former Employees Latest Issue:September 2015 all issues All Issues » submit Mars Rover's ChemCam Instrument gets sharper vision NASA's Mars Curiosity Rover's "ChemCam" instrument just got a major capability fix, as Los Alamos National Laboratory scientists uploaded a software repair for the auto-focus system on the instrument. July 1, 2015 Yellowjacket is the first rock targeted by

  19. LANL Researcher Roger Wiens Discusses ChemCam

    ScienceCinema (OSTI)

    Wiens, Roger

    2014-08-12

    Discussion of the ChemCam instrument on the Curiosity Rover that occurred during the NASA press conference prior to launch of the Mars Science Laboratory. The ChemCam instrument was developed by Los Alamos National Laboratory and the French Space Institute. Los Alamos National Laboratory researcher Roger Wiens discusses the instrument on this video. ChemCam uses a laser to "zap" features of the Martian landscape and then uses a spectrometer to gather information about the composition of the sample. ChemCam will help the Curiosity Rover determine whether Mars is or was habitable. The Rover is expected to touch down on the Red Planet on August 5, 2012.

  20. ThermoChem Recovery International Inc | Open Energy Information

    Open Energy Info (EERE)

    Product: ThermoChem Recovery International is commercialising proprietary technology for chemical and energy recovery systems for the pulp and paper industry. References:...

  1. ChemCam all-women's operations day

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

    ChemCam all-women's operations day ChemCam all-women's operations day The Mars Curiosity Rover celebrated one year on the Red Planet, and to commemorate the event, ChemCam team members had an all-women operations day. June 30, 2014 Pictured from left to right are Cindy Little, Agnes Cousin, Nina Lanza, Dot Delapp and Hannah Pagel. Pictured from left to right are Cindy Little, Agnes Cousin, Nina Lanza, Dot Delapp and Hannah Pagel. ChemCam has played a crucial role in many of the rover's

  2. Curiosity Mars Rover's ChemCam | Department of Energy

    Office of Environmental Management (EM)

    Curiosity Mars Rover's ChemCam Curiosity Mars Rover's ChemCam Addthis 1 of 4 Jean-Luc Lacour, an engineer at CEA France, created this artistic rendering of the ChemCam back in 2004. Looking at rocks and soil from a distance, ChemCam fires a high-powered laser to analyze the composition of vaporized materials from areas smaller than 1 millimeter on the surface of Martian rocks and soil as part of NASA's Curiosity rover mission. Image: NASA/JPL-Caltech/Los Alamos National Lab (LANL)/ J.-L. Lacour,

  3. Nanoporous Materials Can Tune the Critical Point of a Pure Substance |

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

    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Nanoporous Materials Can Tune the Critical Point of a Pure Substance Previous Next List Braun, Efrem; Chen, Joseph J.; Schnell, Sondre K.; Lin, Li-Chiang; Reimer, Jeffrey A.; and Smit, Berend. Nanoporous Materials Can Tune the Critical Point of a Pure Substance. Angew. Chem., Int. Ed., 48, 114349-14352 (2015). DOI: 10.1002/anie.201506865 NanoporousMaterialsCanTune Abstract: Molecular simulations and NMR

  4. Photochromic Metal-Organic Frameworks: Reversible Control of Singlet

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

    Oxygen Generation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Photochromic Metal-Organic Frameworks: Reversible Control of Singlet Oxygen Generation Previous Next List Jihye Park, Dawei Feng, Shuai Yuan and Hong-Cai Zhou, Angew. Chem. Int. Ed. 54, 430-435 (2014) DOI: 10.1002/anie.201408862 Abstract: The controlled generation of singlet oxygen is of great interest owing to its potential applications including industrial wastewater treatment,

  5. Polyamine-Tethered Porous Polymer Networks for Carbon Dioxide Capture from

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

    Flue Gas | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Polyamine-Tethered Porous Polymer Networks for Carbon Dioxide Capture from Flue Gas Previous Next List Weigang Lu, Julian P. Sculley, Daqiang Yuan, Rajamani Krishna, Zhangwen Wei, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51, 7480-7484 (2012) DOI: 10.1002/anie.201202176 Thumbnail image of graphical abstract Abstract: The introduction of polyamines in porous polymer networks results in significant

  6. Cooperative Cluster Metalation and Ligand Migration in Zirconium

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

    Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Cluster Metalation and Ligand Migration in Zirconium Metal-Organic Frameworks Previous Next List Yuan, Shuai; Chen, Ying-Pin; Qin, Junsheng; Lu, Weigang; Wang, Xuan; Zhang, Qiang; Bosch, Mathieu; Liu, Tian-Fu; Lian, Xizhen; and Zhou, Hong-Cai. Cooperative Cluster Metalation and Ligand Migration in Zirconium Metal-Organic Frameworks. Angew. Chem., Int. Ed., 54, 14696-14700 (2015). DOI:

  7. 2012 | Center for Gas SeparationsRelevant to Clean Energy Technologies |

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

    Blandine Jerome 2012 Previous Next List Enhancing Amine-Supported Materials for Ambient Air Capture mcontent.gif Julian P. Sculley, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51, 12660-12661 (2012) DOI: 10.1002/anie.201207495 Abstract: A new variable, zirconium content, has been added to the already complex amine-supported porous silica systems used for CO2 capture. ... Continue reading ... Jan 15, 2013 Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide

  8. Mars Rover's ChemCam Instrument gets sharper vision

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

    aboard the Curiosity Rover during NASA's current Mars Mission. Yellowjacket is the first rock targeted by ChemCam after checkout of the auto-focus repair. It is a layered...

  9. KAT Chem GmbH | Open Energy Information

    Open Energy Info (EERE)

    Carbon, Hydro Product: Focused on development of processes for the reforming of hydrocarbons. References: KAT Chem GmbH1 This article is a stub. You can help OpenEI by...

  10. ChemCam data abundant at Planetary Conference

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

    a powerful laser that can sample Martian rocks and provide critical clues about the Red Planet's habitability. This image shows the ChemCam mast unit mounted on the Curiosity...

  11. 38th Int. Conf. on Vacuum UV and X-ray Physics - VUVX2013

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

    38th Int. Conf. on Vacuum UV and X-ray Physics - VUVX2013 http://vuvx2013.ustc.edu.cn/dct/page/1 12-18 July, 2013; Hefei, China

  12. ChromPlot for MicroChemLab

    Energy Science and Technology Software Center (OSTI)

    2001-12-19

    The software entitled "ChromPlot for MicroChemLab" is used to collect, display, and save data from the Sandia National Laboratories chemical analysis system dubbed MicroChemLab. Sensor data is streamed from a MicroChemLab unit into a computer thru RS-232 in a manner that is not amenable to plotting. Also, there is no direct way to start and stop the unit as is. This software rearranges the data into something that can be easily plotted in real-time thenmore » save the data into a text file. In addition, this software provides the users a means to start and stop the hardware. This software was written specifically for MicroChemLab. MicroChemLab data is delivered at 6- 7 pts/sec/channel in a two-channel system for 1-2 min. This code is written around that premise. It is written for Pentium or higher machines running Windows 9x/Me/NT/2000/XP. This software was not developed under the BMS CRADA; it is software we use in the lab for our own testing. Bristol Meyers Squibb (BMS) will use this software for testing an online process monitor based on MicroChemLab. They have not indicated their interest in marketing our device or the software.« less

  13. ChemCam is having a blast on Mars

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

    ChemCam Is Having A Blast On Mars Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:Mar. 2016 all issues All Issues » submit ChemCam is having a blast on Mars Following the successful landing of the Mars rover Curiosity on August 5, Lab scientists and their French counterparts have already begun firing its onboard laser and collecting data. September 1, 2012 dummy image Read our archives Contacts Editor Linda Anderman Email Community

  14. ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol Process...

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

    ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol Process Using High-Impact Feedstock for Commercialization ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol...

  15. ChemCam rock laser for Mars Science Laboratory "Curiosity"

    ScienceCinema (OSTI)

    Wiens, Roger

    2014-08-12

    Los Alamos has a long history of space-related instruments, tied primarily to its role in defense-related treaty verification. Space-based detectors have helped determine the differences between signals from lightning bolts and potential nuclear explosions. LANL-developed gamma-ray detection instruments first revealed the existence of what we now know as gamma-ray bursts, an exciting area of astrophysical research. And the use of LANL instruments on varied space missions continues with such products as the ChemCam rock laser for NASA, shown here. The Engineering Model of the ChemCam Mars Science Laboratory rover instrument arrived at NASA's Jet Propulsion Laboratory on February 6, 2008. The Flight Model was shipped in August, 2010 for installation on the rover at JPL. ChemCam will use imaging and laser-induced breakdown spectroscopy (LIBS) to determine rock and soil compositions on Mars, up to 9 meters from the rover. The engineering model is being integrated into the rover test bed for the development and testing of the rover software. The actual flight model components were concurrently assembled at Los Alamos and in Toulouse, France. The Mars Science Laboratory is scheduled to launch in 2011. Animations courtesy of JPL/NASA.

  16. ChemCam Rock Laser for the Mars Science Laboratory

    ScienceCinema (OSTI)

    LANL

    2009-09-01

    Los Alamos has a long history of space-related instr... Los Alamos has a long history of space-related instruments, tied primarily to its role in defense-related treaty verification. Space-based detectors have helped determine the differences between signals from lightning bolts and potential nuclear explosions. LANL-developed gamma-ray detection instruments first revealed the existence of what we now know as gamma-ray bursts, an exciting area of astrophysical research. And the use of LANL instruments on varied space missions continues with such products as the ChemCam rock laser for NASA, shown here. The Engineering Model of the ChemCam Mars Science Laboratory rover instrument arrived at NASA's Jet Propulsion Laboratory on February 6, 2008. ChemCam will use imaging and laser-induced breakdown spectroscopy (LIBS) to determine rock and soil compositions on Mars, up to 9 meters from the rover. The engineering model is being integrated into the rover test bed for the development and testing of the rover software. The actual flight model components are concurrently being assembled at Los Alamos and in Toulouse, France, and will be delivered to JPL in July. The Mars Science Laboratory is scheduled to launch in 2009. Animations courtesy of JPL/NASA.

  17. Implementing marine organic aerosols into the GEOS-Chem model

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

    Gantt, B.; Johnson, M. S.; Crippa, M.; Prévôt, A. S. H.; Meskhidze, N.

    2015-03-17

    Marine-sourced organic aerosols (MOAs) have been shown to play an important role in tropospheric chemistry by impacting surface mass, cloud condensation nuclei, and ice nuclei concentrations over remote marine and coastal regions. In this work, an online marine primary organic aerosol emission parameterization, designed to be used for both global and regional models, was implemented into the GEOS-Chem (Global Earth Observing System Chemistry) model. The implemented emission scheme improved the large underprediction of organic aerosol concentrations in clean marine regions (normalized mean bias decreases from -79% when using the default settings to -12% when marine organic aerosols are added). Modelmore » predictions were also in good agreement (correlation coefficient of 0.62 and normalized mean bias of -36%) with hourly surface concentrations of MOAs observed during the summertime at an inland site near Paris, France. Our study shows that MOAs have weaker coastal-to-inland concentration gradients than sea-salt aerosols, leading to several inland European cities having >10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions with large contributions of freshly emitted or aged aerosol having distinct physicochemical properties, potentially indicating optimal locations for future field studies.« less

  18. Implementing marine organic aerosols into the GEOS-Chem model

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

    Gantt, B.; Johnson, M. S.; Crippa, M.; Prévôt, A. S. H.; Meskhidze, N.

    2014-09-09

    Marine organic aerosols (MOA) have been shown to play an important role in tropospheric chemistry by impacting surface mass, cloud condensation nuclei, and ice nuclei concentrations over remote marine and coastal regions. In this work, an online marine primary organic aerosol emission parameterization, designed to be used for both global and regional models, was implemented into the GEOS-Chem model. The implemented emission scheme improved the large underprediction of organic aerosol concentrations in clean marine regions (normalized mean bias decreases from -79% when using the default settings to -12% when marine organic aerosols are added). Model predictions were also in goodmore » agreement (correlation coefficient of 0.62 and normalized mean bias of -36%) with hourly surface concentrations of MOA observed during the summertime at an inland site near Paris, France. Our study shows that MOA have weaker coastal-to-inland concentration gradients than sea-salt aerosols, leading to several inland European cities having > 10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions with large contributions of freshly-emitted or aged aerosol having distinct physicochemical properties, potentially indicating optimal locations for future field studies.« less

  19. Hydrogen isotope MicroChemLab FY15.

    SciTech Connect (OSTI)

    Robinson, David; Luo, Weifang; Stewart, Kenneth D.

    2015-09-01

    We have developed a new method to measure the composition of gaseous mixtures of any two hydrogen isotopes, as well as an inert gas component. When tritium is one of those hydrogen isotopes, there is usually some helium present, because the tritium decays to form helium at a rate of about 1% every 2 months. The usual way of measuring composition of these mixtures involves mass spectrometry, which involves bulky, energy-intensive, expensive instruments, including vacuum pumps that can quite undesirably disperse tritium. Our approach uses calorimetry of a small quantity of hydrogen-absorbing material to determine gas composition without consuming or dispersing the analytes. Our work was a proof of principle using a rather large and slow benchtop calorimeter. Incorporation of microfabricated calorimeters, such as those that have been developed in Sandias MicroChemLab program or that are now commercially available, would allow for faster measurements and a smaller instrument footprint.

  20. The ChemLabTM: Bio Detector - Energy Innovation Portal

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

    Startup America Startup America Find More Like This Return to Search The ChemLabTM: Bio Detector Sandia National Laboratories Contact SNL About This Technology Publications: PDF...

  1. ChemCam laser sets its sights on first martian target

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

    First martian target ChemCam laser sets its sights on first martian target The successful capture of ChemCam's first 10 photos sets the stage for the first test bursts of the instrument's rock-zapping laser in the near future. August 17, 2012 Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon, nitrogen, and oxygen, all of which are crucial for life. Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as

  2. Laser-Firing ChemCam Vital to Curiosity Rover's Tour of Mars | Department

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

    of Energy Laser-Firing ChemCam Vital to Curiosity Rover's Tour of Mars Laser-Firing ChemCam Vital to Curiosity Rover's Tour of Mars March 6, 2014 - 2:00pm Addthis 1 of 4 Jean-Luc Lacour, an engineer at CEA France, created this artistic rendering of the ChemCam back in 2004. Looking at rocks and soil from a distance, ChemCam fires a high-powered laser to analyze the composition of vaporized materials from areas smaller than 1 millimeter on the surface of Martian rocks and soil as part of

  3. Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks

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

    with Ultrahigh Stability as Biomimetic Catalysts | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts Previous Next List Dawei Feng, Zhi-Yuan Gu, Jian-Rong Li, Hai-Long Jiang, Zhangwen Wei, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51: 10307-10310 (2012) DOI: 10.1002/anie.201204475 mcontent.gif Abstract: Extremely stable MOFs with different open

  4. Low-Energy Selective Capture of Carbon Dioxide by a Pre-designed Elastic

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

    Single-Molecule Trap | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Low-Energy Selective Capture of Carbon Dioxide by a Pre-designed Elastic Single-Molecule Trap Previous Next List Mario Wriedt, Julian P. Sculley, Andrey A. Yakovenko, Yuguang Ma, Gregory J. Halder, Prof. Dr. Perla B. Balbuena, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51, 9804-9808 (2012) DOI: 10.1002/anie.201202992 Thumbnail image of graphical abstract Abstract: Easy activation of the

  5. Symmetry-Guided Synthesis of Highly Porous Metal-Organic Frameworks with

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

    Fluorite Topology | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Symmetry-Guided Synthesis of Highly Porous Metal-Organic Frameworks with Fluorite Topology Previous Next List Muwei Zhang, Ying-Pin Chen, Mathieu Bosch, Thomas Gentle III, Kecheng Wang, Dawei Feng, Zhiyong U. Wang, Hong-Cai Zhou, Angew. Chem. Int. Ed., 53, 815-818 (2014) DOI: 10.1002/anie.201307340 nfig001.gif Abstract: Two stable, non-interpenetrated MOFs, PCN-521 and PCN-523, were

  6. Understanding CO2 Dynamics in Metal-Organic Frameworks wit Open Metal

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

    Sites | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome CO2 Dynamics in Metal-Organic Frameworks wit Open Metal Sites Previous Next List Li-Chiang Lin, Jihan Kim, Xueqian Kong, Eric Scott, Thomas M. McDonald, Jeffrey R. Long, Jeffrey A. Reimer, and Berend Smit, Angew. Chem. Int. Ed.,52, 4410-4413 (2013) DOI: 10.1002/anie.201300446 mcontent.gif Abstract: Metal-organic frameworks such as Mg-MOF-74 possess open metal sites that interact strongly with CO2.

  7. "Heterogeneity within Order" in Metal-Organic Frameworks | Center for

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

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome "Heterogeneity within Order" in Metal-Organic Frameworks Previous Next List Hiroyasu Furukawa, Ulrich Müller and Omar M. Yaghi, Angew. Chem. Int. Ed. 54, 3417-3430 (2015) DOI: 10.1002/anie.201410252 15-heteromofs Abstract: Metal-organic frameworks (MOFs) are constructed by linking inorganic units with organic linkers to make extended networks. Though more than 20 000 MOF structures have been reported most of

  8. A Highly Porous and Robust (3,3,4)-Connected Metal-Organic Framework

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

    Assembled with a 90° Bridging-Angle Embedded Octacarboxylate Ligand | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Highly Porous and Robust (3,3,4)-Connected Metal-Organic Framework Assembled with a 90° Bridging-Angle Embedded Octacarboxylate Ligand Previous Next List Weigang Lu, Daqiang Yuan, Trevor A. Makal, Jian-Rong Li, Dr. Hong-Cai Zhou, Angew. Chem. Int. Ed., 51: 1580-1584 (2012) DOI: 10.1002/anie.201106615 Thumbnail image of graphical abstract

  9. ChemLabBox for SnifferStars

    Energy Science and Technology Software Center (OSTI)

    2002-01-24

    The software entitled "ChemLabBox for SnifferStars" is used to collect, display, and save data from the Sandia National Laboratories chemical analysis system dubbed SnifferStar. Sensor data is streamed from a SnifferStar unit into a computer thru RS-232 in a manner that is not amendable to plotting. Also, there is no direct way to start and stop the unit as is. This software rearranges the data into something that can be easily plotted in real-time thenmore »saves the data into a text fild. In addition, this software provides the users a means to start and stop the hardware. This software was written specifically for SnifferStar. SnifferStar data is delivered at a very fast rate but for a short period of time. This software is written around that premise. It is written for Pentium or higher machines running Windows 95/98/ME/NT/2000/XP. Lockheed Martin is interested in using it for testing SnifferStar units before deployment. To date they have not indicated their intent to deliver the code either in part or whole as part of their product.« less

  10. Quick Fix Gives Mars Rover's ChemCam Sharper Vision | Department of

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

    Energy Quick Fix Gives Mars Rover's ChemCam Sharper Vision Quick Fix Gives Mars Rover's ChemCam Sharper Vision June 12, 2015 - 3:08pm Addthis This self-portrait of NASA's Curiosity Mars rover shows the vehicle at the "Mojave" site on Mount Sharp, combining dozens of images taken in January 2015. The circle visible at the top of the rover's mast is part of the ChemCam instrument developed in part by Los Alamos National Laboratory. | Photo courtesy of NASA/JPL-Caltech/MSSS This

  11. The ChemCam instrument for the 2011 Mars science laboratory mission: system

    Office of Scientific and Technical Information (OSTI)

    requirements and performance (Conference) | SciTech Connect The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance Citation Details In-Document Search Title: The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance Authors: Wiens, Roger C [1] ; Barraclough, Bruce L [1] ; Bender, Steve C [1] ; Perez, R. [2] ; Cousin, A. [3] ; Cros, A. [3] ; De Flores, L. [4] ; Leroch, N. [5] ; Maurice, S. [3] ;

  12. The ChemCam instrument for the 2011 Mars science laboratory mission: system

    Office of Scientific and Technical Information (OSTI)

    requirements and performance (Conference) | SciTech Connect The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance Citation Details In-Document Search Title: The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is

  13. Calibrating the ChemCam LIBS for carbonate minerals on Mars

    SciTech Connect (OSTI)

    Wiens, Roger C; Clegg, Samuel M; Ollila, Ann M; Barefield, James E; Lanza, Nina; Newsom, Horton E

    2009-01-01

    The ChemCam instrument suite on board the NASA Mars Science Laboratory (MSL) rover includes the first LIBS instrument for extraterrestrial applications. Here we examine carbonate minerals in a simulated martian environment using the LIDS technique in order to better understand the in situ signature of these materials on Mars. Both chemical composition and rock type are determined using multivariate analysis (MVA) techniques. Composition is confirmed using scanning electron microscopy (SEM) techniques. Our initial results suggest that ChemCam can recognize and differentiate between carbonate materials on Mars.

  14. ChemCam contributions to the Lunar and Planetary Science Conference

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect ChemCam contributions to the Lunar and Planetary Science Conference Citation Details In-Document Search Title: ChemCam contributions to the Lunar and Planetary Science Conference × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy science and

  15. ChemCam contributions to the Lunar and Planetary Science Conference

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect ChemCam contributions to the Lunar and Planetary Science Conference Citation Details In-Document Search Title: ChemCam contributions to the Lunar and Planetary Science Conference Authors: Forni, O. [1] ; Mangold, N [2] ; Ollila, Ann M. [3] ; Anderson, R. [4] ; Berger, G. [5] ; Bridges, J. [6] ; Clegg, Samuel M. [3] ; Cousin, A. [1] ; Dietrich, W. [7] ; Dromart, G. [8] ; Gupta, S. [9] ; Lewin, E. [10] ; Fabre, C. [11] ; Gasnault, O. [1] ; Herkenhoff, K. [12] ;

  16. Calibrating the ChemCam LIBS for Carbonate Minerals on Mars

    DOE R&D Accomplishments [OSTI]

    Wiens, Roger C.; Clegg, Samuel M.; Ollila, Ann M.; Barefield, James E.; Lanza, Nina; Newsom, Horton E.

    2009-01-01

    The ChemCam instrument suite on board the NASA Mars Science Laboratory (MSL) rover includes the first LIBS instrument for extraterrestrial applications. Here we examine carbonate minerals in a simulated martian environment using the LIDS technique in order to better understand the in situ signature of these materials on Mars. Both chemical composition and rock type are determined using multivariate analysis (MVA) techniques. Composition is confirmed using scanning electron microscopy (SEM) techniques. Our initial results suggest that ChemCam can recognize and differentiate between carbonate materials on Mars.

  17. ChemCam for Mars Science Laboratory rover, undergoing pre-flight testing

    ScienceCinema (OSTI)

    None

    2014-08-12

    Los Alamos National Laboratory and partners developed a laser instrument, ChemCam, that will ride on the elevated mast of the Mars Science Laboratory rover Curiosity. The system allows Curiosity to "zap" rocks from a distance, reading their chemical composition through spectroscopic analysis. In this video, laboratory shaker-table testing of the instrument ensures that all of its components are solidly attached and resistant to damage from the rigors of launch, travel and landing.

  18. ChemCam follows the 'Yellowknife Road' to Martian wet area

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

    'Yellowknife Road' to martian wet area ChemCam follows the 'Yellowknife Road' to martian wet area Researchers have tracked a trail of minerals that point to the prior presence of water at the Curiosity rover site on Mars. January 15, 2013 The Mars Science Laboratory's Curiosity Rover recently took this photo of the Martian landscape looking toward Mount Sharp while on its way toward Yellowknife Bay-an area where researchers have found minerals indicating the past presence of water. (NASA Photo)

  19. Laboratory Curiosity rover ChemCam team, including Los Alamos National Laboratory

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

    first analyses yield beautiful results August 23, 2012 Curiosity beams back strong, clear data from 'scour' area on Martian surface LOS ALAMOS, NEW MEXICO, August 23, 2012-Members of the Mars Science Laboratory Curiosity rover ChemCam team, including Los Alamos National Laboratory scientists, squeezed in a little extra target practice after zapping the first fist-sized - 2 - rock that was placed in the laser's crosshairs last weekend.Much to the delight of the scientific team, the laser

  20. Section II INT

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

    rejected Items without disclosing the corrective actions taken. IN15 LANGUAGE The English language version of this Contract shall be controlling. All deliverables under this...

  1. Section II INT

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

    rejected Items without disclosing the corrective actions taken. IN14 LANGUAGE The English language version of this Contract shall be controlling. All deliverables under this...

  2. Section II INT

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

    (11-03-2010) Title: Standard Terms & Conditions for International Commercial Transactions Owner: Procurement Policy & Quality Dept Initial Release Date: 11310 Page 1 of 8...

  3. A New WRF-Chem Treatment for Studying Regional Scale Impacts of Cloud-Aerosol Interactions in Parameterized Cumuli

    SciTech Connect (OSTI)

    Berg, Larry K.; Shrivastava, ManishKumar B.; Easter, Richard C.; Fast, Jerome D.; Chapman, Elaine G.; Liu, Ying

    2015-01-01

    A new treatment of cloud-aerosol interactions within parameterized shallow and deep convection has been implemented in WRF-Chem that can be used to better understand the aerosol lifecycle over regional to synoptic scales. The modifications to the model to represent cloud-aerosol interactions include treatment of the cloud dropletnumber mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convective cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. Thesechanges have been implemented in both the WRF-Chem chemistry packages as well as the Kain-Fritsch cumulus parameterization that has been modified to better represent shallow convective clouds. Preliminary testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS) as well as a high-resolution simulation that does not include parameterized convection. The simulation results are used to investigate the impact of cloud-aerosol interactions on the regional scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column integrated BC can be as large as -50% when cloud-aerosol interactions are considered (due largely to wet removal), or as large as +35% for sulfate in non-precipitating conditions due to the sulfate production in the parameterized clouds. The modifications to WRF-Chem version 3.2.1 are found to account for changes in the cloud drop number concentration (CDNC) and changes in the chemical composition of cloud-drop residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to WRF-Chem version 3.5, and it is anticipated that they will be included in a future public release of WRF-Chem.

  4. Preliminary performance assessment of biotoxin detection for UWS applications using a MicroChemLab device.

    SciTech Connect (OSTI)

    VanderNoot, Victoria A.; Haroldsen, Brent L.; Renzi, Ronald F.; Shokair, Isaac R.

    2010-03-01

    In a multiyear research agreement with Tenix Investments Pty. Ltd., Sandia has been developing field deployable technologies for detection of biotoxins in water supply systems. The unattended water sensor or UWS employs microfluidic chip based gel electrophoresis for monitoring biological analytes in a small integrated sensor platform. This instrument collects, prepares, and analyzes water samples in an automated manner. Sample analysis is done using the {mu}ChemLab{trademark} analysis module. This report uses analysis results of two datasets collected using the UWS to estimate performance of the device. The first dataset is made up of samples containing ricin at varying concentrations and is used for assessing instrument response and detection probability. The second dataset is comprised of analyses of water samples collected at a water utility which are used to assess the false positive probability. The analyses of the two sets are used to estimate the Receiver Operating Characteristic or ROC curves for the device at one set of operational and detection algorithm parameters. For these parameters and based on a statistical estimate, the ricin probability of detection is about 0.9 at a concentration of 5 nM for a false positive probability of 1 x 10{sup -6}.

  5. WRF-Chem Simulations of Aerosols and Anthropogenic Aerosol Radiative Forcing in East Asia

    SciTech Connect (OSTI)

    Gao, Yi; Zhao, Chun; Liu, Xiaohong; Zhang, Meigen; Leung, Lai-Yung R.

    2014-08-01

    This study aims to provide a first comprehensive evaluation of WRF-Chem for modeling aerosols and anthropogenic aerosol radiative forcing (RF) over East Asia. Several numerical experiments were conducted from November 2007 to December 2008. Comparison between model results and observations shows that the model can generally reproduce the observed spatial distributions of aerosol concentration, aerosol optical depth (AOD) and single scattering albedo (SSA) from measurements at different sites, including the relatively higher aerosol concentration and AOD over East China and the relatively lower AOD over Southeast Asia, Korean, and Japan. The model also depicts the seasonal variation and transport of pollutions over East Asia. Particulate matter of 10 um or less in the aerodynamic diameter (PM10), black carbon (BC), sulfate (SO42-), nitrate (NO3-) and ammonium (NH4+) concentrations are higher in spring than other seasons in Japan due to the pollutant transport from polluted area of East Asia. AOD is high over Southwest and Central China in winter, spring and autumn and over North China in summer while is low over South China in summer due to monsoon precipitation. SSA is lowest in winter and highest in summer. The model also captures the dust events at the Zhangye site in the semi-arid region of China. Anthropogenic aerosol RF is estimated to range from -5 to -20 W m-2 over land and -20 to -40 W m-2 over ocean at the top of atmosphere (TOA), 5 to 30 W m-2 in the atmosphere (ATM) and -15 to -40 W m-2 at the bottom (BOT). The warming effect of anthropogenic aerosol in ATM results from BC aerosol while the negative aerosol RF at TOA is caused by scattering aerosols such as SO4 2-, NO3 - and NH4+. Positive BC RF at TOA compensates 40~50% of the TOA cooling associated with anthropogenic aerosol.

  6. Microsoft PowerPoint - Datskos_2015_UserProjectHighlight_AngewChemie

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

    In this work, we exploit the emulsion droplet8d based growth of silica structures to synthesize a wide range of microstructures made of pure silica (silicon dioxide; SiO2) and hybrid microstructures made of silica and titania (titanium dioxide; TiO2). This approach provides a high degree of control of (1) shape, (2) size, (3) number (less or more), and (4) composition of different parts of the structures. Starting from a spherical particle, we synthesized complex SiO2 structures such as central

  7. Microsoft PowerPoint - Ma_2015_CNMSStaffScienceHighlight_AngewChemie.pptx [Read-Only]

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

    structural stability of lithium lanthanum zirconium oxide (LLZO) garnet in aqueous media has been unveiled by using the state-of-the-art scanning transmission electron microscopy. The use of aqueous catholyte in a high-energy lithium-air battery requires a lithium-stable solid electrolyte that can be used in a broad pH range. Although observed in experiments, the structural stability of LLZO in neutral and strong basic aqueous environments has not been confirmed at the atomic level. In this

  8. Microsoft PowerPoint - Li_2015_UserProjectHighlight_AngewChemie...

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

    A coordinated synthesis, characterization, modeling, and theory development enable ... DE-AC02- 05CH11231. L.B. acknowledges the financial support of the National Secretariat of ...

  9. Twelve-month, 12 km resolution North American WRF-Chem v3.4 air quality simulation: performance evaluation

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

    Tessum, C. W.; Hill, J. D.; Marshall, J. D.

    2015-04-07

    We present results from and evaluate the performance of a 12-month, 12 km horizontal resolution year 2005 air pollution simulation for the contiguous United States using the WRF-Chem (Weather Research and Forecasting with Chemistry) meteorology and chemical transport model (CTM). We employ the 2005 US National Emissions Inventory, the Regional Atmospheric Chemistry Mechanism (RACM), and the Modal Aerosol Dynamics Model for Europe (MADE) with a volatility basis set (VBS) secondary aerosol module. Overall, model performance is comparable to contemporary modeling efforts used for regulatory and health-effects analysis, with an annual average daytime ozone (O3) mean fractional bias (MFB) of 12%more » and an annual average fine particulate matter (PM2.5) MFB of −1%. WRF-Chem, as configured here, tends to overpredict total PM2.5 at some high concentration locations and generally overpredicts average 24 h O3 concentrations. Performance is better at predicting daytime-average and daily peak O3 concentrations, which are more relevant for regulatory and health effects analyses relative to annual average values. Predictive performance for PM2.5 subspecies is mixed: the model overpredicts particulate sulfate (MFB = 36%), underpredicts particulate nitrate (MFB = −110%) and organic carbon (MFB = −29%), and relatively accurately predicts particulate ammonium (MFB = 3%) and elemental carbon (MFB = 3%), so that the accuracy in total PM2.5 predictions is to some extent a function of offsetting over- and underpredictions of PM2.5 subspecies. Model predictive performance for PM2.5 and its subspecies is in general worse in winter and in the western US than in other seasons and regions, suggesting spatial and temporal opportunities for future WRF-Chem model development and evaluation.« less

  10. Twelve-month, 12 km resolution North American WRF-Chem v3.4 air quality simulation: performance evaluation

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

    Tessum, C. W.; Hill, J. D.; Marshall, J. D.

    2014-12-02

    We present results from and evaluate the performance of a 12 month, 12 km horizontal resolution air pollution simulation for the contiguous United States using the WRF-Chem (Weather Research and Forecasting with Chemistry) meteorology and chemical transport model (CTM). We employ the 2005 US National Emissions Inventory, the Regional Atmospheric Chemistry Mechanism (RACM), and the Modal Aerosol Dynamics Model for Europe (MADE) with a Volatility Basis Set (VBS) secondary aerosol module. Overall, model performance is comparable to contemporary models used for regulatory and health-effects analysis, with an annual average daytime ozone (O3) mean fractional bias (MFB) of 12% and anmore » annual average fine particulate matter (PM2.5) MFB of −1%. WRF-Chem, as configured here, tends to overpredict total PM2.5 at some high concentration locations, and generally overpredicts average 24 h O3 concentrations, with better performance at predicting average daytime and daily peak O3 concentrations. Predictive performance for PM2.5 subspecies is mixed: the model overpredicts particulate sulfate (MFB = 65%), underpredicts particulate nitrate (MFB = −110%) and organic carbon (MFB = −65%), and relatively accurately predicts particulate ammonium (MFB = 3%) and elemental carbon (MFB = 3%), so that the accuracy in total PM2.5 predictions is to some extent a function of offsetting over- and underpredictions of PM2.5 subspecies. Model predictive performance for PM2.5 and its subspecies is in general worse in winter and in the western US than in other seasons and regions, suggesting spatial and temporal opportunities for future WRF-Chem model development and evaluation.« less

  11. Implementation and evaluation of online gas-phase chemistry within a regional climate model (RegCM-CHEM4)

    SciTech Connect (OSTI)

    Shalaby, A. K.; Zakey, A. S.; Tawfik, A. B.; Solmon, F.; Giorgi, Filippo; Stordal, F.; Sillman, S.; Zaveri, Rahul A.; Steiner, A. L.

    2012-05-22

    The RegCM-CHEM4 is a new online climate-chemistry model based on the International Centre for Theoretical Physics (ICTP) regional climate model (RegCM4). Tropospheric gas-phase chemistry is integrated into the climate model using the condensed version of the Carbon Bond Mechanism (CBM-Z; Zaveri and Peters, 1999) with a fast solver based on radical balances. We evaluate the model over Continental Europe for two different time scales: (1) an event-based analysis of the ozone episode associated with the heat wave of August 2003 and (2) a climatological analysis of a sixyear simulation (2000-2005). For the episode analysis, model simulations show good agreement with European Monitoring and Evaluation Program (EMEP) observations of hourly ozone over different regions in Europe and capture ozone concentrations during and after the August 2003 heat wave event. For long-term climate simulations, the model captures the seasonal cycle of ozone concentrations with some over prediction of ozone concentrations in non-heat wave summers. Overall, the ozone and ozone precursor evaluation shows the feasibility of using RegCM-CHEM4 for decadal-length simulations of chemistry-climate interactions.

  12. IntDataRevs.doc

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

    Interim Data Changes in the Short-term Energy Outlook Data System Related to Electric Power Sector and Natural Gas Demand Data Revisions Beginning with the December 2002 issue of EIA's Short-Term Energy Outlook (STEO), electricity generation and related fuel consumption totals will be presented on a basis that is consistent with the definitions and aggregates used in the 2001 edition of EIA's Annual Energy Review (AER). Particularly affected by these changes are the demand and balancing item

  13. Comment on 'The diatomic dication CuZn{sup 2+} in the gas phase' [J. Chem. Phys. 135, 034306 (2011)

    SciTech Connect (OSTI)

    Fiser, Jiri; Diez, Reinaldo Pis; Franzreb, Klaus; Alonso, Julio A.

    2013-02-21

    In this Comment, the density functional theory (DFT) calculations carried out by Diez et al. [J. Chem. Phys. 135, 034306 (2011)] are revised within the framework of the coupled-cluster single double triple method. These more sophisticated calculations allow us to show that the {sup 2}{Sigma}{sup +} electronic ground state of CuZn{sup 2+}, characterized as the metastable ground state by DFT calculations, is a repulsive state instead. The {sup 2}{Delta} and {sup 2}{Pi} metastable states of CuZn{sup 2+}, on the other hand, should be responsible for the formation mechanism of the dication through the near-resonant electron transfer CuZn{sup +}+ Ar{sup +}{yields} CuZn{sup 2+}+ Ar reaction.

  14. The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc., OAS-RA-13-10

    Energy Savers [EERE]

    Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc. OAS-RA-13-10 February 2013 Department of Energy Washington, DC 20585 February 8, 2013 MEMORANDUM FOR THE UNDER SECRETARY OF ENERGY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Special Report on "The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc." BACKGROUND The Department of Energy's Vehicle Technologies Program was

  15. Assessing the CAM5 Physics Suite in the WRF-Chem Model: Implementation, Resolution Sensitivity, and a First Evaluation for a Regional Case Study

    SciTech Connect (OSTI)

    Ma, Po-Lun; Rasch, Philip J.; Fast, Jerome D.; Easter, Richard C.; Gustafson, William I.; Liu, Xiaohong; Ghan, Steven J.; Singh, Balwinder

    2014-05-06

    A suite of physical parameterizations (deep and shallow convection, turbulent boundary layer, aerosols, cloud microphysics, and cloud fraction) from the global climate model Community Atmosphere Model version 5.1 (CAM5) has been implemented in the regional model Weather Research and Forecasting with chemistry (WRF-Chem). A downscaling modeling framework with consistent physics has also been established in which both global and regional simulations use the same emissions and surface fluxes. The WRF-Chem model with the CAM5 physics suite is run at multiple horizontal resolutions over a domain encompassing the northern Pacific Ocean, northeast Asia, and northwest North America for April 2008 when the ARCTAS, ARCPAC, and ISDAC field campaigns took place. These simulations are evaluated against field campaign measurements, satellite retrievals, and ground-based observations, and are compared with simulations that use a set of common WRF-Chem Parameterizations. This manuscript describes the implementation of the CAM5 physics suite in WRF-Chem provides an overview of the modeling framework and an initial evaluation of the simulated meteorology, clouds, and aerosols, and quantifies the resolution dependence of the cloud and aerosol parameterizations. We demonstrate that some of the CAM5 biases, such as high estimates of cloud susceptibility to aerosols and the underestimation of aerosol concentrations in the Arctic, can be reduced simply by increasing horizontal resolution. We also show that the CAM5 physics suite performs similarly to a set of parameterizations commonly used in WRF-Chem, but produces higher ice and liquid water condensate amounts and near-surface black carbon concentration. Further evaluations that use other mesoscale model parameterizations and perform other case studies are needed to infer whether one parameterization consistently produces results more consistent with observations.

  16. A new WRF-Chem treatment for studying regional-scale impacts of cloud processes on aerosol and trace gases in parameterized cumuli

    SciTech Connect (OSTI)

    Berg, L. K.; Shrivastava, M.; Easter, R. C.; Fast, J. D.; Chapman, E. G.; Liu, Y.; Ferrare, R. A.

    2015-02-24

    A new treatment of cloud effects on aerosol and trace gases within parameterized shallow and deep convection, and aerosol effects on cloud droplet number, has been implemented in the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) version 3.2.1 that can be used to better understand the aerosol life cycle over regional to synoptic scales. The modifications to the model include treatment of the cloud droplet number mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convective cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. These changes have been implemented in both the WRF-Chem chemistry packages as well as the Kain–Fritsch (KF) cumulus parameterization that has been modified to better represent shallow convective clouds. Testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS). The simulation results are used to investigate the impact of cloud–aerosol interactions on regional-scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column-integrated BC can be as large as –50% when cloud–aerosol interactions are considered (due largely to wet removal), or as large as +40% for sulfate under non-precipitating conditions due to sulfate production in the parameterized clouds. The modifications to WRF-Chem are found to account for changes in the cloud droplet number concentration (CDNC) and changes in the chemical composition of cloud droplet residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to the latest version of WRF-Chem, and it is anticipated that they will be included in a future public release of WRF-Chem.

  17. A new WRF-Chem treatment for studying regional-scale impacts of cloud processes on aerosol and trace gases in parameterized cumuli

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

    Berg, L. K.; Shrivastava, M.; Easter, R. C.; Fast, J. D.; Chapman, E. G.; Liu, Y.; Ferrare, R. A.

    2015-02-24

    A new treatment of cloud effects on aerosol and trace gases within parameterized shallow and deep convection, and aerosol effects on cloud droplet number, has been implemented in the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) version 3.2.1 that can be used to better understand the aerosol life cycle over regional to synoptic scales. The modifications to the model include treatment of the cloud droplet number mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convectivemore » cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. These changes have been implemented in both the WRF-Chem chemistry packages as well as the Kain–Fritsch (KF) cumulus parameterization that has been modified to better represent shallow convective clouds. Testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS). The simulation results are used to investigate the impact of cloud–aerosol interactions on regional-scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column-integrated BC can be as large as –50% when cloud–aerosol interactions are considered (due largely to wet removal), or as large as +40% for sulfate under non-precipitating conditions due to sulfate production in the parameterized clouds. The modifications to WRF-Chem are found to account for changes in the cloud droplet number concentration (CDNC) and changes in the chemical composition of cloud droplet residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to the latest version of WRF-Chem, and it is anticipated that they will be included in a future public release of WRF-Chem.« less

  18. Comment on “Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set” [J. Chem. Phys. 139, 114104 (2013)

    SciTech Connect (OSTI)

    Brandbyge, Mads

    2014-05-07

    In a recent paper Reuter and Harrison [J. Chem. Phys. 139, 114104 (2013)] question the widely used mean-field electron transport theories, which employ nonorthogonal localized basis sets. They claim these can violate an “implicit decoupling assumption,” leading to wrong results for the current, different from what would be obtained by using an orthogonal basis, and dividing surfaces defined in real-space. We argue that this assumption is not required to be fulfilled to get exact results. We show how the current/transmission calculated by the standard Greens function method is independent of whether or not the chosen basis set is nonorthogonal, and that the current for a given basis set is consistent with divisions in real space. The ambiguity known from charge population analysis for nonorthogonal bases does not carry over to calculations of charge flux.

  19. InteliSolar | Open Energy Information

    Open Energy Info (EERE)

    Santa Clara, California Zip: 95054 Region: Bay Area Sector: Efficiency, Renewable Energy, Services, Solar, Wind energy Product: Renewable Energy Systems using solar or wind...

  20. A. Sobiczewski, Int. Symp. on SHN,

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

    models, one finds (A.S., Yu.A. Litvinov, PRC 89, 024311 (2014)): Rms (keV) Model DZ FRDM LSD HFB21 WS3+ WS4+ HN (Nnucl) Z,N 8 394 654 608 572 248 170 - 2353 Z 82, N 126...

  1. Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility

    SciTech Connect (OSTI)

    Rousseaux, C.; Huser, G.; Loiseau, P.; Casanova, M.; Alozy, E.; Villette, B.; Wrobel, R.; Henry, O.; Raffestin, D.

    2015-02-15

    Experimental investigation of stimulated Raman (SRS) and Brillouin (SBS) scattering have been obtained at the Ligne-d'Intégration-Laser facility (LIL, CEA-Cesta, France). The parametric instabilities (LPI) are driven by firing four laser beamlets (one quad) into millimeter size, gas-filled hohlraum targets. A quad delivers energy on target of 15 kJ at 3ω in a 6-ns shaped laser pulse. The quad is focused by means of 3ω gratings and is optically smoothed with a kinoform phase plate and with smoothing by spectral dispersion-like 2 GHz and/or 14 GHz laser bandwidth. Open- and closed-geometry hohlraums have been used, all being filled with 1-atm, neo-pentane (C{sub 5}H{sub 12}) gas. For SRS and SBS studies, the light backscattered into the focusing optics is analyzed with spectral and time resolutions. Near-backscattered light at 3ω and transmitted light at 3ω are also monitored in the open geometry case. Depending on the target geometry (plasma length and hydrodynamic evolution of the plasma), it is shown that, at maximum laser intensity about 9 × 10{sup 14} W/cm{sup 2}, Raman reflectivity noticeably increases up to 30% in 4-mm long plasmas while SBS stays below 10%. Consequently, laser transmission through long plasmas drops to about 10% of incident energy. Adding 14 GHz bandwidth to the laser always reduces LPI reflectivities, although this reduction is not dramatic.

  2. BioChem Cover story

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

    LSU Researcher discovers a key step in photosynthesis at CAMD, earns cover on Journal of Biological Chemistry Photosynthesis is the process that plants use to convert light into chemical energy for plant growth. This process produces all of the oxygen present on earth and virtually all of the carbohydrate which lies at the base of all food chains. Photosystem II is a protein complex that captures light and begins the first step in this biological chemistry: breaking apart water molecules. At the

  3. WRF-Chem model predictions of the regional impacts of N2O5 heterogeneous processes on night-time chemistry over north-western Europe

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

    Lowe, Douglas; Archer-Nicholls, Scott; Morgan, Will; Allan, James D.; Utembe, Steve; Ouyang, Bin; Aruffo, Eleonora; Le Breton, Michael; Zaveri, Rahul A.; di Carlo, Piero; et al

    2015-02-09

    Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N2O5) heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a~modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem) model simulations, run with a detailed volatile organic compound (VOC) gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlationsmore » with measurements of 0.7–0.9 for NO2 and O3). However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6). Sulfate mass loadings were particularly low (modelled means of 0.5–0.7 μg kg−1air, compared with measurements of 1.0–1.5 μg kg−1air). Two flights from the campaign were used as test cases – one with low relative humidity (RH) (60–70%), the other with high RH (80–90%). N2O5 heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO3 and N2O5. When the model failed to capture atmospheric RH correctly, the modelled NO3 and N2O5 mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles. The night-time NO3 oxidation of VOCs across the whole region was found to be 100–300 times slower than the daytime OH oxidation of these compounds. The difference in contribution was less for alkenes (× 80) and comparable for dimethylsulfide (DMS). However the suppression of NO3 mixing ratios across the domain by N2O5 heterogeneous chemistry has only a very slight, negative, influence on this oxidative capacity. The influence on regional particulate nitrate mass loadings is stronger. Night-time N2O5 heterogeneous chemistry maintains the production of particulate nitrate within polluted regions: when this process is taken into consideration, the daytime peak (for the 95th percentile) of PM10 nitrate mass loadings remains around 5.6 μg kg−1air, but the night-time minimum increases from 3.5 to 4.6 μg kg−1air. The sustaining of higher particulate mass loadings through the night by this process improves model skill at matching measured aerosol nitrate diurnal cycles and will negatively impact on regional air quality, requiring this process to be included in regional models.« less

  4. Microsoft Word - Int_blends_Rpt1_Updated.doc

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

    NREL/TP-540-43543 ORNL/TM-2008/117 Effects of Intermediate Ethanol Blends on Legacy Vehicles and Small Non-Road Engines, Report 1 - Updated February 2009 Prepared by Keith Knoll Brian West Wendy Clark Ronald Graves John Orban Steve Przesmitzki Timothy Theiss DOCUMENT AVAILABILITY Reports produced after January 1, 1996, are generally available free via the U.S. Department of Energy (DOE) Information Bridge. Web site http://www.osti.gov/bridge Reports produced before January 1, 1996, may be

  5. EIS-0283-S2-IntActDet-2011.pdf

    Office of Environmental Management (EM)

  6. Electro Chem Technic | Open Energy Information

    Open Energy Info (EERE)

    Place: Oxford, United Kingdom Zip: OX3 7LA Product: The company makes and sells a novel small fuel cell. They sell as well a wide range of educational material about fuel...

  7. LG Chem Ltd | Open Energy Information

    Open Energy Info (EERE)

    of petrochemical goods, plastics, flooring and automobile parts. They manufacture Lithium ion batteries. Coordinates: 37.557121, 126.977379 Show Map Loading map......

  8. ARM - Campaign Instrument - wrf-chem

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

    Derived Quantities and Models, Surface Meteorology Campaigns Carbonaceous Aerosol and Radiation Effects Study (CARES) - Surface Meteorological Sounding Download Data Off...

  9. WRF-Chem model predictions of the regional impacts of N2O5 heterogeneous processes on night-time chemistry over north-western Europe

    SciTech Connect (OSTI)

    Lowe, Douglas; Archer-Nicholls, Scott; Morgan, Will; Allan, James D.; Utembe, Steve; Ouyang, Bin; Aruffo, Eleonora; Le Breton, Michael; Zaveri, Rahul A.; di Carlo, Piero; Percival, Carl; Coe, H.; Jones, Roderic L.; McFiggans, Gordon

    2015-02-09

    Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N2O5) heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a~modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem) model simulations, run with a detailed volatile organic compound (VOC) gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlations with measurements of 0.70.9 for NO2 and O3). However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6). Sulfate mass loadings were particularly low (modelled means of 0.50.7 ?g kg?1air, compared with measurements of 1.01.5 ?g kg?1air). Two flights from the campaign were used as test cases one with low relative humidity (RH) (6070%), the other with high RH (8090%). N2O5 heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO3 and N2O5. When the model failed to capture atmospheric RH correctly, the modelled NO3 and N2O5 mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles.

    The night-time NO3 oxidation of VOCs across the whole region was found to be 100300 times slower than the daytime OH oxidation of these compounds. The difference in contribution was less for alkenes ( 80) and comparable for dimethylsulfide (DMS). However the suppression of NO3 mixing ratios across the domain by N2O5 heterogeneous chemistry has only a very slight, negative, influence on this oxidative capacity. The influence on regional particulate nitrate mass loadings is stronger. Night-time N2O5 heterogeneous chemistry maintains the production of particulate nitrate within polluted regions: when this process is taken into consideration, the daytime peak (for the 95th percentile) of PM10 nitrate mass loadings remains around 5.6 ?g kg?1air, but the night-time minimum increases from 3.5 to 4.6 ?g kg?1air. The sustaining of higher particulate mass loadings through the night by this process improves model skill at matching measured aerosol nitrate diurnal cycles and will negatively impact on regional air quality, requiring this process to be included in regional models.

  10. Microsoft PowerPoint - Schwartz_ChemSusChem-2013.pptx

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

    The utilization of carbon-based materials for catalysis, both as a support or as an active phase, has been growing in importance as a variety of well-defined nanostructured carbons are being developed.[1] From an environmental standpoint, metal-free carbon based catalysts are ideal candidates to substitute the conventional metal oxide catalysts since they can be easily disposed of by combustion after achieving their life-time, enabling a more sustainable alkene production. The scientific

  11. Enhanced response of an oligonucleotide-based biosensor to environmental mercury

    SciTech Connect (OSTI)

    Edenborn, H.M.

    2006-10-01

    One environmental pollutant of particular relevance to the coal-generated power industry is mercury. Power plants in the U.S., led by Texas, Ohio, Pennsylvania, Indiana, and Alabama, collectively emitted over 90,000 pounds of mercury into the air in 2003. Calls for increased mercury monitoring activities have come from many groups concerned with environmental contamination and mercury bioconcentration in fish. Additionally, the benefits of improvements in the reduction of mercury emissions from existing power plants cannot be seriously evaluated without extensive monitoring of the environment. Low in situ mercury concentrations and the expense of traditional laboratory analyses currently limit such routine and effective monitoring. Microbial biosensors sensitive to mercury have been developed that quantitatively produce light in response to the amount of mercury (II) entering the cells. However, these sensors are typically difficult to prepare, can have long lag times between initial exposure and subsequent light emission, and are difficult to use in the field. Whole cell biosensors using living bacteria also require attention to the growth requirements of the cells, as well as complications brought on by the presence of other toxic compounds in addition to mercury. A molecular beacon sensor for mercury (II) reported by Ono and Togashi (Angew. Chem. Int. Ed. 2004, 43:4300-4302.) was modified to enhance its sensitivity and fluorescence response. The basic detection method involves the selective binding of mercury ions to thymine-thymine (T-T) base pairs in DNA duplexes. An oligonucleotide sequence in the sensor changes its conformation upon binding with mercury ions, and causes a fluorophore at one end of the oligonucleotide sequence to come in proximity with a quencher molecule attached to the other end. Enhanced fluorescence resonance energy transfer (FRET) results in a decrease in the intensity of the fluorescence spectrum. The use of fluorescein as a harvester fluorophore and alternative emitter fluorophores dramatically increased the sensitivity of the sensor. The fluorescence spectrum generated by this sensor is analyzed using a field spectrofluorometer, and the analytical approach may be useful in environmental mercury monitoring activities.

  12. Chemical Pre‐Procurement (ChemPro) Application

    Broader source: Energy.gov [DOE]

    Presenter: Julie Cordero, PE, CFEI Fire Protection Engineer, Sandia National Laboratory ‐ Albuquerque

  13. Chemical Consortium Holdings Inc ChemCon | Open Energy Information

    Open Energy Info (EERE)

    Hydro, Hydrogen Product: Develops and operates projects in the bioethanol, biodiesel, methanol, hydrogen and liquid natural gas industries. References: Chemical Consortium Holdings...

  14. Microsoft PowerPoint - Unocic_ChemComm-2015

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

    EELS results from liquid cell microscopy demonstrate the ability to obtain quantitative chemical information from battery electrode materials during in situ ec-STEM experiments....

  15. Anjan Etho Chem Pvt Ltd | Open Energy Information

    Open Energy Info (EERE)

    that has developed a scalable, low cost sustainable continuous process method for making fuel grade ethanol. The company has also developed technology to produce biodiesel from...

  16. Microsoft Word - ThermoChemTechMemo2012.docx

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

    technologies, costs, and logistics that are achievable today for supplying biomass feedstocks to pioneer biorefineries. The general architecture of these designs locates the...

  17. ChemCam laser first analyses yield beautiful results

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

    will be able to use these spectral fingerprints to decipher the composition of Martian geology, including information about whether Mars rocks ever existed in a watery...

  18. 05679_ChemFlood | netl.doe.gov

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

    crude oils. Core flooding tests to determine oil recovery performance were conducted with chemical formulations for nine oils. Tertiary oil recovery was greater than 90% for seven...

  19. Supercritical Fluid Purification of Combi-Chem Libraries

    SciTech Connect (OSTI)

    2002-01-01

    Innovative method of purifying combinatorial chemistry compounds reduces energy use and chemical waste of processed chemicals.

  20. UCRL-JC-l20677 PREPRINT Detailed and Global Chemical Kinetics...

    Office of Scientific and Technical Information (OSTI)

    ... Kin., 26, 389, 1994. 4. Sutherland, J.W.; Patterson, P.M.; and Klemm, R.B.: J. Phys. ... Albuquerque, N.M., SAND87-8215B, 1987. 12. Wong, W.; and Davis, D.D.: Int. J. Chem. ...

  1. ChemCam follows the 'Yellowknife Road' to Martian wet area

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

    The Mars Science Laboratory's Curiosity Rover recently took this photo of the Martian landscape looking toward Mount Sharp while on its way toward Yellowknife Bay-an area where...

  2. The ChemCam instrument for the 2011 Mars science laboratory mission...

    Office of Scientific and Technical Information (OSTI)

    Authors: Wiens, Roger C 1 ; Barraclough, Bruce L 1 ; Bender, Steve C 1 ; Perez, R. 2 ; Cousin, A. 3 ; Cros, A. 3 ; De Flores, L. 4 ; Leroch, N. 5 ; Maurice, S. 3 ...

  3. PNNL-Weather Research and Forecasting (WRF)-Chem Modeling in...

    Open Energy Info (EERE)

    San Francisco, CA, A41F-01. Fast JD, JC Doran, JC Barnard, S Springs ton, L Klein man, L Emmons, C Wiedinmyer. 2007. "Predictions of aerosols downwind of Mexico City using a...

  4. ChemCam on Mars (Technical Report) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Have feedback or suggestions for a way to improve these results? Save Share this Record Citation Formats MLA APA Chicago Bibtex Export Metadata Endnote Excel CSV XML Save to My ...

  5. Microsoft PowerPoint - Sacci_ChemComm-2014.ppt [Compatibility Mode]

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

    Investigating Solid Electrolyte Formation and Growth at the Nano-scale" The SEI is a nm-scaled passivating layer that forms locally at the anode/electrolyte interface as a result of electrolyte decomposition during the initial charging cycle. The ongoing formation of radicals (due to the highly negative reduction potential of Li, -3 V) can lead to disordered SEIs. Controlling the SEI's properties essential to the development longer lasting and safer Li-ion batteries; however, its formation

  6. Microsoft PowerPoint - Ramanathan_JMaterChemC-2013.pptx

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

    pattern across the full length of a 12" wafer. We expect that this simple, straightforward strategy of wrinkle formation in thin films comprised of a reactive polymer...

  7. ChemCam contributions to the Lunar and Planetary Science Conference...

    Office of Scientific and Technical Information (OSTI)

    DUston, C. MNHN; Langevin, Y. Univ. Paris-Sud; Mauchien, P. CEA; McKay, C. NASA Ames; Newsom, H. UNM; Vaniman, D. PSI; Baroukh, J. CNES; Barraclough, Bruce Los...

  8. ChemCam on Mars Clegg, Samuel M. [Los Alamos National Laboratory...

    Office of Scientific and Technical Information (OSTI)

    & Molecular Physics(74) Abstract Not Provided Los Alamos National Laboratory (LANL) NASA United States 2012-10-17 English Technical Report Medium: ED OSTI ID: 1053549, Legacy...

  9. ChemCam contributions to the Lunar and Planetary Science Conference...

    Office of Scientific and Technical Information (OSTI)

    ... Holyoke College Caltech CSA U. Western Ontario Oregon State U. University of Michigan MPS ANU Malin Space Science Systems Dpto. de Geologia, Universidad de Alcala, 28871 Madrid, ...

  10. CHEM.PLANT.ADMIN.REC.302.1.08.T.PDF

    Office of Legacy Management (LM)

    RECORD OF DECISION: DOE/OR/21548-376 Record of Decision for Remedial Action at the Chemical Plant Area of the Weldon Spring Site September 1993 U.S. Department of Energy Oak Ridge Field Office Weldon Spring Site Remedial Action Project RECORD OF DECISION: DOE/OR/21548-376 Record of Decision for Remedial Action at the Chemical Plant Area of the Weldon Spring Site September 1993 prepared by U.S. Department of Energy, Oak Ridge Field Office, Weldon Spring Site Remedial Action Project DECLARATION

  11. CHEM.PLANT.ADMIN.REC.302.1.08.T.PDF

    Office of Legacy Management (LM)

  12. Predicting Aerosol Direct Radiative Forcing over Mexico using WRF-chem: It Looks Right, But Its Wrong

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

    Aerosol (and Cloud) Modeling Testbed: A Community Tool to Objectively Evaluate Aerosol Process Modules Jerome Fast, William Gustafson Jr., Elaine Chapman, Richard Easter, Jeremy Rishel ARM Science Team Meeting, Louisville KY, March 31, 2009 8 7 6 5 4 3 8 7 6 5 4 3 What is the Problem? Range of Regional Model Predictions observed Range of Global Model Predictions AOD from OC low high Kinne et al. 2006, ACP McKeen et al. 2007, JGR * Current aerosol modeling paradigm is haphazard and slow 

  13. ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol Process Using High-Impact Feedstock for Commercialization

    Broader source: Energy.gov [DOE]

    This pilot-scale integrated biorefinery will produce 250,000 gallons per year of cellulosic ethanol when running at full operational status.

  14. Geek-Up[09.24.10]-- Magical BEANs, Combating Bacteria's Resistance to Antibiotics and the ChemCam's Journey to Mars

    Broader source: Energy.gov [DOE]

    Magical BEANs that mean mega-sized data storage, a new camera that will detect elements on Mars and new treatments to stop antibiotic resistance.

  15. PowerPoint Presentation

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

    T. Anderson (Biology, PSU) Ying Gu (Biochem & Mol Biol, PSU) Seong Kim (Chem Eng, PSU) James Kubicki (Geosciences, PSU) Manish Kumar (Chem Eng, PSU) Janna Maranas (Chem Eng,...

  16. Auto-ignition during instationary jet evolution of dimethyl ether (DME) in a high-pressure atmosphere

    SciTech Connect (OSTI)

    Fast, G.; Kuhn, D.; Class, A.G.; Maas, U.

    2009-01-15

    The auto-ignition process during transient injection of gaseous dimethyl ether (DME) in a constant high-pressure atmosphere is studied experimentally by laser-optical methods and compared with numerical calculations. With different non-intrusive measurement techniques jet properties and auto-ignition are investigated at high temporal and spatial resolution. The open jet penetrates a constant pressure oxidative atmosphere of up to 4 MPa. During the transient evolution, the fuel jet entrains air at up to 720 K. The subsequent auto-ignition of the ignitable part of the jet occurs simultaneously over a wide spatial extension. The ignition delay times are not affected by variation of the nozzle exit velocity. Thus, the low-temperature oxidation is slow compared with the shorter time scales of mixing, so that chemical kinetics is dominating the process. The typical two-stage ignition is resolved optically with high-speed shadowgraphy at a sampling rate of 10 kHz. The 2D fields of jet velocity and transient mixture fraction are measured phase-coupled with Particle Image Velocimetry (PIV) and Tracer Laser Induced Fluorescence (LIF) during the time-frame of ignition. The instationary Probability Density Functions (PDF) of mixture fraction are described very well by Beta functions within the complete area of the open jet. Additional 1D flamelet simulations of the auto-ignition process are computed with a detailed reaction mechanism for DME [S. Fischer, F. Dryer, H. Curran, Int. J. Chem. Kinet. 32 (12) (2000) 713-740; H. Curran, S. Fischer, F. Dryer, Int. J. Chem. Kinet. 32 (12) (2000) 741-759]. Calculated ignition delay times are in very good agreement with the measured mean ignition delay times of 3 ms. Supplemental flamelet simulations address the influence of DME and air temperature, pressure and strain. Underneath a critical strain rate the air temperature is identified to be the most sensitive factor on ignition delay time. (author)

  17. Slide 1

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

    System Supply 6,560 Wtd. Avg. Int. 6.2% Bonds Issued to Treasury 796 Wtd. Avg. Int. 6.8% Bureau of Reclamation Appropriations 565 Wtd. Avg. Int. 7.1% Power Marketing...

  18. Slide 1

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

    Wtd. Avg. Int. 7.4% Bureau of Reclamation Appropriations 510 Wtd. Avg. Int. 7.1% Power Marketing Transmission Bonds Issued to Treasury 1,854 Wtd. Avg. Int. 7.3% Bureau of...

  19. The Future of Scientific Workflow

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

    Swift programming model Data t ypes int i 4; int A; string s "hello world"; Mapped d ata t ypes file image<"snapshot.jpg">; Structured d ata...

  20. Important LANL Directions and Contacts

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    Employee Assistance Program: 667-7339, http:int.lanl.govemployeeshealth-fitnessemployee-assistanceindex.shtml Voluntary Protection Program: http:int.lanl.gov...

  1. S. 466: A bill to amend the Internal Revenue Code of 1986 to provide for a renewable energy production credit, and for other purposes, introduced int he Senate of the United States, One Hundred Second Congress, First Session, February 21, 1991

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The tax credit allowed is equal to the applicable amount multiplied by the kilowatt hours of electricity produced by qualified technologies. The applicable amount is 2 cents for the taxable years 1992-1996; 1.6 cents for 1997; 1.2 cents for 1998; 0.9 cents for 1999; 0.6 cents for 2000; and 0.3 cents for 2001. Qualified technologies include solar thermal, photovoltaic, wind, geothermal (other then dry steam), and biomass (excludes aquatic plants, municipal wastes, industrial wastes, agricultural wastes).

  2. Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

    SciTech Connect (OSTI)

    Theophilou, Iris; Tassi, M.; Thanos, S.

    2014-04-28

    Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations.

  3. Microsoft PowerPoint - 2012 Liabilities.ppt

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

    Energy Northwest 2 1,169 Wtd. Avg. Int 4.9% BPA Appropriations 257 Wtd. Avg. Int 7.2% Capital Leases 120 Wtd. Avg. Int 4.7% Bonds Issued to Treasury 1,951 Wtd. Avg. Int 3.8%...

  4. STANFORD SYNCHROTRON RADIATION LIGHTSOURCE LINAC COHERENT LIGHT...

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

    (Name, Authorized Representative for Int'l User Group) (Name of Int'l User Group Organization) the Foreign Principal Party in Interest, that is subject to the jurisdiction...

  5. Learn Gapminder | Open Energy Information

    Open Energy Info (EERE)

    0; public static void createmyArray() for(int i0; iinputRow; i++) for(int j0; jstateList.length; j++) if (inputi0.equals(stateAbbj))...

  6. Swift Parallel Scripting:

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

    w ithin a m any---task w orkflow 8 Swift in a nutshell Data t ypes string s "hello world"; int i 4; int A; Mapped d ata t ypes type image; image...

  7. PCIRCLE

    Energy Science and Technology Software Center (OSTI)

    003870WKSTN00 pcircle - A Suite of Scalable Parallel File System Tools https://github.com/ORNL-TechInt/pcircle

  8. Description of recommended non-thermal mixed waste treatment technologies: Version 1.0

    SciTech Connect (OSTI)

    1995-08-01

    This document contains description of the technologies selected for inclusions in the Integrated Nonthermal Treatment Systems (INTS) Study. The purpose of these descriptions is to provide a more complete description of the INTS technologies. It supplements the summary descriptions of candidate nonthermal technologies that were considered for the INTS.

  9. Microsoft Word - lblsubosime3.doc

    Office of Scientific and Technical Information (OSTI)

    ... Soc. 1991, 113, 4747. 19 (a) Antoniotti, P.; Tonachini, G. J. Org. Chem. 1993, 58, 3622. (b) Antoniotti, P.; Canepa, C.; Tonachini, G. J. Org. Chem. 1994, 59, 3952. 20 Thompson, M. ...

  10. Thermal Dihydrogen Elimination ...

    Office of Scientific and Technical Information (OSTI)

    ... Schelter, E. J.; Milligan, A. E.; Scott, B. L.; Bauer, E. D.; Thompson, J. D.; Morris, D. E.; John, K. D. J. Am. Chem. Soc 2006,128, 7230. (20) Boche, G.; Lohrenz, J. C. W. Chem. ...

  11. Template for Electronic Submission to ACS Journals

    Office of Scientific and Technical Information (OSTI)

    ... Bowers M. T. Ed., Academic Press, New York, N. Y. 1979, vol 2, p 87. (43) a) Thompson, M. ... Chem. 1982, 33, 493. Blanksby, S. J.; Ellison, G. B. Acc. Chem. Res. 2003, 36, 255. (44). ...

  12. Richard Rosenberg

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

    Light-Emission Properties of Silicon-Based Nanostructures," ChemPhysChem. 8, 2557 (2007). Richard A. Rosenberg, Gopal K. Shenoy, Matthew F. Chisholm, Li-Chia Tien, David Norton,...

  13. Microsoft Word - Cp3U-CO ms-rev-sub.doc

    Office of Scientific and Technical Information (OSTI)

    ... References 1) Brennan, J. G.; Andersen, R. A.; Robbins, J. L. J. Am. Chem. Soc. 1986, 108, 335. 2) Bursten, B. E.; Strittmatter, R. J. J. Am. Chem. Soc. 1987, 109, 6606. 3) (a) ...

  14. 1

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    of the Mars Science Laboratory Curiosity rover ChemCam team have received the first photos from the instrument's remote micro imager. The successful capture of ChemCam's first...

  15. 2006 Publications | Argonne National Laboratory

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    Barnard A. and Curtiss L., "Predicting the Shape and Structure of Face-Centered Cubic Gold Nanocrystals Smaller Than 3 nm," Chem. Phys. Chem, 7, pp1544-1553, 2006 Barnard A. and...

  16. NEESConnect | NEES - EFRC | University of Maryland Energy Frontier...

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    2015, Kwang Jin Kim, Yue Qi Group, Chem E & Materials Science, MSU July 2015, Jonathan Larson, Janice Reutt-Robey Group, Chem & Biochem, UMD Aug 2015, Hyung Jung, Reza Ghodssi...

  17. oligomers | netl.doe.gov

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

    at the 2010 NETL CO2 Capture Technology Meeting Aminosilicone Solvents for CO2 Capture, Perry, R.J., et al, ChemSusChem, Special Issue: Carbon Capture and Sequestration, Volume 3,...

  18. piggy_prohibition.indd

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

    int.lanl.govsecurityintegratingdeployed.shtml References References 1) Manager's Instruction 07-004, Piggybacking Prohibition, June 2007 2) Escorting Uncleared US Visitors...

  19. Santa Clara County, California: Energy Resources | Open Energy...

    Open Energy Info (EERE)

    Company HP Honda Research Institute IWatt Inc IXYS Corporation InnovaLight Inc Integrated Photovoltaics Intel Corp InteliSolar Intevac JDS Uniphase Corp JDSU KLA Tencor Kainos...

  20. Theme 1 | Photosynthetic Antenna Research Center

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

    biological hydrogen production. Int. J. Hydrogen Energy 31: 1563-1573 (2006). 7. Kondo T, Wakayama T, Miyake J. Efficient hydrogen production using a multi-layered...

  1. EERE PowerPoint 97-2004 Template: Green Version

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

    MT Gravity Radar Geology Geothermal Technologies Office 2015 Peer Review Kelly Rose, NETL Scott Urquhart, Zonge Int. Adam Schultz, OSU Paul Vincent, OSU Track 3 EGS1 This...

  2. Radiocarbon (Geochronology)

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    Belfast: Marine Reservoir Database Calib Calibomb CLAMBACON IntCal Database Oxford University Radiocarbon Unit: OxCal PaleoclimateEnvironmental Databases: Neotoma NOAA...

  3. Geralyn "Sam" Zeller

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

    Conferences Upcoming Conferences: Link to upcoming neutrino meetings NuInt09 - 6th Int'l Workshop on Neutrino-Nucleus Interactions in the Few GeV Region (May 18-22, 2009, Sitges, Barcelona, Spain) Past Conferences: Elba X - Electron-Nucleus Scattering Workshop (June 23-27, 2008, Marciana Marina, Elba, Italy) NuFact08 - 10th Int'l Workshop on Neutrino Factories, Superbeams, and Betabeams (June 30-July 5, 2008, Valencia, Spain) Neutrino 08 - XXIII Int'l Conference on Neutrino Physics and

  4. UNFCCC-Finance Portal | Open Energy Information

    Open Energy Info (EERE)

    Framework Convention on Climate Change Sector: Climate Topics: Finance Resource Type: Lessons learnedbest practices User Interface: Website Website: unfccc.int...

  5. Search results | Department of Energy

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

    Module for Energy Education Find activities focused on renewable energy sources such as solar and wind. http:energy.goveereeducationdownloadsalternative-energy-sources-inte...

  6. \\\\Athena\\tsoshare\\Dosimetry\\Dosimetry Forms\\RPR 1A RADIATION...

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    Int.: Previous (maiden) or other surnames known by: Permanent Address: Soc. Sec. No.: Sex: Male Female Birth date: Month Day Year Job Title or Duties: Department: Room Number:...

  7. Microsoft Word - Document1

    Energy Savers [EERE]

    ... the 690,000,000 Hanford Waste Treatment Plant. * ... ORG CODE A-123INT CNTRL BLDG OCCUP COPY SVCS CORPORATE ... to the plan by Bechtel Marine Propulsion Corporation. ...

  8. Microsoft PowerPoint - SALISHAN

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    ... by programmer * Transformed program can save its state only at calls to potentialCheckpoint() Application-level checkpointing: saving position in program main() int a; ...

  9. NETL F 451.1/1-1, Categorical Exclusion Designation Form

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    Skies Consulting - Charlotte, NC FESCCAESD Darryl Shockley Chem. Looping Coal Gasification Sub-Pilot Unit Demo & Econ Assessment for IGCC Complete detailed design, construct...

  10. 1

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    laser to determine their composition and carries a camera that can survey the Martian landscape. "ChemCam has greatly exceeded our expectations," said Roger Wiens, Los Alamos...

  11. Berend Smit | Center for Gas SeparationsRelevant to Clean Energy...

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    Maciej; and Smit, Berend. Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture. J. Amer. Chem. Soc., 137, 13301-13307 (2015)....

  12. Slide 0

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    Analysis Results for Smyrna High School AP CHEM Biodiesel gas chromatograph spectrum 1 AP BIO Biodiesel gas chromatograph spectrum 2 Composition analysis 3 Predicted Compound...

  13. bia-pulse | netl.doe.gov

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    ThermoChem, Inc., Baltimore, MD PROGRAM PUBLICATIONS Final Reports Pulse Combustor Design Qualification Test and Clean Coal Feedstock Test , Final Report Volume 2: Project ...

  14. Thermal Degradation Behavior of Siloxane Elastomer Impregnated...

    Office of Scientific and Technical Information (OSTI)

    Conference: Presented at: pacificChem 2010, Honolulu, HI, United States, Dec 15 - Dec 19, 2010 Research Org: Lawrence Livermore National Laboratory (LLNL), Livermore, CA Sponsoring...

  15. Introduction to Chemistry and Material Sciences Applications

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    Intro Chem and MatSci Apps Introduction to Chemistry and Material Sciences Applications June 26, 2012 L ast edited: 2015-12-11 16:11:02...

  16. Los Alamos National Laboratory Scientific Excellence for...

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    ... 2015 | 22 UNCLASSIFIED Curiosity (Rover) ChemCam Radioisotope Thermoelectric generator (RTG) Hydrogen & Fuel Cells Electrode Los Alamos Type (ELAT) Battlefield Power Programs ...

  17. Strong influence of coadsorbate interaction on CO desorption...

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    ... Resource Relation: Journal Name: Physical Review Letters; Journal Volume: 114; Journal ... Country of Publication: United States Language: English Subject: CHEM; MATSCI Word Cloud ...

  18. Search for: All records | SciTech Connect

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    Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous ... Filter Results Filter by Subject chem (1) Filter by Author Blakesley, James (1) Frisch, ...

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    Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous ... Filter Results Filter by Subject chem (2) matsci (1) Filter by Author Himmelberger, Scott ...

  20. Integrated Biorefineries:Biofuels, Biopower, and Bioproducts...

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

    Solazyme, Inc. Peoria, IL Pilot Algae UOP, LLC Kapolei, HI Pilot Thermo - Pyrolysis ZeaChem, Inc. Boardman, OR Pilot Thermo - Pyrolysis Elevance* Boilingbrook, IL...

  1. Sandia National Laboratories: News: Publications: Lab News

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    detector for the military, the MicroChemLab. Ever since, Sandia has improved such microfluidics- and microelectromechanical (MEMS) systems-based instruments that identify...

  2. Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Difference...

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

    an Hsp90 chaperone. J Biol Chem 279, 46162-46171. Nicchitta, C.V. (1998). Biochemical, cell biological and immunological issues surrounding the endoplasmic reticulum chaperone...

  3. Search for: All records | SciTech Connect

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    ... Filter Results Filter by Subject chem (6) materials science (3) silicon (3) irradiation (2) laser radiation (2) silica (2) texture (2) thin films (2) alignment (1) buffers (1) ...

  4. Introduction to Chemistry and Material Sciences Applications

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

    Intro Chem and MatSci Apps Introduction to Chemistry and Material Sciences Applications June 26, 2012 Last edited: 2016-02-01 08:06:38

  5. WorkloadN6v15

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

    timesteps F90 netCDF GAMESS QuantumChem (BES) Denselinear algebra,DFT 256,1024(Same asTI-09) rmsgradient,MP2...

  6. Interpenetration control in metal-organic frameworks for functional...

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

    Interpenetration control in metal-organic frameworks for functional applications Previous Next List Hai-Long Jiang, Trevor A. Makal, Hong-Cai Zhou, Coord. Chem. Rev., 257,...

  7. The Yi Liu Group - Home

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    Publications Contacts - New chemistry led to new discotic azacoronenes that function as dual responsive proton sensors. See the latest publication on Chem. Sci. - Check out the...

  8. Equipment Inventory | Sample Preparation Laboratories

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    Equipment Inventory « Equipment Resources Title Equipment Type Facility Laboratory Building Room Accumet Basic AB15 pH meter pH Meter SSRL BioChemMat Prep Lab 2 131 209 Agate Mortar & Pestle Sets Buchi V-700 Vacuum Pump & condenser Campden Instruments Vibrating Manual Tissue Cutter HA 752 Corning 430 pH Meter pH Meter SSRL BioChemMat Prep Lab 1 120 257 Corning 430 pH Meter pH Meter SSRL BioChemMat Prep Lab 2 131 209 Corning 476436 3-in-1 Combo Electrode pH Meter SSRL BioChemMat Prep Lab

  9. Profile for Gautam Gupta

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    ... Cathodes for Biofuel Cells" Electrochim. Acta, 56, 10767 (2011). ... Johnson "Standardized microbial fuel cell anodes of silica-immobilized Shewanella oneidensis" Chem. ...

  10. Center for Nanophase Materials Sciences (CNMS) - Publications

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    ... Reaction with Tin Anodes: Experiment and Theory," ... for High Avidity Microbial Capture," ... Layers of Proton Exchange Membrane Fuel Cells," J. Phys. Chem. ...

  11. A Novel Mechanism for Binding of Galactose-terminated Glycans...

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 290; Journal Issue: (27) ; 07, 2015 Research Org: Advanced Photon Source (APS), ...

  12. Nanoscale dynamics and aging of fibrous peptide-based gels (Journal...

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal Name: J. Chem. Phys.; Journal Volume: 141; Journal Issue: (16) ; 10, 2014 Research Org: Advanced Photon Source (APS), ...

  13. Memo Is Homologous to Nonheme Iron Dioxygenases and Binds an...

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    Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 283; Journal Issue: (5) ; 02, 2008 Research Org: Advanced Photon Source (APS), ...

  14. Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase...

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    Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 290; Journal Issue: (21) ; 05, 2015 Research Org: Advanced Photon Source (APS), ...

  15. Breaking Down the Mechanisms of Biomass Deconstruction | U.S...

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    Resources Contact Information Basic Energy Sciences U.S. Department of Energy SC-22... Green Chem. 16, 63-68 (2014) External link . This graphical representation of ...

  16. Breaking Down the Mechanisms of Biomass Deconstruction | U.S...

    Office of Science (SC) Website

    Biological and Environmental Research U.S. Department of Energy SC-23Germantown Building ... Green Chem. 16, 63-68 (2014) External link . This graphical representation of ...

  17. Computer-Aided Construction of Combustion Chemistry Models

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    Constructing Accurate Combustion Chemistry Models: Butanols William H. Green & Michael Harper MIT Dept. of Chem. Eng. CEFRC Annual Meeting, Sept. 2010 The people who did this work:...

  18. Outer sphere hydrogenation catalysis (Journal Article) | SciTech...

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    OSTI Identifier: 1080563 DOE Contract Number: SC0001055 Resource Type: Journal Article Resource Relation: Journal Name: New J. Chem.; Journal Volume: 37; Related Information: CETM ...

  19. Chemical Technology Division progress report, October 1, 1989--June 30, 1991

    SciTech Connect (OSTI)

    Not Available

    1992-04-01

    This progress report reviews the mission of the Chemical Technology Division (Chem Tech) and presents a summary of organizational structure, programmatic sponsors, and funding levels for the period October 1, 1988, through June 30, 1991. The report also summarizes the missions and activities of organizations within Chem Tech for the reporting period. Specific projects performed within Chem Tech`s energy research programs, waste and environmental programs, and radiochemical processing programs are highlighted. Other information regarding publications, patents, awards, and conferences organized by Chem Tech staff is also included.

  20. Chemical Technology Division progress report, October 1, 1989--June 30, 1991

    SciTech Connect (OSTI)

    Not Available

    1992-04-01

    This progress report reviews the mission of the Chemical Technology Division (Chem Tech) and presents a summary of organizational structure, programmatic sponsors, and funding levels for the period October 1, 1988, through June 30, 1991. The report also summarizes the missions and activities of organizations within Chem Tech for the reporting period. Specific projects performed within Chem Tech's energy research programs, waste and environmental programs, and radiochemical processing programs are highlighted. Other information regarding publications, patents, awards, and conferences organized by Chem Tech staff is also included.

  1. Impact of sub-cell internal luminescence yields on energy conversion efficiencies of tandem solar cells: A design principle

    SciTech Connect (OSTI)

    Zhu, Lin Kim, Changsu; Yoshita, Masahiro; Chen, Shaoqiang; Sato, Shintaroh; Mochizuki, Toshimitsu; Akiyama, Hidefumi; Kanemitsu, Yoshihiko

    2014-01-20

    To develop a realistic design principle, we calculated the maximum conversion efficiency ?{sub sc} and optimized sub-cell band-gap energies E{sub g} in double-junction tandem solar cells via a detailed-balance theory, paying particular attention to their dependence on internal luminescence quantum yields y{sub int} of the top and bottom sub-cell materials. A strong drop in the maximum ?{sub sc} occurs when y{sub int} slightly drops from 1 to 0.9, where the drop in y{sub int} of the bottom cell causes a stronger effect than that of the top cell. For low values of y{sub int}, the maximum ?{sub sc} has a simple logarithmic dependence on the geometric mean of the two sub-cells'y{sub int}.

  2. Description and Evaluation of Tropospheric Chemistry and Aerosols in the Community Earth System Model (CESM1.2)

    SciTech Connect (OSTI)

    Tilmes, S.; Lamarque, J. -F.; Emmons, L.; Kinnison, Douglas E.; Ma, Po-Lun; Liu, Xiaohong; Ghan, Steven J.; Bardeen, C.; Arnold, S.; Deeter, M.; Vitt, Francis; Ryerson, T. B.; Elkins, J. W.; Moore, F.; Spackman, R.; Martin, M. V.

    2015-05-13

    The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. Both configurations are well suited as tools for atmospheric-chemistry modeling studies in the troposphere and lower stratosphere, whether with internally derived free running (FR) meteorology, or specified dynamics (SD). The main focus of this paper is to compare the performance of these configurations against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We particularly focus on comparing present-day methane lifetime estimates within the different model configurations, which range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem. We find that tropospheric surface area density is an important factor in controlling the burden of the hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of nitrogen oxides (NOx) produced from lightning production explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss, but also by transport and mixing. For future studies, we recommend the use of CAM5-chem, due to improved aerosol description and inclusion of aerosol-cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime.

  3. Description and Evaluation of Tropospheric Chemistry and Aerosols in the Community Earth System Model (CESM1.2)

    SciTech Connect (OSTI)

    Tilmes, S.; Lamarque, J.-F.; Emmons, L.; Kinnison, Douglas E.; Ma, Po-Lun; Liu, Xiaohong; Ghan, Steven J.; Bardeen, C.; Arnold, S.; Deeter, M.; Vitt, Francis; Ryerson, T. B.; Elkins, J. W.; Moore, F.; Spackman, R.; Martin, M. V.

    2015-01-01

    The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. Both configurations are well suited as tools for atmospheric-chemistry modeling studies in the troposphere and lower stratosphere, whether with internally derived free running (FR) meteorology, or specified dynamics (SD). The main focus of this paper is to compare the performance of these configurations against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We particularly focus on comparing present-day methane lifetime estimates within the different model configurations, which range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem. We find that tropospheric surface area density is an important factor in controlling the burden of the hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of nitrogen oxides (NOx) produced from lightning production explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss, but also by transport and mixing. For future studies, we recommend the use of CAM5-chem, due to improved aerosol description and inclusion of aerosol-cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime.

  4. Description and Evaluation of Tropospheric Chemistry and Aerosols in the Community Earth System Model (CESM1.2)

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

    Tilmes, S.; Lamarque, J. -F.; Emmons, L.; Kinnison, Douglas E.; Ma, Po-Lun; Liu, Xiaohong; Ghan, Steven J.; Bardeen, C.; Arnold, S.; Deeter, M.; et al

    2015-05-13

    The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. Both configurations are well suited as tools for atmospheric-chemistry modeling studies in the troposphere and lower stratosphere, whether with internally derived “free running” (FR) meteorology, or “specified dynamics” (SD). The main focus of this paper is to compare the performance of these configurations against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We particularly focus on comparing present-daymore » methane lifetime estimates within the different model configurations, which range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem. We find that tropospheric surface area density is an important factor in controlling the burden of the hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of nitrogen oxides (NOx) produced from lightning production explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss, but also by transport and mixing. For future studies, we recommend the use of CAM5-chem, due to improved aerosol description and inclusion of aerosol-cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime.« less

  5. b804485f_LR

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

    ... Chem., 2006, 78, 4976-4984. 25 S. Song, A. K. Singh and B. J. Kirby, Anal. Chem., 2004, 76, 4589- 4592. 26 R. F. Renzi, J. Stamps, B. A. Horn, S. Ferko, V. A. VanderNoot, J. A. A. ...

  6. Global 3 parameter model for neutrino oscillations with Lorentz

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

    31/2007 Teppei Katori, Indiana University, NuInt '07 1 Charged Current Interaction measurements in MiniBooNE hep-ex/0706.0926 Teppei Katori for the MiniBooNE collaboration Indiana University NuInt 07, Fermilab, May., 31, 07 05/31/2007 Teppei Katori, Indiana University, NuInt '07 2 outline 1. CCQE events in MiniBooNE 2. Prediction for CCQE events 3. CCQE data-MC comparison 4. Fit results 5. Anti-neutrino CCQE events 6. Conclusion Charged Current Interaction measurements in MiniBooNE

  7. Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser

    Office of Scientific and Technical Information (OSTI)

    pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility (Journal Article) | SciTech Connect Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility Citation Details In-Document Search Title: Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility Experimental investigation of stimulated Raman (SRS) and

  8. NREL: National Residential Efficiency Measures Database - Data Dictionary

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

    Dictionary This page features the data dictionary for the National Residential Efficiency Measures Database, which supplies users with information about the database organization such as table structure, field names, and data element type and length. tblAction Column name Data type Length Description ActionID int 4 Primary key for actions sName varchar 255 Action name idComponentTypeID int 4 The component type to which this action may be applied (foreign key) idActionTypeID int 4 The action type

  9. Summary - SRS Salt Waste Processing Facility

    Office of Environmental Management (EM)

    aque vitrification a suitable as fe Centrifugal C extraction of Extraction So entrained, hi aqueous pro MSTSludge sludge to the Process Inte subsystems other on-site What the e...

  10. Ralf Rapp

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

    ... ECT*, Trento (Italy), May 20-24, 2013 Local Organizing Committee Member of 11th Int. ... Lepton Pair Spectroscopy", ECT*, Trento (Italy), Sept. 13-17, 2010 Co-Organizer of ...

  11. 3, Hans D. Jensen

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

    two-boQ for&x3 give rise to addi- K ,., tional moments has been Y inted out b Blanchard, Avery, and Sachs, Phys. Rev. 78, 292 (1950 0 DISCLAIMER This report was prepared as...

  12. Microsoft Word - MPW_Fact_Sheet_SAND2010-4820P_updated_format...

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

    Inte rvices integra afer resource circuits in low rogram prov production fa test and pac ened, 3.3 v, 0 ors, and diod tal and analo n Kit. managed and oper artment of Energy r...

  13. Residential Ground-Source Heat Pump Program

    Broader source: Energy.gov [DOE]

    Project sites must be located in a utility territory that contributes to the Renewable Energy Trust Fund (National Grid, Eversource, Unitil, and municipal light plants that have agreed to pay int...

  14. Residential On-Bill Financing Programs- Nicor Gas, North Shore Gas, Peoples Gas, Ameren and ComEd

    Broader source: Energy.gov [DOE]

    S.B. 2350 expanded the loan program to include loans of up to $150,000 to retail customers that own multi-family residential or mixed-use buildings with no more than 50 residential units. The int...

  15. Intel uses very old version of libstdc++ by default [updated...

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

    node, which is typically quite old. This test case illustrates the problem on Edison: > cat TestLibVersion.C include int main() std::cout<<"libstdc++ version is "<<...

  16. Fuel Cell Buses in U.S. Transit Fleets: Current Status 2012

    Fuel Cell Technologies Publication and Product Library (EERE)

    This report is the sixth in an annual series of reports that summarize the progress of fuel cell electric bus (FCEB) development in the United States and discuss the achievements and challenges of int

  17. Session Papers Preliminary Analysis of Ground-Based Microwave...

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

    Shaw, J. A., J. H. Churnside, and E. R. Westwater. 1991. An Infrared Spectrometer for Ground-Based Profiling of Atmospheric Temperature and Humidity. Proc. SPIE Int'l. Symp. on...

  18. Posters Preliminary Analysis of Ground-Based Microwave and Infrared...

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

    Shaw, J. A., J. H. Churnside, and E. R. Westwater. 1991. An Infrared Spectrometer for Ground-Based Profiling of Atmospheric Temperature and Humidity. Proc. SPIE Int'l. Symp. on...

  19. Publications

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

    processes: A review," Int. J. of Machine Tools and Manufacture, 2007; 47(15), pp. 2189-2206. K. Wang, D. J. Inman and C. R. Farrar, "Modeling and analysis of a cracked...

  20. C.F.von Weizsäcker-Political consequences of science

    ScienceCinema (OSTI)

    None

    2011-04-25

    le DG C.Rubbia remercie le Prof.C.F.von Weizsäcker pour ses trois conférences très intéréssantes

  1. Microsoft Word - 2005 Smooth Brome 032206 FINAL.doc

    Office of Environmental Management (EM)

    n i c a D ra w So uth Int erc ep tor Di tch W o m a n C re ek Smooth Brome Treatment Location Smooth Brome Weed Control Locations Figure 2 DATA SOURCE BASE FEATURES: Buildings,...

  2. Final Report: Axion "Roadmap" Workshop

    SciTech Connect (OSTI)

    Rosenberg, Leslie J

    2013-03-19

    Final report for "Vistas in Axion Physics: A Roadmap for Theoretical and Experimental Axion Physics through 2025", which was held at the University of Washington, INT, from April 23 - 26, 2012.

  3. QBR1024-07-30-ZZ.pptx

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

    ray---trilinos % CC h ello.C usrbinld: c annot fi nd - lcilkrts % c at h ello.C ' Hello W orld' p rogram include < iostream> int m ain() s td::cout < < " Hello W orld" <...

  4. HDF5-tutorial_NUG_2010.ppt

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

    Identifiers per HDF5 session. For example: C Type HDF5 File Type HDF5 Memory Type int H5TSTDI32BE H5TNATIVEINT H5TSTDI32LE float H5TIEEEF32BE H5TNATIVEFLOAT...

  5. Pyroelectric response mechanism of barium strontium titanate ceramics in dielectric bolometer mode: The underlying essence of the enhancing effect of direct current bias field

    SciTech Connect (OSTI)

    Mao, Chaoliang; Cao, Sheng; Yan, Shiguang; Yao, Chunhua; Cao, Fei; Wang, Genshui; Dong, Xianlin; Hu, Xu; Yang, Chunli

    2013-06-17

    Pyroelectric response mechanism of Ba{sub 0.70}Sr{sub 0.30}TiO{sub 3} ceramics under dielectric bolometer (DB) mode was investigated by dielectric and pyroelectric properties measurement. The variations of total, intrinsic, and induced pyroelectric coefficients (p{sub tot}, p{sub int}, p{sub ind}) with temperatures and bias fields were analyzed. p{sub int} plays the dominant role to p{sub tot} through most of the temperature range and p{sub ind} will be slightly higher than p{sub int} above T{sub 0}. The essence of the enhancing effect of DC bias field on pyroelectric coefficient can be attributed to the high value of p{sub int}. This mechanism is useful for the pyroelectric materials (DB mode) applications.

  6. HANDBOOK OF ACCELERATOR PHYSICS AND ENGINEERING Editors: M. Tigner...

    Office of Scientific and Technical Information (OSTI)

    Wkshp. (1989); CERN-LEP-TH89-37 (1989) Grsay SR Group, IEEE Trans. Nucl. Sci. NS-26, No.3 (1979) 3559 R. Chehab et al, Proc. 1 lth Int. Conf. High Energy Act. (1980) V.E. Balakin, ...

  7. Residential Central Wood Pellet Heating Program

    Broader source: Energy.gov [DOE]

    Project sites must be located in a utility territory that contributes to the Renewable Energy Trust Fund (National Grid, Eversource, Unitil, and municipal light plants that have agreed to pay int...

  8. REFERENCES Baines, W. D.

    Office of Scientific and Technical Information (OSTI)

    ... Int. J. Heat and Fluid Flow, Vol. 8, No. 2, pp. 82-92. Robey, H. F., Albrecht, G., and Moore, T., 1990, "An Optical Technique for the)irect * Measurement of the 2-D Spectral ...

  9. Revised Manuscript

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

    Soc. 4 (1959) 403, C4 1959LO59 G. Lopez, F. Alba, M. Mazari and M.E. Ortiz, Rev. Mex. Fisica 8 (1959) 17 1959PE1B Perlman, Welker and Wolfsberg, Congr. Int. De Phys. Nucleaire,...

  10. GPU Computing - Dirac.pptx

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

    noOfDevices; * get no. of device * cudaGetDeviceCount (&noOfDevices); cudaDeviceProp prop; for (int i 0; i < noOfDevices; i++) *get device properties *...

  11. E:\\PUBLAW\\PUBL404.106

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

    its t chnology transf r function, including its plans for s curing int ll ctual prop rty rights in laboratory innovations with comm rcial promis and plans for managing its...

  12. MiniBooNE E. D. Zimmerman

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

    * No flux tuning based on MB data * Most important production measurements from HARP(at CERN) at 8.9 GeVc beam momentum (as MB), 5% int. length Be target (Eur.Phys.J.C52...

  13. Outline:

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

    - no flux tuning based on MB data - most important prod measurements from HARP (at CERN) at 8.9 GeVc beam momentum (as MB), 5% int. length Be target...

  14. Neutrino Scattering Results from

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

    to produce absolute cross sections - Determined from production measurements from HARP at 8.9 GeVc beam momentum (as MB), on 5% int. length Be target.. (Eur.Phys.J.C52(2007)...

  15. Enron Documents

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

    ...92 14:46 SOURCE CODE PM PUBLIC MAIL SPEC INT: CONTROL NO: ... to American consumers. Noting the importance of the natural gas industry to the Nation's economic health and ...

  16. Optimization of Operating Parameters for Minimum Mechanical Specific...

    Office of Scientific and Technical Information (OSTI)

    ... Int. J. Rock Mech. & Min. Sci. 34:3-4, paper No. 134. 11 ... International Journal of Rock Mechanics. 34.7 (1997): ... Drill Rate Management Process to Maximize Rate ...

  17. United States Industrial Motor Systems Market Opportunities Assessment: Executive Summary

    Broader source: Energy.gov [DOE]

    In addition to serving DOE's program planning and evaluation needs, the Market Assessment is designed to be of value to manufacturers, distributors, engineers, and others int he supply channels for motor systems.

  18. zeller-MC-session.ppt

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

    NuInt09, path forward session 1 Some Thoughts on MC Convergence * first, would like to define what I mean * two kinds of convergence ... - "convergence" = experiments all working towards using same MC generator (common basis for comparison) - "convergence" = experimentalists & theorists working together to converge on best theoretical description of σ ν * the two are obviously related, will focus on the latter Sam Zeller, NuInt09, path forward session 2 Current

  19. Method and apparatus for controlling supercharge pressure for a turbocharger

    SciTech Connect (OSTI)

    Abo, T.; Veno, T.

    1987-06-16

    A method for controlling supercharge pressure of a turbocharger, is described which comprises the steps of: seeking a basic control amount, BASE, from a look-up table in accordance with an intake air flow rate Qa; determining if an actual supercharge pressure P2 detected is greater than a first predetermined value of supercharge pressure; calculating the deviation P between the first predetermined supercharge pressure and the actual supercharge pressure P2, and also calculating a proportional value portion (PROP=K1 x P) where K1 is a first constant; determining if the actual supercharge pressure P2 is greater than a second predetermined value of supercharge pressure; calculating an integral value portion INT=(K2 x P + INT') when the actual supercharge pressure P2 is greater than the second predetermined value where K2 is a second constant and INT' is a value of INT resulting from a prior calculation, and setting INT to be zero when the actual supercharge pressure P2 is not greater than the second predetermined pressure; calculating a duty value OUT which is a sum of BASE, PROP and INT; and actuating an electromagnetic valve for controlling the supercharge pressure in accordance with the duty value OUT.

  20. Planetary scientist to discuss Curiosity rover's visit to Mars

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

    Scientist to discuss Curiosity rover's visit to Mars Planetary scientist to discuss Curiosity rover's visit to Mars Agnes Cousin-Pilleri will discuss the trailblazing discoveries made by the ChemCam instrument on the Curiosity rover on Mars on May 28. May 23, 2014 Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon, nitrogen, and oxygen, all of which are crucial for life. Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks

  1. Los Alamos laser instrument arrives on Red Planet's surface

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

    Laser instrument arrives on Red Planet's surface Los Alamos laser instrument arrives on Red Planet's surface The ChemCam laser characterization instrument was developed at LANL and the French space institute, IRAP. August 6, 2012 Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon, nitrogen, and oxygen, all of which are crucial for life. Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon,

  2. Chemical Technology Division: Progress report, January 1, 1987--June 30, 1988

    SciTech Connect (OSTI)

    Not Available

    1989-02-01

    This progress report summarizes the research and development efforts conducted in the Chemical Technology Division (Chem Tech) during the period January 1, 1987, to June 30, 1988. The following major areas are covered: waste management and environmental programs, radiochemical and reactor engineering programs, basic science and technology, Nuclear Regulatory Commission programs, and administrative resources and facilities. The Administrative Summary, an appendix, presents a comprehensive listing of publications, oral presentations, awards and recognitions, and patents of Chem Tech staff members during this period. A staffing level and financial summary and lists of seminars and Chem Tech consultants for the period are also included.

  3. Omar Yaghi | Center for Gas SeparationsRelevant to Clean Energy...

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

    Acidity in Metal-Organic Frameworks. Chem. Rev., 115, 6966-6997 (2015). 10.1021acs.chemrev.5b00221 Furukawa, Hiroyasu; Mller, Ulrich; and Yaghi, Omar M. "Heterogeneity...

  4. PowerPoint Presentation

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

    Macro-to-Micro Fluidic Interface Jebrail MJ et al., Anal Chem 86:3856 (2013). Front Back Gen-2 cDNA Synthesis Module: DMF with On-Board HeatingCooling & Evaporation Control...

  5. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar...

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

    Chem. A 2013, 117 (5), 962-965. LINK 116. Hanson, K.; Wilger, D. J.; Jones, S. T.; Harrison, D. P.; Bettis, S. E.; Luo, H.; Papanikolas, J. M.; Waters, M. L.; Meyer, T. J....

  6. Silver Vanadates

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    H. Peng, J. Im, A. Freeman, N. Perry, A. Zakutayev, P. Ndione, D. Ginley, J. Perkins, Chem. Mater. 24(17), 3346-3354 (2012). (Left) Calculated density of states (DOS)....

  7. Microsoft Word - lblsubethers.doc

    Office of Scientific and Technical Information (OSTI)

    ... Coordinates, energies E and free energies G in a. u. of all calculated extrema. 24 ... Soc. Chem. Commun., 1983, 276. 4) M. E. Thompson, S. M. Baxter, A. R. Bulls, B. J. Berger, ...

  8. Reversible Sigma C-C Bond Formation

    Office of Scientific and Technical Information (OSTI)

    ... C. N.; Scott, B. L.; Da Re, R. E.; Thompson, J. D.; Kiplinger, J. L.; Morris, D. E.; ... Chem. 2007, 3151. (9) Trifonov, A. A.; Fedorova, E. A.; Fukin, G. K.; Dmzhkov, N. O.; ...

  9. Media Conference Call Advisory: U.S. Department of Energy's Argonne...

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

    Laboratory, General Motors and LG Chem plan to make an announcement about advanced lithium-ion battery technology for electrified vehicles. At 2:30 p.m., ET on Thursday,...

  10. Ba{sub 2}TeO as an optoelectronic material: First-principles...

    Office of Scientific and Technical Information (OSTI)

    and with a 2.93 eV optical bandgap Besara et al., J. Solid State Chem. 222, 60 (2015). ... Resource Relation: Journal Name: Journal of Applied Physics; Journal Volume: 117; ...

  11. 1

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    mission laser tool heads to JPL September 21, 2010 Star Wars photon gun will give Mars rover hands-free rock ID LOS ALAMOS, New Mexico, September 21, 2010-The ChemCam instrument ...

  12. b817285d 507..515

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    Thomas D. Perroud, Robert J. Meagher, Michael P. Kanouff, Ronald F. Renzi, Meiye Wu, Anup ... Anal. Chem., 2002, 74, 784-789. 20 R. F. Renzi, J. Stamps, B. A. Horn, S. Ferko, V. A. ...

  13. Homesteading on the Pajarito Plateau topic of inaugural lecture...

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    investigator of the ChemCam team Roger Wiens. Nov. 13, 2013: Retired Los Alamos physicist John C. Hopkins reflects on his Cold War career in the weapons program. Dec. 11, 2013:...

  14. National Laboratory

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    and principal investigator of the ChemCam team Roger Wiens. * Nov. 13, 2013: Retired Los Alamos physicist John C. Hopkins reflects on his Cold War career in the weapons program....

  15. National Laboratory

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

    principal investigator of the ChemCam team Roger Wiens. * Nov. 13, 2013: Retired Los Alamos physicist John C. Hopkins reflects on his Cold War career in the weapons program. - 3 -...

  16. Energy Blog | Department of Energy

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

    Curiosity rover's ChemCam, which uses a laser and camera to hunt for traces of water on Mars. June 11, 2015 Zoomed-in image from the Dark Energy Camera of the barred spiral...

  17. Recent News from the National Labs | Department of Energy

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

    Curiosity rover's ChemCam, which uses a laser and camera to hunt for traces of water on Mars. June 11, 2015 Zoomed-in image from the Dark Energy Camera of the barred spiral...

  18. Energy Media Advisories | Department of Energy

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

    Thursday, January 6, 2011, DOE Acting Under Secretary Cathy Zoi; Argonne Lab's Director Eric Issacs; GM Ventures President, Jon Lauckner; and LG Chem Power Inc.'s Mohamed Alamgir,...

  19. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar...

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

    LINK 2. Concepcion, J. J.; Jurss, J. W.; Norris, M. R.; Chen, Z.; Templeton, J. L.; Meyer, T. J. Catalytic Water Oxidation by Single-Site Ruthenium Catalysts. Inorg. Chem....

  20. Covalent Attachment of Diamondoid Phosphonic Acid Dichlorides...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: US DOE Office of Science (DOE SC) Country of Publication: United States Language: English Subject: CHEM Word Cloud More Like This Full Text Journal Articles Find in ...

  1. Moderate Doping Leads to High Performance of Semiconductor/Insulator...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: US DOE Office of Science (DOE SC) Country of Publication: United States Language: English Subject: CHEM Word Cloud More Like This Full Text Journal Articles Find in ...

  2. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous ... ; Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru ; Ivanova, T.I. ; Koshkid'ko, Yu.S. ...

  3. RPT_PERIOD","R_S_NAME","LINE_NUM","PROD_CODE","PROD_NAME","PORT...

    U.S. Energy Information Administration (EIA) Indexed Site

    RP",31,820,"UNFINISHED OILS, NAPHTHAS & LIGHTER",5312,"CORPUS CHRIS, TX","TEXAS",3,830,"SPAIN",219,0,0,"CITGO REFG & CHEM INC","CORPUS CHRISTI","TX","TEXAS",3 34000,"CITGO PETRO...

  4. 35461,"AECTRA REFG & MKTG",1,152,"MOTOR GAS, OTHER FINISHED"...

    U.S. Energy Information Administration (EIA) Indexed Site

    CORP",26,840,"UNFINISHED OILS, HEAVY GAS OILS",5312,"CORPUS CHRIS, TX","TEXAS",3,830,"SPAIN",216,0,0,"CITGO REFG & CHEM INC","CORPUS CHRISTI","TX","TEXAS",3 35461,"CITGO PETRO...

  5. RPT_PERIOD","R_S_NAME","LINE_NUM","PROD_CODE","PROD_NAME","PORT...

    U.S. Energy Information Administration (EIA) Indexed Site

    AMER",5,822,"NAPHTHA ( < 401 DEGREES F ENDPOINT)",5301,"HOUSTON, TX","TEXAS",3,830,"SPAIN",24,0,0,,,,, 35826,"EXXON CHEM AMER",6,822,"NAPHTHA ( < 401 DEGREES F...

  6. Uranium and thorium complexes of the phosphaethynolate ion

    Office of Scientific and Technical Information (OSTI)

    ... Chem., 1986, 25, 1756-1760. 24 C. Camp, O. Cooper, J. ... Ed., 2011, 50, 5965-5968. 26 O. P. Lam, L. Castro, B. Kosog, ... G. Bombieri, Polyhedron, 1992, 11, 1765-1770. 54 T. ...

  7. CNMS Soft Matter workshop

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

    Mamontov (Chem. & Eng. Materials Div SNS) 11:30am-12:00pm IT-2 "Combining light and neutron scattering to understand aqueous solution block copolymer self-assembly" Dr. Vivek...

  8. Vehicle Technologies Office Merit Review 2015: A 12V Start-Stop Li Polymer Battery Pack

    Broader source: Energy.gov [DOE]

    Presentation given by LG Chem Power at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about A 12V start-stop Li polymer...

  9. Third DOE BES Separations Research Workshop | U.S. DOE Office...

    Office of Science (SC) Website

    Richard Gordon Richard.Gordon@science.doe.gov DOEBES Separations & Analysis Prog. Dr. Charles H Byers cbyers@isopro.net Chem Tech Division Oak Ridge National Laboratory Dr. Hank ...

  10. NERSC-ScienceHighlightSlidesJune2010V4.pptx

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

    but their structure is difficult to obtain experimentally. J. Phys. Chem. A 2010, 114, 2189-2200 Hydrogen bonds from the simulation. The key result from this work is the...

  11. Chemistry of Metal Contaminants in Water

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

    See the Journal of Chemical Physics 128 124507 (2008); J. Phys. Chem. A 114 2189-2200 (2010); and Journal of Chemical Physics 132, 194502 (2010) Last edited: 2011-04-22...

  12. Limnia Inc | Open Energy Information

    Open Energy Info (EERE)

    energy company providing hardware, chem ware and software solutions for solid state energy storage. References: Limnia Inc.1 This article is a stub. You can help OpenEI by...

  13. SSRLUO 1999 Executive Committee Members | Stanford Synchrotron...

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

    Stanford CA 94305 Work: 650-723-7513 Fax: Email: trainor@pangea.stanford.edu Joe Wong Dept of Chem & Mat Science PO Box 808, L-356 Livermore CA 94551 Work:(510) 423-6385...

  14. SSRLUO 1998 Executive Committee Members | Stanford Synchrotron...

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

    Francisco CA 94080 Ph: (415) 225-2523 Fax: (415) 225-3734 E-mail: devos@gene.com Joe Wong Dept of Chem & Mat Science PO Box 808, L-356 Livermore CA 94551 Work:(510) 423-6385...

  15. Evaluation of the exothermicity of the chemi-ionization reaction...

    Office of Scientific and Technical Information (OSTI)

    Authors: Cox, Richard M ; Kim, JungSoo ; Armentrout, P. B., E-mail: armentrout@chem.utah.edu, E-mail: mheaven@emory.edu, E-mail: albert.viggiano@us.af.mil 1 ; Bartlett, Joshua ; ...

  16. OSTI, US Dept of Energy, Office of Scientific and Technical Informatio...

    Office of Scientific and Technical Information (OSTI)

    Mars Science Laboratory Curiosity - ChemCam by Dr. William Watson on Wed, Sep 12, 2012 NASAJPL-Caltech How do you run chemical tests at a geologic site millions of miles away from ...

  17. OSTI, US Dept of Energy, Office of Scientific and Technical Informatio...

    Office of Scientific and Technical Information (OSTI)

    Mars Science Laboratory Curiosity - ChemCam by Dr. William Watson 12 Sep, 2012 in Science Communications NASAJPL-Caltech How do you run chemical tests at a geologic site millions ...

  18. OSTIblog Posts by Dr. William Watson | OSTI, US Dept of Energy...

    Office of Scientific and Technical Information (OSTI)

    William Watson's picture Physicist Mars Science Laboratory Curiosity - ChemCam NASAJPL-Caltech Published on Sep 12, 2012 How do you run chemical tests at a geologic site millions ...

  19. Mars Science Laboratory on Saturday, Los Alamos National Laboratory...

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

    light on Mars habitability November 28, 2011 LANL ChemCam will help unravel mysteries of Red Planet's composition LOS ALAMOS, New Mexico, November 28, 2011-With the successful...

  20. 1

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

    a half-kilometer route that tell a complex story about the gradual desiccation of the Red Planet. Perhaps most notable among findings from the ChemCam team is that all of the...

  1. New Biorefinery Will Bring Jobs to Northeastern Oregon

    Broader source: Energy.gov [DOE]

    In northeastern Oregon, ZeaChem, a Colorado-based biofuel company, recently broke ground on a 250,000 gallon integrated cellulosic biorefinery. The technology development project is expected to be operating in 2011.

  2. Photo of the Week: Laser Beats Rock | Department of Energy

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

    Laser Beats Rock Photo of the Week: Laser Beats Rock April 8, 2013 - 5:28pm Addthis On August 5, 2012, the Curiosity rover touched down on the surface of Mars. The ChemCam ...

  3. 1

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

    old) that are distinctly light in color, which were analyzed by the ChemCam instrument.French and U.S. scientists observed images and chemical - 2 - results of 22 of these rock...

  4. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar...

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

    Photoanode. J. Mater. Chem. A 2015, ASAP. LINK 216. McCullough, S. M.; Flynn, C. J.; Mercado, C. C.; Nozik, A. J.; Cahoon, J. F. Compositionally-tunable mechanochemical synthesis...

  5. Brnsted Acidity in Metal-Organic Frameworks | Center for Gas...

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

    Brnsted Acidity in Metal-Organic Frameworks Previous Next List Jiang, Juncong and Yaghi, Omar, M. Bronsted Acidity in Metal-Organic Frameworks. Chem. Rev., 115, 6966-6997 (2015)....

  6. Iron(IV)hydroxide pKa and the Role of Thiolate Ligation in C...

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

    and M. Green, Science 330, 933 (2010) C. Krest, E. Onderko, T. Yosca, J. Calixto, R. Karp, J. Livada, J. Rittle, and M. Green, J. Biol. Chem. 88, 17074 (2013) Primary Citation:...

  7. Reporting Macro for Chemstation in support of OPCW

    Energy Science and Technology Software Center (OSTI)

    2006-06-28

    This OPCW Macro is used with Agilent Technologies "MSD ChemStation" to display mass spectral data in a format convenient for reporting to the Organization for the Prohibition of Chemical Weapons.

  8. Los Alamos instrument to shine light on Mars habitability

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

    LANL ChemCam will help unravel mysteries of Red Planet's composition LOS ALAMOS, New Mexico, November 28, 2011-With the successful launch of the Mars Science Laboratory on...

  9. LBNL-50991

    Office of Scientific and Technical Information (OSTI)

    ... Can. J. Chem. Eng., 66, 319-323. Evelein, K.A., Moore, R.G., and Heidemann, R.A., 1976. Correlation of the phase behavior in the systems hydrogen sulfide-water and carbon ...

  10. Slide 1

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

    provides a strategy to rationally predict solvents and improve yield. Xiong, R.C.; Sandler, S.I.; Vlachos, D.G.; Dauenhauer, P. J., Green Chem. 2014, 16, 4086-4091....

  11. RSC_CC_C1CC11440A 1..3

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

    on 26 April 2011 on http:pubs.rsc.org | doi:10.1039C1CC11440A View Article Online This journal is c The Royal Society of Chemistry 2011 Chem. Commun., 2011, 47, 7320-7322 7321...

  12. Microsoft PowerPoint - Lubimtsev_2013_CNMS_StaffScienceHighlight...

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

    C. Kent, Bobby G. Sumpter, P. Ganesh, "Understanding the Origin of High-Rate Intercalation Pseudocapacitance in Nb 2 O 5 Crystals", (2013) J. Mater. Chem. A DOI: 10.1039C3TA13316H...

  13. Rami Hourani | Center for Gas SeparationsRelevant to Clean Energy...

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

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  14. Brett Helms | Center for Gas SeparationsRelevant to Clean Energy...

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

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  15. Ting Xu | Center for Gas SeparationsRelevant to Clean Energy...

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

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  16. Slide 1

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

    LiBr MSH and Brnsted acid and not by LiBr. Metal salts could potentially serve as Lewis acids for "one- pot" downstream tandem reactions. Deng et al. Ind. Eng. Chem. Res....

  17. Fragment Screen against HIV Protease: Discovery of Two Allosteric...

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

    Screen against HIV Protease. Chem. Biol. Drug Des. 75: 257-268. References Brenner, B., Routy, J-P., Quan, Y., Moisi, D., Oliveira, M., Turner, D., Wainberg, M. A. &...

  18. Hydrocarbon Separations in Metal-Organic Frameworks | Center...

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    Hydrocarbon Separations in Metal-Organic Frameworks Previous Next List Zoey R. Herm, Eric D. Bloch, and Jeffrey R. Long, Chem. Mater., 26 (1), pp 323-338 (2014) DOI: 10.1021...

  19. High-Throughput Characterization of Porous Materials Using Graphics...

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    High-Throughput Characterization of Porous Materials Using Graphics Processing Units Previous Next List J. Kim, R. L. Martin, O. Rubel, M. Haranczyk, and B. Smit, J. Chem. Theory...

  20. Office of Science, Basic Energy Sciences

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

    R. Adzic, et al., Nature Materials 8, 325 (2009) 16 V Komanicky, H Iddir, K-C Chang, A Menzel, G Karapetrov, D Hennessy, P Zapol, H You, J. Am. Chem. Soc. 131, 5732...

  1. 1

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

    goes according to plan, ChemCam could fire its first laser pulses at a Martian rock on Sol 10 or 11 (August 18 or 19).Because Curiosity's mission is scheduled to last an entire...

  2. Microsoft Word - NETL-TRS-X-2014_Development of Fiber Optic Sensors...

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

    ... Chem. 2008, 80, 4269-4283. Wong, W. C.; Chan, C. C.; Hu, P.; Chan, J. R.; Low, Y. T.; Dong, X.; Leong, K. C. Miniature pH optical fiber sensor based on waist-enlarged bitaper and ...

  3. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    cities having >10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions...

  4. Grant No. DE-FG03-86ER-13469

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

    6 J Vibrational Spectra of Isomers of C1&: The Role of the Chlorine Oxide Dimer in A - -tic Ozone Depleting Mechanisms", J. Phys. Chem, 94,6126 (1990). McGrath, M. P. and Rowland,...

  5. DOE Science Showcase - "Curiosity" R&D | OSTI, US Dept of Energy...

    Office of Scientific and Technical Information (OSTI)

    Learn more about ChemCam, the MMRTG, Signs of Life, and Beyond Curiosity in the white paper Department of Energy R&D for the Mars Science Laboratory, by Dr. William Watson, ...

  6. bia-pulse | netl.doe.gov

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

    4 Pulse Combustor Design Qualification Test - Project Brief [PDF-275KB] ThermoChem, Inc., Baltimore, MD PROGRAM PUBLICATIONS Final Reports Pulse Combustor Design Qualification Test and Clean Coal Feedstock Test , Final Report Volume 2: Project Performance and Economics [PDF-10.9MB] (Mar 2002) Prepared by ThermoChem, Inc. CCT Reports: Project Performance Summaries, Post-Project Assessments, & Topical Reports Pulse Combustor Design: A DOE Assessment [PDF-579KB] (July 2003) Design Reports Pulse

  7. Producing Clean, Renewable Diesel from Biomass | Department of Energy

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

    Clean, Renewable Diesel from Biomass Producing Clean, Renewable Diesel from Biomass November 30, 2011 - 12:08pm Addthis ThermoChem Recovery International's process demonstration unit -- where wood waste and forest residue is converted into renewable fuel. | Courtesy of TRI. ThermoChem Recovery International's process demonstration unit -- where wood waste and forest residue is converted into renewable fuel. | Courtesy of TRI. Paul Bryan Biomass Program Manager, Office of Energy Efficiency &

  8. Biographical sketch - James Allen | Center for Bio-Inspired Solar Fuel

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

    Production James Allen a. Professional Preparation Saint Joseph's University, Philadelphia Physics B.S. 1977 University of Illinois, Urbana Physics M.S. 1979 University of Illinois, Urbana Physics Ph.D. 1982 University of California, San Diego Biophysics Postdoctorial Studies 1982-1989 b. Area of Specialization: photosynthesis, structural biology c. Appointments Arizona State University, Associate Chair Chem. & Biochem. 2006 - present Arizona State University, Professor Chem. &

  9. A LANL Scientist's Dream Takes Off to Zap Rocks on Mars

    ScienceCinema (OSTI)

    Wiens, Roger

    2012-08-02

    Roger Wiens, with a team of 40 people at Los Alamos National Laboratory and the collaboration of the French space institute IRAP, created ChemCam, a laser spectrometer and telescope device aboard the Curiosity rover. ChemCam will blast rocks from as far as 7 meters, vaporize bits of their surfaces, and spectroscopically determine their chemical composition, aiding in the search for life on Mars, and making this scientist's boyhood dream a reality.

  10. Isostructural Metal-Organic Frameworks Assembled from Functionalized

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

    Diisophthalate Ligands through a Ligand-Truncation Strategy | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Isostructural Metal-Organic Frameworks Assembled from Functionalized Diisophthalate Ligands through a Ligand-Truncation Strategy Previous Next List Yangyang Liu, Jian-Rong Li, Wolfgang M. Verdegaal, Tian-Fu Liu, Hong-Cai Zhou, Chem. Eur. J., 19: 5637-5643 (2013) DOI: 10.1002/chem.201203297 nfig001.gif Four isostructural metal-organic frameworks

  11. Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based

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

    Separations | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations Previous Next List Richard L. Martin, Thomas F. Willems, Li-Chiang Lin, Jihan Kim, Joseph A. Swisher, Berend Smit, Maciej Haranczyk, ChemPhysChem 13, 3595 - 3597 (2012) DOI: 10.1002/cphc.201200554 Abstract: Crystalline porous materials can be exploited in many applications. Discovery of materials with optimum

  12. Understanding the effect of side groups in ionic liquids on carbon-capture

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

    properties: a combined experimental and theoretical effort | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome 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 Damodaran, Erik Albenze, Robert L. Thompson, Jihan Kim, Maciej Haranczyk, Hunaid B. Nulwala, David R. Luebke and Berend Smit, Phys. Chem. Chem. Phys., 2013,15, 3264-3272 DOI:

  13. Melih Sener | Photosynthetic Antenna Research Center

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

    Melih Sener Melih Sener Melih Sener Visiting Scholar E-mail: melih@ks.uiuc.edu Website: University of Illinois at Urbana-Champaign Selected Publications Şener M, Strümpfer J, Hsin J, Chandler D, Scheuring S, Hunter CN and Schulten K (2011) Förster Energy Transfer Theory as Reflected in the Structures of Photosynthetic Light-Harvesting Systems. ChemPhysChem 12:518-531. Research and Technical Associates

  14. Microstructural effects on the oxygen exchange kinetics of La{<_0.7}Sr{<_0.3}MnO{<_3} thin films.

    SciTech Connect (OSTI)

    Yan, L.; Kavaipatti, B.; Chang, K-C.; You, H.; Salvador, P.

    2011-01-01

    We investigated the relative contribution of the native surface and of the grain boundaries intersecting the surface to the chemical surface exchange of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSM) thin films. The chemical surface exchange coefficients, k{sub chem}, were determined using electrical conductivity relaxation (ECR). Two k{sub chem} values were obtained, indicating two surface exchange processes occurred in parallel. These two k{sub chem} values had different activation energies (Ea), which were interpreted as belonging to (1) the native surface response of individual grains/variants and (2) the variant/grain boundaries of the textured films. The first process has an activation energy of E{sub a,1} {approx} 1.57 eV, while E{sub a,2} {approx} 0.87 eV. The k{sub chem,2} values are almost 3 orders of magnitude higher than the k{sub chem,1} values at low temperatures. At higher temperatures, the data can be fit with one k{sub chem} that has an intermediate value of Ea, indicative of a transition region.

  15. J.L. Raaf, University of Cincinnati

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

    NuInt '04 18 March 2004 n/p ν µ ν µ π 0 → γγ n/p ¡ ¢ £¤ ¥¦ § ¢ ¤ ¤ ¡ ¨ £ π 0 © ¨ £ ¡ ¤ ¥  £  ¨  ¥ £   ¨       MiniBooNE  NC π 0 cross section measurements and predictions  Data/NUANCE/NEUGEN/NEUT comparisons NuInt '04 Jennifer L. Raaf University of Cincinnati J.L. Raaf, University of Cincinnati NuInt '04 18 March 2004    !  " #$ % & " ' " ( '  ) 0 8

  16. Interlanguage Programming

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

    Interlanguage Programming Interlanguage Programming This page provides examples of compilation and running scripts when mixing C/C++ with Fortran codes. C/MPI Main Calling Fortran Subroutine Here is a full example of a parallel C code using MPI which calls a Fortran subroutine. The Fortran subroutine sets a number of data values based on the MPI task ID. The code is compiled and run using the batch system. C Source Code % cat cmainmpi.c #include "mpi.h" int main(int argc, char* argv[])

  17. The ORNL Chemical Technology Division, 1950-1994

    SciTech Connect (OSTI)

    Jolley, R.L.; Genung, R.K.; McNeese, L.E.; Mrochek, J.E.

    1994-10-01

    This document attempts to reconstruct the role played by the Chemical Technology Division (Chem Tech) of the Oak Ridge National Laboratory (ORNL) in the atomic era since the 1940`s related to the development and production of nuclear weapons and power reactors. Chem Tech`s early contributions were landmark pioneering studies. Unknown and dimly perceived problems like chemical hazards, radioactivity, and criticality had to be dealt with. New chemical concepts and processes had to be developed to test the new theories being developed by physicists. New engineering concepts had to be developed and demonstrated in order to build facilities and equipment that had never before been attempted. Chem Tech`s role was chemical separations, especially uranium and plutonium, and nuclear fuel reprocessing. With diversification of national and ORNL missions, Chem Tech undertook R&D studies in many areas including biotechnology; clinical and environmental chemistry; nuclear reactors; safety regulations; effective and safe waste management and disposal; computer modeling and informational databases; isotope production; and environmental control. The changing mission of Chem Tech are encapsulated in the evolving activities.

  18. Cell Simulation Package for Reactions and Diffusion

    Energy Science and Technology Software Center (OSTI)

    2005-04-01

    ChemCell is a simulation package designed for modeling signalling, regulatory, and metabolic pathways in biological cells. It reads input flies that describe the geomeby of the cell and positions of particles that represent proteins, protein complexes, and other bio-molecules. It also reads in lists of reactions and associated rates and other boundary condition information. ChemCell then models the reaction and diffusion of these particles within the cellular geometry as they interact overtime. It produces statisticalmore » information about the state of the cell, as well as snapshots of the reaction network. We anticipate ChemCell will be useful to researchers who wish to perform spatio-temporal modeling of cellular processes and who wish to develop new models or algorithms to add to the code. Thus ChemCell is also designed to be easy to modify and extend. The ChemCell package includes auxiliary codes for setting up problems and analyzing output.« less

  19. 2010-2011 Working Groups website

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

    2010---2011 Inorganic P V Sept. 2 7 MSE c onf. r oom - 3 062A D ow Jamie P hillips l eading Oct. 1 8 POD r oom - 3 158 D ow Simon H uang ( Goldman) p resenting Nov. 1 ChemE C onf. r oom - 3 074 D ow Sung J oo ( Pan) p resenting Nov. 1 5 ChemE C onf. r oom - 3 074 D ow Andy M artin ( Mirecki---Millunchick) p resenting Dec. 1 3 ChemE C onf. r oom - 3 074 D ow Larry A agesen ( Thornton) p resenting Feb. 1 3062A Dow ( MSE c onf), 9 :30am Jamie P hillip's g roup p resenting Feb. 2 2 3158 D ow ( POD r

  20. Electronic structure of cation-codoped TiO{sub 2} for visible-light photocatalyst applications from hybrid density functional theory calculations

    SciTech Connect (OSTI)

    Long, Run; English, Niall J.

    2011-04-04

    The electronic structures of Mg/Ca- and/or Mo/W- (mono- and co-) doped anatase TiO{sub 2} have been investigated via generalized Kohn-Sham theory with the Heyd-Scuseria-Ernzerhof hybrid functional for exchange-correlation (J. Heyd et al., [J. Chem. Phys. 118, 8207 (2003)], J. Heyd et al., [J. Chem. Phys. 124, 219906 (2006)], and J. Paier et al., [J. Chem. Phys. 125, 249901 (2006)]), in the context of density functional theory. Gap narrowing is small for monodoping, which also creates impuritiy bands in the ''forbidden gap,'' either as acceptor or donor states, limiting possible utility as visible-light photocatalysts. However, codoping of Mg/Ca and Mo/W not only induces appreciable gap narrowing, but also serves to passivate the impurity bands, which can harvest visible-light to a greater extent. Considering ionic radii, Mg and Mo should constitute the best cation-pair.

  1. Chemical Technology Division progress report for the period April 1, 1985 to December 31, 1986

    SciTech Connect (OSTI)

    Not Available

    1987-08-01

    This progress report summarizes the research and development efforts conducted in the Chemical Technology Division (Chem Tech) during the period April 1, 1985, through December 31, 1986. The following major areas are covered in the discussion: nuclear and chemical waste management, environmental control technology, basic science and technology, biotechnology research, transuranium-element processing, Nuclear Regulatory Commission programs, radioactive materials production, computer/engineering applications, fission energy, environmental cleanup projects, and various other work activities. As an appendix, the Administrative Summary presents a comprehensive compilation of publications, oral presentations, awards and recognitions, and patents of Chem Tech staff members during this report period. An organization chart, a staffing level and financial summary, and lists of seminars and Chem Tech consultants for the period are also included to provide additional information. 78 figs., 40 tabs.

  2. Speech of italian ambassador

    ScienceCinema (OSTI)

    None

    2011-04-25

    L'ambassadeur italien (nom?)fait un discours sur l'aspect de la recherche au Cern, une organisation internationale qui a comme but la connaissance dans sa forme la plus pure et libre d'un intérêt planétaire. Il remet un prix au DG C.Rubbia qui lui remercie en français

  3. Slide 1

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

    no t re fle ct all wo rk IU Iso lat ed Un it RO D Re co rd of De cis ion TS D Tre atm en t, Sto rag e, Dis po sa l K A re a K Ea st Ba sin De mo lish ed Int eri m Sa...

  4. Time and motion study for alternative mixed low-level waste treatment systems

    SciTech Connect (OSTI)

    Biagi, C.; Vetromile, J.; Teheranian, B.

    1997-02-01

    The time and motion study was developed to look at time-related aspects of the technologies and systems studied in the Integrated Thermal Treatment Systems (ITTS) and Integrated Nonthermal Treatment Systems (INTS) studies. The INTS and ITTS studies combined technologies into systems and subsystems for evaluation. The system approach provides DOE a method of measuring advantages and disadvantages of the many technologies currently being researched. For example, technologies which are more likely to create secondary waste or require extensive pretreatment handling may be less desirable than technologies which require less support from other processes. The time and motion study was designed to address the time element in the INTS and ITTS systems studies. Previous studies have focused on material balance, cost, technical effectiveness, regulatory issues, community acceptance, and operability. This study looks at system dynamics by estimating the treatment time required for a unit of waste, from receipt to certification for shipping. Labor estimates are also developed, based on the time required to do each task for each process. This focus on time highlights critical path processes and potential bottlenecks in the INTS and ITTS systems.

  5. 1

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

    all-women's operations day June 30, 2014 Curiosity Rover celebrates one year on Red Planet The Mars Curiosity Rover celebrated one year on the Red Planet last week, and to commemorate the event, LANL ChemCam team members had an all-women operations day at the instrument Operations Center in downtown Los Alamos. The ChemCam instrument was developed by Laboratory researchers and is one of 10 instruments aboard the Rover, which is investigating the habitability of Mars. During its mission so far,

  6. New Mars exhibit at the Bradbury Science Museum

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

    New Mars Exhibit At Bradbury Science Museum Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:Mar. 2016 all issues All Issues » submit New Mars exhibit at the Bradbury Science Museum The Lab has three pieces of equipment on the rover: ChemCam, ChemMin, and a power source. August 1, 2012 dummy image Read our archives Contacts Editor Linda Anderman Email Community Programs Office Kurt Steinhaus Email To coincide with the arrival of NASA's

  7. Faces of Science: Roger Wiens

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

    Roger Wiens March 4, 2015 Wiens' passion for space has no limits At nine years old, Roger Wiens built a telescope to sketch the features of Mars. 1:23 Faces of Science: Roger Wiens - 2 - Forty years later he returned to the Red Planet, this time as part of a team that invented ChemCam, a device aboard the rover Curiosity. Using a laser that packs the energy of a million light bulbs into a spot the size of a pinhead, ChemCam blasts pieces of Martian rock in search of elements like carbon and

  8. In the OSTI Collections: Keeping Power Grids Stable | OSTI, US Dept of

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

    Energy, Office of Scientific and Technical Information Keeping Power Grids Stable (plus, an update on the Mars Science Laboratory "Curiosity" and its ChemCam) The Relation of Grid Stability to the "Smart Grid" Concept Update: the Mars Science Laboratory's ChemCam References Additional References Research Organizations Reports Available through OSTI's SciTech Connect Figure 1. The Continental U.S. power transmission grid consists of about 300,000 km of lines operated by

  9. Journal Cover Stories

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

    Liu2010.jpg Methanol Synthesis from H2 and CO2 on a Mo6S8 Cluster: A Density Functional Study October 30, 2009 | Author(s): Ping Liu, YongMan Choi, Y. Yang and M. G. White | Source: J. Phys. Chem. A | Category: Chemistry | URL: http://dx.doi.org/10.1021/jp906780a Download Image: Liu2010.jpg | jpg | 2.1 MB J. Phys. Chem. A, 2010, 114 (11), pp 3888-3895 ChingCoverPaper.png A Genomic Approach to the Stability, Elastic, and Electronic Properties of the MAX Phases June 24, 2014 | Author(s): S. Aryal,

  10. Conference

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

    data abundant at Planetary Conference March 15, 2013 Laser instrument aboard Curiosity rover provides well over 40,000 shots so far LOS ALAMOS, N. M., March 15, 2013-Members of the Mars Science Laboratory Curiosity rover ChemCam team will present more than two dozen posters and talks next week during the 44th Lunar and Planetary Science Conference in The Woodlands, Texas. "ChemCam has performed flawlessly in its first six months, providing more than a gigabyte of exciting new information

  11. Crater

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

    Planetary scientist to discuss Curiosity rover's visit to Mars May 23, 2014 May 28 lecture examines data collected from Gale Crater LOS ALAMOS, N.M., May 23, 2014-Agnes Cousin-Pilleri, a post-doctoral researcher in Los Alamos National Laboratory's Chemistry Division, will discuss the trailblazing discoveries made by the ChemCam instrument on the Curiosity rover on Mars from noon to 1 p.m. May 28 at the Bradbury Science Museum. "ChemCam is providing one of the largest and most powerful

  12. Los Alamos science sleuth on the trail of a martian mystery

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

    Trail of a martian mystery Los Alamos science sleuth on the trail of a martian mystery When it comes to examining the surface of rocks on Mars with a high-powered laser, five is a magic number for LANL postdoctoral researcher Nina Lanza. March 19, 2013 This dual image of a Martian rock taken by the ChemCam instrument aboard the Curiosity rover shows a rock at the "Rocknest" area on Mars before it was interrogated with ChemCam's high-powered laser (left) and after interrogation by 600

  13. Mars mission laser tool heads to JPL

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

    Mars mission laser tool Mars mission laser tool heads to JPL Curiosity will carry the newly delivered laser instrument to reveal which elements are present in Mars' rocks and soils. September 21, 2010 A bright ball of plasma is produced by ChemCam's invisible laser beam striking a rock within the Mars sample chamber. A bright ball of plasma is produced by ChemCam's invisible laser beam striking a rock within the Mars sample chamber. Contact Nancy Ambrosiano Communications Office (505) 667-0471

  14. 2013 Publications | Argonne National Laboratory

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

    3 Publications A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z A Alvarez C. J., Liu Y., Leonard R. L., Johnson J. A. and Petford-long A. K., "Nanocrystallization in Fluorochlorozirconate Glass-Ceramics," J. Am. Ceram. Soc., 96, 3617-3621 (2013) (Link) An C., Wang J., Liu J., Wang S. and Sun Y., "Hollow AgI:Ag Nanoframes as Solar Photocatalysts for Hydrogen Generation from Water Reduction," ChemSusChem, 6, 1931-1937 (2013)

  15. Seawater Chemistry Package

    Energy Science and Technology Software Center (OSTI)

    2005-11-23

    SeaChem Seawater Chemistry package provides routines to calculate pH, carbonate chemistry, density, and other quantities for seawater, based on the latest community standards. The chemistry is adapted from fortran routines provided by the OCMIP3/NOCES project, details of which are available at http://www.ipsl.jussieu.fr/OCMIP/. The SeaChem package can generate Fortran subroutines as well as Python wrappers for those routines. Thus the same code can be used by Python or Fortran analysis packages and Fortran ocean models alike.

  16. Metal-Organic Frameworks as Biomimetic Catalysts | Center for Gas

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

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome as Biomimetic Catalysts Previous Next List Zhi-Yuan Gu, Jihye Park, Aaron Raiff, Zhangwen Wei, Hong-Cai Zhou, ChemCatChem, 6, 67-75 (2014) DOI: 10.1002/cctc.201300493 nfig001.gif Abstract: In this Minireview, we have summarized the recent progress of biomimetic catalysis in the field of metal-organic frameworks (MOFs) with a focus on the implantation of biomimetic active sites into a stable MOF. In addition, the potential of

  17. LOS ALAMOS, New Mexico, August 6, 2012-Los Alamos National Laboratory

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

    instrument arrives on Red Planet's surface August 6, 2012 LANL ChemCam to be tested soon and will begin probing Mars mysteries LOS ALAMOS, New Mexico, August 6, 2012-Los Alamos National Laboratory scientists are elated by Sunday's successful landing of NASA's Curiosity rover on Mars, and are ready to begin a nearly two-year-long mission that will use a rock-zapping laser device mounted on the mast of the SUV-sized rover to help unravel mysteries of the Red Planet. The ChemCam laser

  18. Selective Gas Adsorption in the Flexible Metal-Organic Frameworks

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

    Cu(BDTri)L (L = DMF, DEF) | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Selective Gas Adsorption in the Flexible Metal-Organic Frameworks Cu(BDTri)L (L = DMF, DEF) Previous Next List A. Demessence and J. R. Long, Chem.-Eur. J. 16 (20), 5902 (2010) DOI: 10.1002/chem.201000053 Thumbnail image of graphical abstract Abstract Use of the ditopic ligand 1,4-benzenedi(1H-1,2,3-triazole) (H2BDTri) enabled isolation of two new three-dimensional metal-organic

  19. Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making

    DOE Patents [OSTI]

    Gakh, Andrei A.; Vovk, Mykhaylo V.; Mel'nychenko, Nina V.; Sukach, Volodymyr A.

    2012-08-14

    The present disclosure relates to novel compounds having the structural Formulas (1a,1b), stereoisomers, tautomers, racemics, prodrugs, metabolites thereof, or pharmaceutically acceptable salt and/or solvate thereof as chemotherapy agents for treating of cancer, particularly androgen-independent prostate cancer. The disclosure also relates to methods for preparing said compounds, and to pharmaceutical compositions comprising said compounds. CHEM-US-00001" num="00001">embedded imagechem" img-format="tif"/>

  20. CHEMFINAL1400

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

    0-01 I N S P E C T I O N R E P O R T U.S. DEPARTMENT OF ENERGY OFFICE OF INSPECTOR GENERAL OFFICE OF INSPECTIONS INSPECTION OF SELECTED ISSUES OF THE CHEM-BIO FACILITY AT THE OAK RIDGE NATIONAL LABORATORY NOVEMBER 1999 2 MANAGEMENT REACTION Management concurred with the findings and recommendations and initiated appropriate corrective actions. cc: Director, Office of Science Leader, Audit Liaison Team, CR-2 INSPECTION OF SELECTED ISSUES OF THE CHEM-BIO FACILITY AT THE OAK RIDGE NATIONAL

  1. Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals

    SciTech Connect (OSTI)

    Xiao, Yunlong; Zhang, Yong; Liu, Wenjian

    2014-10-28

    Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same direct relativistic mapping between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, and W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].

  2. Slide 1

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

    the end of delithiation Linda Y. Lim et. al., submitted to Chem. Mater. BL 11-3: Watching Batteries In-operando 2 mm 2 mm 2 mm 2 mm 2 mm 0.4 mms 1.6 mms 2.8 mms 4 mms 8 mms...

  3. Vehicle Technologies Office Merit Review 2013: A High-Performance PHEV Battery Pack

    Broader source: Energy.gov [DOE]

    Presentation given by LG Chem at 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting about a high-performance battery pack the company is researching for plug-in electric vehicles.

  4. Metal-Organic Frameworks for Separations | Center for Gas

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

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Metal-Organic Frameworks for Separations Previous Next List Jian-Rong Li , Julian Sculley , and Hong-Cai Zhou, Chem. Rev., 2012, 112 (2), pp 869-932 DOI: 10.1021/cr200190s Journal Cover This article is part of the 2012 Metal-Organic Frameworks special issue.

  5. Brønsted Acidity in Metal-Organic Frameworks | Center for Gas

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

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Brønsted Acidity in Metal-Organic Frameworks Previous Next List Jiang, Juncong and Yaghi, Omar, M. Bronsted Acidity in Metal-Organic Frameworks. Chem. Rev., 115, 6966-6997 (2015). DOI: 10.1021/acs.chemrev.5b00221 Bronsted Acidity in MOFs

  6. Frantisek Svec | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Frantisek Svec Previous Next List svec Formerly: Facility Director, Organic and Macromolecular Synthesis Facility, Lawrence Berkeley National Laboratory Research Interests: Porous polymer materials, monolithic polymer structures, preparation of membranes, separations in gas and liquid phases EFRC publications: Blinova, Natalia; and Svec, Frantisek Functionalized High Performance Polymer Membranes for Separation of Carbon Dioxide and Methane, J. Mater. Chem. A,

  7. Durability of NOx Absorbers | Department of Energy

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

    of NOx Absorbers Durability of NOx Absorbers 2002 DEER Conference Presentation: EmeraChem LLC PDF icon 2002_deer_parks.pdf More Documents & Publications Cleaner Vehicles, Cleaner Fuel & Cleaner Air APBF-DEC Heavy Duty NOx Adsorber/DPF Project: Heavy Duty Linehaul Platform Project Update LNT + SCR Aftertreatment for Medium-Heavy Duty Applications: A Systems Approach

  8. TECHNOLOGY VISION 2020: The U.S. Chemical Industry | Department of Energy

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

    TECHNOLOGY VISION 2020: The U.S. Chemical Industry TECHNOLOGY VISION 2020: The U.S. Chemical Industry PDF icon chem_vision.pdf More Documents & Publications ITP Chemicals: Technology Roadmap for Computational Chemistry Clean Energy Manufacturing Initiative Midwest Regional Summit: Lightweighting Breakout Session Summary TECHNOLOGY VISION 2020: The U.S. Chemical Industry Chapter 6 - Innovating Clean Energy Technologies in Advanced Manufacturing

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

    SciTech Connect (OSTI)

    Ra, Youngchul; Reitz, Rolf D.

    2011-01-15

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

  10. Inspection Report: S99IS019 | Department of Energy

    Office of Environmental Management (EM)

    9IS019 Inspection Report: S99IS019 June 30, 1999 Inspection of the Chem-Bio Facility at ORNL PDF icon Inspection Report: S99IS019 More Documents & Publications Inspection Report: INS-O-00-01 Inspection Report: IG-0492 Inspection Report: IG-0695

  11. Caltech Campus Map and Directory 2011

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

    INT'L. S C HOLAR S E R VIC E S LIG O I INT'L. S C HOLAR S E R VIC E S LIG O LIG O LIG O S AN PAS QUAL S T. HOLLIS TON AVE . HILL AVE . C ALIFOR NIA B LVD. DE L MAR B LVD. WILS ON AVE . C ATALINA AVE . S AN PAS QUAL S T. C HE S TE R AVE . MIC HIG AN AVE . A R D E N R D . S AN PAS QUAL S HOLLIS TON AVE . S S C a m p u s D i r e c to r y M a p A B C D E 1 2 3 4 5 MOOR E AVE R Y FINANC IAL PAS ADE NA FIR E S TATION # 34 IMS S B E C KMAN AUD B AXTE R KE C K S E R VIC E S WATSON C E S H R STEELE LAB

  12. Flexible feature interface for multimedia sources

    DOE Patents [OSTI]

    Coffland, Douglas R. (Livermore, CA)

    2009-06-09

    A flexible feature interface for multimedia sources system that includes a single interface for the addition of features and functions to multimedia sources and for accessing those features and functions from remote hosts. The interface utilizes the export statement: export "C" D11Export void FunctionName(int argc, char ** argv,char * result, SecureSession *ctrl) or the binary equivalent of the export statement.

  13. View and download all Security Smarts for your safety and security meetings

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

    and download all Security Smarts for your safety and security meetings http://int.lanl.gov/security/documents/index.shtml#security-smarts Note: Security Smarts are current as of the date of publication. SecuritySmart Proof of United States Citizenship for the Badge Offce The Badge Offce is required by law to verify US citizenship. The following lists the acceptable documents that individuals can bring to the Badge Offce. Native-born US Citizens Primary Evidence For an individual born in the

  14. Infrastructure Security

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

    ExcEptional sErvicE in thE national intErEst Investigating Containment Integrity Sandia is a nationally and internationally recognized leader in Nuclear Reactor containment research, supporting operations, lifetime extensions, and security and vulnerability assessments over a broad range of phenomena. Sandia's expertise includes evaluation of containment when subjected to high velocity impacts, enormous pressures and stresses, and attacks by saboteurs. Sandia's resources enable the completion of

  15. 1

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

    03-09) SECTION II GENERAL PROVISIONS FOR INTERNATIONAL COMMERCIAL TRANSACTIONS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I OF THIS CONTRACT. INT01 ACCEPTANCE OF TERMS AND CONDITIONS This Contract integrates, merges, and supersedes any prior offers, negotiations, and agreements concerning the subject matter hereof and constitutes the entire

  16. 1

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

    10-03) SECTION II GENERAL PROVISIONS FOR INTERNATIONAL COMMERCIAL TRANSACTIONS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I OF THIS CONTRACT. INT01 ACCEPTANCE OF TERMS AND CONDITIONS This Contract integrates, merges, and supersedes any prior offers, negotiations, and agreements concerning the subject matter hereof and constitutes the entire

  17. NREL: Transportation Research - Vehicle Thermal Management Publications

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

    Publications Explore NREL's recent publications about light- and heavy-duty vehicle thermal management. For the complete collection of NREL's vehicle thermal management publications, search the NREL Publications Database. All Light-Duty Electric-Drive Light-Duty Conventional Heavy-Duty 2015 Combined Fluid Loop Thermal Management for Electric Drive Vehicle Range Improvement. Leighton, D. (2015). SAE Int. J. Passeng. Cars - Mech. Syst. 8(2):711-720. (Presented at the SAE 2015 World Congress and

  18. United States Industrial Electric Motor Systems Market Opportunities Assessment

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

    O R E W O R D I United States Industrial Electric Motor Systems Market Opportunities Assessment December 2002 This document was originally published by the U.S. Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy (EERE) in Decem- ber 1998. As of fiscal year 2000, DOE's Motor Challenge Program was inte- grated into BestPractices, a broad initiative within EERE. EERE's BestPractices introduces industrial end users to emerging technolo- gies and cost-saving opportunities

  19. Project Submission Template

    Energy Savers [EERE]

    Cooperation Project Title: Country/Organizations: Foreign: Foreign POC: U.S: U.S. POC: Technology Area: Scope of Collaborative Research and Development: Justification of Approach: Work Completed to Date: Overview of Proposed Scope for FY12: Summary Brief Description of Specific Project(s): Timeline: Estimated Cost: Status: CONTINUATION or NEW? Type of Contracting Instrument: (Int'l agreements, lab-lab agreement, etc) Participant Organizations General Scope Budget Foreign (Technical Scope) US

  20. Industry Research for Pipeline Systems Panel

    Office of Environmental Management (EM)

    Pipeline Research Council International, Inc. DOE Natural Gas Infrastructure R&D and Methane Emissions Mitigation Workshop -Industry Research for Pipeline Systems Panel Mike Whelan Director, Research Operations November 12, 2014 2 www.prci.org Pipeline Research Council Int'l. Overview  Founded in 1952 - Current Membership  39 Pipelines, over 350,000 miles of transmission pipe * Natural Gas and Hazardous Liquids Pipelines * 27 members are North American based - Remainder: Europe,

  1. Microsoft PowerPoint - HAB 2012 Final.pptx

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

    fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r Re du ce s th e Ac tiv e Sit e Fo ot pr int of Cl ea nu p to 75 Sq ua re Mi les (5 86 to 75 ) Sig ni fic an tly Re du ce s Lo ng -T erm Mo rtg ag e Co st s At Co m pl eti on , Sh ift s Em ph as is an d Re so ur ce s to Fu ll of th e Ce nt ra l Pla tea u (7 5 sq ua re m ile s) Re du ce s Co st s by "R i Mi ss io Ri ch la nd O pe ra tio ns Of fic e B & C Ar ea Inte rim Saf e Sto rag e f N Ar ea Inte rim

  2. Modeling theta-theta Interactions with the Effective Fragment Potential Method: The Benzene Dimer and Substituents

    SciTech Connect (OSTI)

    Toni Smithl; Lyudmila V. Slipchenko; Mark S. Gordon

    2008-02-27

    This study compares the results of the general effective fragment potential (EFP2) method to the results of a previous combined coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] and symmetry-adapted perturbation theory (SAPT) study [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690] on substituent effects in {pi}-{pi} interactions. EFP2 is found to accurately model the binding energies of the benzene-benzene, benzene-phenol, benzene-toluene, benzene-fluorobenzene, and benzene-benzonitrile dimers, as compared with high-level methods [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690], but at a fraction of the computational cost of CCSD(T). In addition, an EFP-based Monte Carlo/simulated annealing study was undertaken to examine the potential energy surface of the substituted dimers.

  3. Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations

    SciTech Connect (OSTI)

    Siu, Chi-Kit; Zhao, Junfang; Laskin, Julia; Chu, Ivan K.; Hopkinson, Alan C.; Siu , K W Michael

    2009-06-01

    Fragmentations of tautomers of the α-centered radical triglycine radical cation, [GGG*]+, [GG*G]+, and [G*GG]+, are charge-driven, giving b-type ions; these are processes that are facilitated by a mobile proton, as in the fragmentation of protonated triglycine (Rodriquez, C.F. et al. J. Am. Chem. Soc. 2001, 123, 3006 - 3012). By contrast, radical centers are less mobile. Two mechanisms have been examined theoretically utilizing density functional theory and Rice-Ramsperger-Kassel-Marcus modeling: (1) a direct hydrogen-atom migration between two α-carbons, and (2) a two-step proton migration involving a canonical [GGG]*+ as an intermediate. Predictions employing the latter mechanism are in good agreement with results of recent CID experiments (Chu, I.K. et al. J. Am. Chem. Soc. 2008, 130, 7862 - 7872).

  4. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

    SciTech Connect (OSTI)

    Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian (China); Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls Universitt Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

    2014-09-28

    Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in conjunction with the multistate multimode vibronic coupling Hamiltonian (MMVCH) model, we perform a full dimensional (9D) quantum dynamical study on the simplest Criegee intermediate, formaldehyde oxide, in five lower-lying singlet electronic states. The ultraviolet (UV) spectrum is then simulated by a Fourier transform of the auto-correlation function. The MMVCH model is built based on extensive MRCI(8e,8o)/aug-cc-pVTZ calculations. To ensure a fast convergence of the final calculations, a large number of ML-MCTDH test calculations is performed to find an appropriate multilayer separations (ML-trees) of the ML-MCTDH nuclear wave functions, and the dynamical calculations are carefully checked to ensure that the calculations are well converged. To compare the computational efficiency, standard MCTDH simulations using the same Hamiltonian are also performed. A comparison of the MCTDH and ML-MCTDH calculations shows that even for the present not-too-large system (9D here) the ML-MCTDH calculations can save a considerable amount of computational resources while producing identical spectra as the MCTDH calculations. Furthermore, the present theoretical B{sup ~} {sup 1}A{sup ?}?X{sup ~} {sup 1}A{sup ?} UV spectral band and the corresponding experimental measurements [J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 2004520048 (2012); L. Sheps, J. Phys. Chem. Lett. 4, 42014205 (2013); W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 1043810443 (2014)] are discussed. To the best of our knowledge, this is the first theoretical UV spectrum simulated for this molecule including nuclear motion beyond an adiabatic harmonic approximation.

  5. NASA agreements advance Mars exploration, Los Alamos Rover instrument a key

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

    component NASA agreements advance Mars exploration NASA agreements advance Mars exploration, Los Alamos Rover instrument a key component Los Alamos National Laboratory is coordinating with the French science and engineering team on developing SuperCam. June 17, 2015 SuperCam builds upon the successful capabilities demonstrated by ChemCam aboard the Curiosity Rover during NASA's current Mars Mission. SuperCam will allow researchers to sample rocks and other targets from a distance using a

  6. Talk explores Laboratory's 50 years of space research

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

    Talk explores Laboratory's 50 years of space research Talk explores Laboratory's 50 years of space research The talk, titled "Los Alamos National Laboratory's 50 Years in Space," will highlight the Laboratory's significant discoveries and events in the field. October 3, 2013 Laboratory fellow and astrophysicist Ed Fenimore, and Laboratory planetary scientist and principal investigator of the ChemCam team Roger Wiens, will talk about Los Alamos National Laboratory's 50 years of space

  7. Talk Oct. 9 at Bradbury Science Museum

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

    Talk explores Laboratory's 50 years of space research October 3, 2013 Talk Oct. 9 at Bradbury Science Museum LOS ALAMOS, N.M., Oct. 3, 2013-Los Alamos National Laboratory launched its first satellite in 1963, which began an incredible series of space experiments. To celebrate the Laboratory's 50 years of space research and exploration, Roger Wiens, of the Laboratory's Space and Remote Sensing group and principal investigator for the ChemCam instrument used on the Curiosity Rover on Mars, and

  8. American Recovery & Reinvestment Act Newsletter - Issue 13

    Office of Environmental Management (EM)

    Recovery and Reinvestment Act Newsletter d Volume 2, No. 3 d March 2010 Fusion Researchers Gather to Say Goodbye to Pioneering Facility TSTA building saw early advances in nuclear fusion  Fusion Researchers Gather to Say Goodbye to Pioneering Facility ...1  Offi cials Brief Stakeholders on Progress .......................................2  Paul Bellesen is Thrilled to Trade Sun for Dirt ..................................3  'Chem Plant' Decontamination and Decommissioning

  9. Bataan naphtha cracker project. Final report prepared for PNOC Petrochemical Development Corporation (PPDC). Export trade information

    SciTech Connect (OSTI)

    1997-05-01

    The study, conducted by Chem Systems, was funded by the U.S. Trade and Development agency. The final report determines the feasibility of an ethylene/polyethylene facility in the Philippines. The study is divided into the following sections: (1) Executive Summary; (2) Technical Description; (3) Implementation Plan; (4) Feasibility Study; (5) Licensor Status; (6) Recommended Contract Principles; (7) Recommended Olefins Pricing Basis; (8) Clarifications/Discussion of Issues; (9) Appendix.

  10. Inspection Report: INS-O-00-01 | Department of Energy

    Energy Savers [EERE]

    1 Inspection Report: INS-O-00-01 November 30, 1999 Inspection of Selected issues of the Chem-Bio facility at the Oak Ridge National Laboratory The Department is seeking to increase its role in the development of new technologies to detect and counter attacks utilizing weapons of mass destruction. Such attacks include chemical and biological agents and nuclear devices. Currently, DOE is involved with this technology development for domestic counter-terrorism purposes, and is also working to

  11. Special Report: OAS-RA-13-10 | Department of Energy

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

    13-10 Special Report: OAS-RA-13-10 February 8, 2013 The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc The Department of Energy's Vehicle Technologies Program was established to develop and deploy efficient and environmentally friendly highway transportation technologies to reduce the Nation's dependence on foreign oil and provide greater energy security. The Vehicle Technologies Program received $2.4 billion under the American

  12. A Tale of 2 Missions (And Hopefully 2 Different Landings)

    SciTech Connect (OSTI)

    Wiens, Roger C.

    2012-07-19

    This talk, to be given at the LANL IGPP Annual Review dinner in Santa Fe, NM on July 17, 2012, highlights two important NASA missions LANL played a key role in: The Genesis mission was the first to return to Earth from beyond the Moon, bearing solar particles to help understand the composition of the Sun; and Curiosity, a 1-ton Mars rover launched to the red planet in 2011 with a suite of instruments from LANL called ChemCam.

  13. Research Highlight

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

    Radiative and Thermodynamic Responses to Uncertainty in Aerosol Extinction Profiles Download a printable PDF Submitter: Feng, Y., Argonne National Laboratory Area of Research: Aerosol Properties Working Group(s): Aerosol Life Cycle Journal Reference: Feng Y, R Kotamarthi, R Coulter, C Zhao, and M Cadeddu. 2016. "Radiative and Thermodynamic Responses to Aerosol Extinction Profiles during the Pre-monsoon Month over South Asia." Atmospheric Chemistry and Physics, 16(1), 247-264. WRF-Chem

  14. mark | The Ames Laboratory

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

    mark Ames Laboratory Profile Mark Gordon Associate Chemical & Biological Sciences 201 Spedding Phone Number: 515-294-0452 Email Address: mark@si.msg.chem.iastate.edu Ames Laboratory Associate and Distinguished Professor, Iowa State University Website(s): Mark Gordon's Quantum Theory Group Ames Laboratory Research Projects: Chemical Physics Theoretical/Computational Tools for Energy-Relevant Catalysis Education: Postdoctoral Associate, Iowa State University, 1967-1970 Ph.D. Carnegie-Mellon

  15. Desert scientists turn to rainforest for climate answers

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

    Desert scientists turn to rainforest for climate answers Desert scientists turn to rainforest for climate answers Work in Brazil's Amazon Basin should improve climate prediction. May 30, 2014 Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon, nitrogen, and oxygen, all of which are crucial for life. Heath-Powers: Los Alamos scientist Heath Powers, foreground, and on-site technician Vagner Castro work on field equipment for measuring carbon

  16. Biology Chemistry & Material Science Laboratory 1 | Sample Preparation

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

    Laboratories 1 Cynthia Patty | (650) 926-3925 Biology Chemistry & Material Science Laboratory 1 Inventory The BioChemMat Lab 1 at SSRL is dedicated to researcher experiments, including x-ray absorption and emission spectroscopies, macromolecular crystallography, x-ray scattering, and x-ray imaging. The labs are maintained for final-stage sample preparation and other relatively straight-forward laboratory manipulations. These include buffer preparations, solid sample grinding, solution

  17. Biology Chemistry & Material Science Laboratory 2 | Sample Preparation

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

    Laboratories 2 Cynthia Patty | (650) 926-3925 Biology Chemistry & Material Science Laboratory 2 Inventory The BioChemMat Lab 2 (BCM 2) at SSRL is dedicated to researcher experiments, including x-ray absorption and emission spectroscopies, macromolecular crystallography, x-ray scattering, and x-ray imaging. The labs are maintained for final-stage sample preparation and other relatively straight-forward laboratory manipulations. These include buffer preparations, solid sample grinding,

  18. Faces of Science: Rashi Iyer

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

    Rashi Iyer March 4, 2015 Rashi Iyer develops multiple new scientific focus areas keeping the environment, our non-human cohabitants and the national mission in perspective. Her efforts have been primarily dedicated to reducing the use of animals for research by developing the next generation of bioassessment platforms to understand and mitigate the toxic effects of radiation, chem-bio threats and engineered nanomaterials. Most recently, Iyer is working with the Defense Threat Reduction Agency to

  19. Argonne ARPA-E Battery Research

    ScienceCinema (OSTI)

    Amine, Khalil; Sinkula, Michael

    2013-04-19

    Argonne National Laboratory and Envia Systems annouced a licensing agreement for Argonne's patented electrode material technology. Envia plans to commercialize these materials for use in energy storage devices for the next generation of electric, plug-in and hybrid electric vehicles. General Motors Company, LG Chem, BASF and Toda Kyoga have also licensed this suite of Argonne's technologies. For more information visit us at http://www.anl.gov

  20. In the OSTI Collections: Department of Energy R&D for the Mars Science

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

    Laboratory | OSTI, US Dept of Energy, Office of Scientific and Technical Information In the OSTI Collections: Department of Energy R&D for the Mars Science Laboratory Some key technology for the Mars Science Laboratory "Curiosity" was developed by U. S. Department of Energy laboratories-especially the Multi-Mission Radioisotope Thermoelectric Generator ("MMRTG") that keeps Curiosity functioning on Mars, and the Chemistry Camera ("ChemCam") designed to

  1. Journal Cover Stories

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

    Darmon Chem Science 2015 cover page Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay March 5, 2015 | Author(s): Jonathan M. Darmon, Neeraj Kumar, Elliott B. Hulley, Charles J. Weiss, Simone Raugei, R. Morris Bullocka and Monte L. Helm* Center for Molecular Electrocatalysis, Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, K2-57, Richland, USA

  2. Confessions of a meteorite hunter

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

    Meteorite hunting Confessions of a meteorite hunter Picking meteorites up off of the Antarctic ice January 29, 2016 Lanza Lanza poses with a meteorite find. (Photo by Constantine Tsang.) The meteorites ANSMET finds may have fallen into the Antarctic snow thousands (if not millions) of years ago. Confessions of a meteorite hunter Nina Lanza knows space rocks. In her day job as a staff scientist at Los Alamos National Laboratory, she operates the Curiosity Rover's ChemCam, using a rock-vaporizing

  3. January

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

    January /newsroom/_assets/images/newsroom-icon.jpg January We are your source for reliable, up-to-date news and information; our scientists and engineers can provide technical insights on our innovations for a secure nation. The Mars Science Laboratory's Curiosity Rover recently took this photo of the Martian landscape looking toward Mount Sharp while on its way toward Yellowknife Bay-an area where researchers have found minerals indicating the past presence of water. (NASA Photo) ChemCam

  4. 15.01.16 RH Perovskite Solar Cells - JCAP

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

    Fabrication of High Efficiency Perovskite Solar Cells Li, Y., Cooper, J. K., Buonsanti, R., Giannini, G., Liu, Y., Toma, F. M. & Sharp, I. D. Fabrication of Planar Heterojunction Perovskite Solar Cells by Controlled Low-Pressure Vapor Annealing. J. Phys. Chem. Lett ., 6, 493-499, DOI: 10.1021/jz502720a (2015). Scientific Achievement A new synthetic method based on low-pressure and reduced-temperature vapor annealing was developed and demonstrated to yield efficient hybrid halide perovskites

  5. Curiosity rover finds evidence of Mars' primitive continental crust

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

    Curiosity rover finds evidence of Mars' primitive continental crust Curiosity rover finds evidence of Mars' primitive continental crust This is the first discovery of a potential "continental crust" on Mars. July 13, 2015 Igneous clast named Harrison embedded in a conglomerate rock in Gale crater, Mars, shows elongated light-toned feldspar crystals. The mosaic merges an image from Mastcam with higher-resolution images from ChemCam's Remote Micro-Imager. Credit:

  6. Influence of Solvent-Like Sidechains on the Adsorption of Light

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

    Hydrocarbons in Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Influence of Solvent-Like Sidechains on the Adsorption of Light Hydrocarbons in Metal-Organic Frameworks Previous Next List Schneemann, Andreas; Bloch, Eric D.; Henke, Sebastian; Llewellyn, Philip L.; Long, Jeffrey R.; and Fischer, Roland A. Influence of Solvent-Like Sidechains on the Adsorption of Light Hydrocarbons in Metal-Organic Frameworks. Chem. - Eur. J., 21,

  7. Investigating the Validity of the Knudsen Prescription for Diffusivities in

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

    a Mesoporous Covalent Organic Framework | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Validity of the Knudsen Prescription for Diffusivities in a Mesoporous Covalent Organic Framework Previous Next List Rajamani Krishna and Jasper M. van Baten, Ind. Eng. Chem. Res., 2011, 50 (11), pp 7083-7087 DOI: 10.1021/ie200277z Figure Abstract: Molecular dynamics (MD) simulations were performed to determine the self-diffusivity (Di,self) and the Maxwell-Stefan

  8. Kecheng Wang | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Kecheng Wang Previous Next List Wang PhD Student Department of Chemistry Texas A & M University Email: kecheng.wang[at]chem.tamu.edu Phone: 979-587-1982 BS in Chemistry, Nanjing University, China EFRC Research MOFs with high stability have been increasingly pursued for different applications due to sustainability requirements. However, researchers have had great difficulty synthesizing chemically ultra-stable, highly porous metal-organic frameworks (MOFs)

  9. Microporous magnets | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Microporous magnets Previous Next List Pierre Dechambenoit and Jeffrey R. Long, Chem. Soc. Rev., 2011,40, 3249-3265 DOI: 10.1039/C0CS00167H Graphical abstract: Microporous magnets Abstract: Combining porosity and magnetic ordering in a single material presents a significant challenge since magnetic exchange generally requires short bridges between the spin carriers, whereas porosity usually relies on the use of long diamagnetic connecting ligands. Despite this

  10. Minute-MOFs: Ultrafast Synthesis of M2(dobpdc) Metal-Organic Frameworks

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

    from Divalent Metal Oxide Colloidal Nanocrystals | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Minute-MOFs: Ultrafast Synthesis of M2(dobpdc) Metal-Organic Frameworks from Divalent Metal Oxide Colloidal Nanocrystals Previous Next List Maserati, Lorenzo; Meckler, Stephen M.; Li, Changyi; and Helms, Brett A. Minute-MOFs: Ultrafast Synthesis of M2(dobpdc) Metal-Organic Frameworks from Divalent Metal Oxide Colloidal Nanocrystals. Chem. Mater., ASAP (2016).

  11. Modeling Methane Adsorption in Interpenetrating Porous Polymer Networks |

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

    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Modeling Methane Adsorption in Interpenetrating Porous Polymer Networks Previous Next List Richard L. Martin, Mahdi Niknam Shahrak, Joseph A. Swisher, Cory M. Simon, Julian P. Sculley, Hong-Cai Zhou, Berend Smit, and Maciej Haranczyk, J. Phys. Chem. C 117, 20037-20042 (2013) DOI: 10.1021/jp406918d Abstract Image Abstract: Porous polymer networks (PPNs) are a class of porous materials of particular interest in a

  12. Molecular Dynamics Simulations of Gas Selectivity in Amorphous Porous

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

    Molecular Solids | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Dynamics Simulations of Gas Selectivity in Amorphous Porous Molecular Solids Previous Next List Shan Jiang, Kim E. Jelfs, Daniel Holden, Tom Hasell, Samantha Y. Chong, Maciej Haranczyk, Abbie Trewin, and Andrew I. Cooper, J. Am. Chem. Soc., 135, 17818-17830 (2013) DOI: 10.1021/ja407374k Abstract Image Abstract: Some organic cage molecules have structures with protected, internal pore volume

  13. Omar Yaghi | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Omar Yaghi Previous Next List Omar Yaghi Omar Yaghi Professor of Chemistry, University of California, Berkeley Email: yaghi [at] berkeley.edu Phone: 510-643-5507 EFRC research: Within the CGS, the Yaghi group is developing novel synthesis strategies for MOFs EFRC publications: Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; and Yaghi, Omar M. L-Aspartate Links for Stable Sodium Metal-Organic Frameworks. Chem. Comm., 51, 17463-17466 (2015).

  14. Piezofluorochromic Metal-Organic Framework: A Microscissor Lift | Center

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

    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Piezofluorochromic Metal-Organic Framework: A Microscissor Lift Previous Next List Zhang, Qiang; Su, Jie; Feng, Dawei; Wei, Zhangwen; Zou, Xiaodong; Zhou, Hong-Cai. Piezofluorochromic Metal-Organic Framework: A Microscissor Lift. J. Amer. Chem. Soc., 137, 10064-10067 (2015). DOI: 10.1021/jacs.5b04695 piezofluochromic Abstract: We have successfully constructed a metal-organic framework, denoted as PCN-128W, starting

  15. Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for

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

    Postcombustion Carbon Dioxide Capture | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture Previous Next List Jihan Kim, Li-Chiang Lin, Joseph A. Swisher, Maciej Haranczyk, and Berend Smit, J. Am. Chem. Soc., 2012, 134 (46), pp 18940-18943 DOI: 10.1021/ja309818u Abstract Image Abstract: Large-scale simulations of aluminosilicate zeolites were conducted to identify

  16. Carbon Dioxide Capture in Metal-Organic Frameworks | Center for Gas

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

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Carbon Dioxide Capture in Metal-Organic Frameworks Previous Next List Kenji Sumida , David L. Rogow , Jarad A. Mason , Thomas M. McDonald , Eric D. Bloch , Zoey R. Herm , Tae-Hyun Bae , and Jeffrey R. Long, Chem. Rev., 2012, 112 (2), pp 724-781 DOI: 10.1021/cr2003272 Journal Cover This article is part of the 2012 Metal-Organic Frameworks special issue

  17. Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of

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

    Nanoporous Materials | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials Previous Next List Kevin Theisen, Berend Smit and Maciej Haranczyk, J. Chem. Inf. Model., 2010, 50 (4), pp 461-469 DOI: 10.1021/ci900451v Abstract Image Abstract In general, most porous materials are so complex that structural information cannot be easily observed with 3D visualization tools.

  18. Dawei Feng | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Dawei Feng Previous Next List Feng PhD Student Department of Chemistry Texas A&M University Email: dawei.feng [at] chem.tamu.edu BS in Chemistry Peking University, China EFRC Research My research focuses on synthesizing highly stable metal-organic frameworks (MOFs). Due to the labile coordination bond in the frameworks, most reported MOFs suffer weak stability in relatively harsh chemical conditions, such as aqueous environments. Therefore, further

  19. Diffusion in porous crystalline materials | Center for Gas

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

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome porous crystalline materials Previous Next List Rajamani Krishna, Chem. Soc. Rev., 2012,41, 3099-3118 DOI: 10.1039/C2CS15284C Graphical abstract: Diffusion in porous crystalline materials Abstract: The design and development of many separation and catalytic process technologies require a proper quantitative description of diffusion of mixtures of guest molecules within porous crystalline materials. This tutorial review

  20. Dual Exchange in PCN-333: A Facile Strategy to Chemically Robust Mesoporous

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

    Chromium Metal-Organic Framework with Functional Groups | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Dual Exchange in PCN-333: A Facile Strategy to Chemically Robust Mesoporous Chromium Metal-Organic Framework with Functional Groups Previous Next List Park, Jihye; Feng, Dawei; Zhou, Hong-Cai. Dual Exchange in PCN-333: A Facile Strategy to Chemically Robust Mesoporous Chromium Metal-Organic Framework with Functional Groups. J. Amer. Chem. Soc., 137,

  1. Effect of reaction conditions on film morphology of polyaniline composite

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

    membranes for gas separation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Effect of reaction conditions on film morphology of polyaniline composite membranes for gas separation Previous Next List N. V. Blinova, J. Stejskal, J. M. J. Frechet, and F. Svec, J. Polym. Sci. Pol. Chem. 50 (15), 3077 (2012) DOI: 10.1002/pola.26093 Thumbnail image of graphical abstract Abstract: Novel composite membranes combining a 90-200 nm thick active layer of polyaniline

  2. Efficient Determination of Accurate Force Fields for Porous Material Using

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

    ab Initio Total Energy Calculations | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Efficient Determination of Accurate Force Fields for Porous Material Using ab Initio Total Energy Calculations Previous Next List Jihan Kim, Li-Chiang Lin, Kyuho Lee, Jeffrey B. Neaton, and Berend Smit, J. Phys. Chem. C , 118, 2693-2701 (2014) DOI: 10.1021/jp412368m Abstract Image Abstract: Accurate characterization of porous materials is essential for understanding

  3. Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials

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

    | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials Previous Next List J. Kim and B. Smit, J. Chem. Theory Comput. 8 (7), 2336 (2012) DOI: 10.1021/ct3003699 Abstract: Monte Carlo (MC) simulations are commonly used to obtain adsorption properties of gas molecules inside porous materials. In this work, we discuss various optimization strategies that lead to faster MC simulations with CO2

  4. Functionalized High Performance Polymer Membranes for Separation of Carbon

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

    Dioxide and Methane | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Functionalized High Performance Polymer Membranes for Separation of Carbon Dioxide and Methane Previous Next List Natalia Blinova and Frantisek Svec, J. Mater. Chem. A, 2, 600-604 (2014) DOI: 10.1039/C3TA14095D Abstract: A significant enhancement in separation performance of supported polyaniline and polypyrrole membranes after chemical modification via grafting and solvation with a

  5. Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore

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

    Connectivity Using Molecular Dynamics Simulations | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations Previous Next List Daniel Holden, Kim E. Jelfs, Abbie Trewin, David J. Willock , Maciej Haranczyk, and Andrew I. Cooper, J. Phys. Chem. C, 118, 12734-12743 (2014) DOI: 10.1021/jp500293s jp-2014-00293s_0010 Abstract: Molecular dynamics simulations were

  6. Probing Adsorption Interactions In Metal-Organic Framework Using X-ray

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

    Spectroscopy | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Probing Adsorption Interactions In Metal-Organic Framework Using X-ray Spectroscopy Previous Next List Walter S. Drisdell, Roberta Poloni, Thomas M. McDonald, Jeffrey R. Long, Berend Smit, Jeffrey B. Neaton, David Prendergast, Jeffrey B. Kortright, J. Am. Chem. Soc., 135, 18183-18190 (2013) DOI: 10.1021/ja408972f Abstract: We explore the local electronic signatures of molecular adsorption at

  7. Processable Cyclic Peptide Nanotubes with Tunable Interiors | Center for

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

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Processable Cyclic Peptide Nanotubes with Tunable Interiors Previous Next List Rami Hourani, Chen Zhang, Rob van der Weegen, Luis Ruiz, Changyi Li, Sinan Keten, Brett A. Helms, and Ting Xu, J. Am. Chem. Soc., 2011, 133 (39), pp 15296-15299 DOI: 10.1021/ja2063082 Abstract Image Abstract: A facile route to generate cyclic peptide nanotubes with tunable interiors is presented. By incorporating 3-amino-2-methylbenzoic acid in

  8. Protein Immobilization in Metal-Organic Frameworks by Covalent Binding |

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

    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Protein Immobilization in Metal-Organic Frameworks by Covalent Binding Previous Next List Xuan Wang, Trevor A. Makal and Hong-Cai Zhou, Aust. J. Chem. 67, 1629-1631 (2014) DOI: 10.1071/CH14104 CH14104_TOC Abstract: Metal-organic frameworks (MOFs), possessing a well defined system of pores, demonstrate extensive potential serving as a platform in biological catalysis. Successful immobilization of enzymes in a

  9. Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary

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

    Base-Resistance | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary Base-Resistance Previous Next List Wang, Kecheng; Lv, Xiu-Liang; Feng, Dawei; Li, Jian; Chen, Shuangming; Sun, Junliang; Song, Li; Xie, Yabo; Li, Jian-Rong; and Zhou, Hong-Cai. Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary Base-Resistance. J. Amer. Chem. Soc., 138, 914-919 (2016). DOI:

  10. Qiang Zhang | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Qiang Zhang Previous Next List ZhangQ Postdoctoral Research Associate Department of Chemistry Texas A&M University Email: qiang.zhang [at] chem.tamu.edu Phone: 803-553-2396 PhD in Inorganic Chemistry, University of South Carolina EFRC Research Metal-organic frameworks (MOFs) are a promising class of materials which contain metal clusters, known as secondary building units (SBUs), supported by organic struts. The high crystallinity, ultrahigh porosity and

  11. Reversible Switching from Antiferro- to Ferromagnetic Behavior by

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

    Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System Previous Next List Mario Wriedt, Andrey A. Yakovenko, Gregory J. Halder, Andrey V. Prosvirin, Kim R. Dunbar, and Hong-Cai Zhou, J. Am. Chem.

  12. Robust Metal-Organic Framework with An Octatopic Ligand for Gas

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

    Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Robust Metal-Organic Framework with An Octatopic Ligand for Gas Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation Previous Next List Wenjuan Zhuang, Daqiang Yuan, Dahuan Liu, Chongli Zhong, Jian-Rong Li, and Hong-Cai Zhou, Chem. Mater., 2012, 24 (1), pp 18-25 DOI:

  13. Sequential Linker Installation: Precise Placement of Functional Groups in

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

    Multivariate Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Sequential Linker Installation: Precise Placement of Functional Groups in Multivariate Metal-Organic Frameworks Previous Next List Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai, J. Am. Chem. Soc., 137, 3177-3180 (2015) DOI: 10.1021/ja512762r sequential linker installation Abstract: A unique

  14. Small Molecule Adsorption in Open-Site Metal-Organic Frameworks: A

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

    Systematic Density Functional Theory Study for Rational Design | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Small Molecule Adsorption in Open-Site Metal-Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design Previous Next List Kyuho Lee, Joshua D. Howe, Li-Chiang Lin, Berend Smit, and Jeffrey B. Neaton, Chem. Mater. 27, 668-678 (2015) DOI: 10.1021/cm502760q Abstract: Using density functional theory, we systematically

  15. Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic

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

    Frameworks with Ultralarge Pores | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic Frameworks with Ultralarge Pores Previous Next List Jihye Park , Dawei Feng , and Hong-Cai Zhou, J. Am. Chem. Soc. 137, 1663-1672 (2015) DOI: 10.1021/ja5123528 ja-2014-123528_0006 Abstract: A facile functionalization assisted by the structural attributes of PCN-333 has been studied while maintaining the

  16. Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic

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

    Imidazolate Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks Previous Next List Anh Phan, Christian J. Doonan, Fernando J. Uribe-Romo, Carolyn B. Knobler, Michael O'Keeffe and Omar M. Yaghi, Acc. Chem. Res., 2010, 43 (1), pp 58-67 DOI: 10.1021/ar900116g Abstract Zeolites are one of humanity's most important synthetic products. These

  17. Systematic Tuning and Multifunctionalization of Covalent Organic Polymers

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

    for Enhanced Carbon Capture | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture Previous Next List Xiang, Zhonghua; Mercado, Rocio; Huck, Johanna M.; Wang, Hui; Guo, Zhanhu; Wang, Wenchuan; Cao, Dapeng; Haranczyk, Maciej; and Smit, Berend. Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture. J. Amer. Chem.

  18. Tetraarylborate Polymer Networks as Single-Ion Conducting Solid

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

    Electrolytes 2 | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Tetraarylborate Polymer Networks as Single-Ion Conducting Solid Electrolytes 2 Previous Next List Van Humbeck, Jeffrey F.; Aubrey, Michael L.; Alsbaiee, Alaaeddin; Ameloot, Rob; Coates, Geoffrey W.; Dichtel, William R.; Long, Jeffrey R. Tetraarylborate Polymer Networks as Single-Ion Conducting Solid Electrolytes. Chem. Sci., 6, 4955-5505 (2015). DOI: 10.1039/c5sc02052b Tetraarylborate Abstract:

  19. Thermosensitive gating effect and selective gas adsorption in a porous

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

    coordination nanocage | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Thermosensitive gating effect and selective gas adsorption in a porous coordination nanocage Previous Next List Dan Zhao , Daqiang Yuan , Rajamani Krishna , Jasper M. van Baten and Hong-Cai Zhou, Chem. Commun., 2010,46, 7352-7354 DOI: 10.1039/C0CC02771E Graphical abstract: Thermosensitive gating effect and selective gas adsorption in a porous coordination nanocage Abstract: A porous

  20. Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by

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

    Ab Initio Property Maps | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome 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, Krishnan Damodaran, Erik Albenze, David R. Luebke, Hunaid B. Nulwala, Berend Smit, and Maciej Haranczyk, J. Phys. Chem. B, 118, 13609-13620 (2014) DOI: 10.1021/jp506972w jp-2014-06972w_0013 Abstract: The

  1. Water Adsorption in Porous Metal-Organic Frameworks and Related Materials

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

    | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Water Adsorption in Porous Metal-Organic Frameworks and Related Materials Previous Next List Hiroyasu Furukawa, Felipe Gándara, Yue-Biao Zhang, Juncong Jiang, Wendy L. Queen, Matthew R. Hudson, and Omar M. Yaghi, J. Am. Chem. Soc., 136, 4369-4381 (2014) DOI: 10.1021/ja500330a Abstract Image Abstract: Water adsorption in porous materials is important for many applications such as dehumidification, thermal

  2. May

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

    May /newsroom/_assets/images/newsroom-icon.jpg May We are your source for reliable, up-to-date news and information; our scientists and engineers can provide technical insights on our innovations for a secure nation. Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon, nitrogen, and oxygen, all of which are crucial for life. Desert scientists turn to rainforest for climate answers Work in Brazil's Amazon Basin should improve climate prediction. -

  3. ANSER Center Chemists Design a First-of-its-Kind Solar Cell Experiment for

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

    General Chemistry Students | ANSER Center | Argonne-Northwestern National Laboratory ANSER Center Chemists Design a First-of-its-Kind Solar Cell Experiment for General Chemistry Students Home > News & Events > ANSER Chemists Design First Solar Cell Lab for Gen Chem Students ANSER Center Chemists Design First Solar Cell Lab for General Chemistry Students by Monika Wnuk Northwestern scientists, Sameer Patwardhan and Duyen Cao, from the Argonne-Northwestern Solar Energy Research

  4. Addressing Challenges of Identifying Geometrically Diverse Sets of

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

    Crystalline Porous Materials | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials Previous Next List R. L. Martin, B. Smit, and M. Haranczyk, J. Chem Inf. Model. 52 (2), 308 (2012) DOI: 10.1021/ci200386x Abstract Image Abstract: Crystalline porous materials have a variety of uses, such as for catalysis and separations. Identifying suitable materials for a given

  5. Adsorption Thermodynamics and Intrinsic Activation Parameters for

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

    Monomolecular Cracking of n-Alkanes on Bronsted Acid Sites in Zeolites | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Bronsted Acid Sites in Zeolites Previous Next List Amber Janda, Bess Vlaisavljevich, Li-Chiang Lin, Shaama Mallikarjun Sharada, Berend Smit, Martin Head-Gordon, Alexis T. Bell, J. Phys. Chem. C, 119, 10427-10438 (2015) DOI:

  6. Argonne ARPA-E Battery Research

    SciTech Connect (OSTI)

    Amine, Khalil; Sinkula, Michael

    2011-01-01

    Argonne National Laboratory and Envia Systems annouced a licensing agreement for Argonne's patented electrode material technology. Envia plans to commercialize these materials for use in energy storage devices for the next generation of electric, plug-in and hybrid electric vehicles. General Motors Company, LG Chem, BASF and Toda Kyoga have also licensed this suite of Argonne's technologies. For more information visit us at http://www.anl.gov

  7. Real-time discriminatory sensors for water contamination events :LDRD 52595 final report.

    SciTech Connect (OSTI)

    Borek, Theodore Thaddeus III; Carrejo-Simpkins, Kimberly; Wheeler, David Roger; Adkins, Douglas Ray; Robinson, Alex Lockwood; Irwin, Adriane Nadine; Lewis, Patrick Raymond; Goodin, Andrew M.; Shelmidine, Gregory J.; Dirk, Shawn M.; Chambers, William Clayton; Mowry, Curtis Dale; Showalter, Steven Kedrick

    2005-10-01

    The gas-phase {mu}ChemLab{trademark} developed by Sandia can detect volatile organics and semi-volatiles organics via gas phase sampling . The goal of this three year Laboratory Directed Research and Development (LDRD) project was to adapt the components and concepts used by the {mu}ChemLab{trademark} system towards the analysis of water-borne chemicals of current concern. In essence, interfacing the gas-phase {mu}ChemLab{trademark} with water to bring the significant prior investment of Sandia and the advantages of microfabrication and portable analysis to a whole new world of important analytes. These include both chemical weapons agents and their hydrolysis products and disinfection by-products such as Trihalomethanes (THMs) and haloacetic acids (HAAs). THMs and HAAs are currently regulated by EPA due to health issues, yet water utilities do not have rapid on-site methods of detection that would allow them to adjust their processes quickly; protecting consumers, meeting water quality standards, and obeying regulations more easily and with greater confidence. This report documents the results, unique hardware and devices, and methods designed during the project toward the goal stated above. It also presents and discusses the portable field system to measure THMs developed in the course of this project.

  8. The Influence of Process Conditions on the Chemical Composition of Pine Wood Catalytic Pyrolysis Oils

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

    Pereira, J.; Agblevor, F. A.; Beis, S. H.

    2012-01-01

    Pine wood samples were used as model feedstock to study the properties of catalytic fast pyrolysis oils. The influence of two commercial zeolite catalysts (BASF and SudChem) and pretreatment of the pine wood with sodium hydroxide on pyrolysis products were investigated. The pyrolysis oils were first fractionated using column chromatography and characterized using GC-MS. Long chain aliphatic hydrocarbons, levoglucosan, aldehydes and ketones, guaiacols/syringols, and benzenediols were the major compounds identified in the pyrolysis oils. The catalytic pyrolysis increased the polycyclic hydrocarbons fraction. Significant decreases in phthalate derivatives using SudChem and long chain aliphatics using BASF catalyst were observed. Significant amountsmore » of aromatic heterocyclic hydrocarbons and benzene derivatives were formed, respectively, using BASF and SudChem catalysts. Guaiacyl/syringyl and benzenediols derivatives were partly suppressed by the zeolite catalysts, while the sodium hydroxide treatment enriched phenolic derivatives. Zeolite catalyst and sodium hydroxide were employed together; they showed different results for each catalyst.« less

  9. Probing iron at Super-Earth core conditions

    SciTech Connect (OSTI)

    Amadou, N.; Brambrink, E.; Vinci, T.; Benuzzi-Mounaix, A.; Huser, G.; Brygoo, S.; Morard, G.; Guyot, F.; Resseguier, T. de; Mazevet, S.; Miyanishi, K.; Ozaki, N.; Kodama, R.; Henry, O.; Raffestin, D.; Boehly, T.; and others

    2015-02-15

    In this paper, we report on the quasi-isentropic compression of an iron sample using ramp shaped laser irradiation. This technique allows us to quasi-isentropically compress iron up to 700 GPa and 8500 K. To our knowledge, these data are the highest pressures reached on iron in off-Hugoniot conditions and the closest to the thermodynamic states thought to exist in Earth-like planetary cores. The experiment was performed on the Ligne d'Intégration laser facility at CESTA, Bordeaux, France.

  10. Integrated Project Team RM

    Office of Environmental Management (EM)

    Integrated Project Team (IPT) Review Module March 2010 CD-0 This R O 0 Review Modul OFFICE OF Inte C CD-1 le was piloted F ENVIRO Standard R grated P Rev Critical Decis CD-2 M at the OR U 23 incorporated ONMENTAL Review Plan Project Te view Module sion (CD) Ap CD March 2010 33 Disposition in the Review L MANAGE n (SRP) eam (IPT e pplicability D-3 Project in 200 Module. EMENT T) CD-4 09. Lessons lea Post Ope arned have been eration n Standard Review Plan, 2 nd Edition, March 2010 i FOREWORD The

  11. CC CC

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

    CC Measurement of CC π π + + events events at MiniBooNE at MiniBooNE CC CC π π + + events in MiniBooNE events in MiniBooNE Comparisons to model predictions Comparisons to model predictions First look at neutrino content in First look at neutrino content in anti-neutrino mode using CC anti-neutrino mode using CC π π + + s s B.T.Fleming NuINT07 June 1, 2007 Why are CCπ + events so interestng? ● Rich channel with resonant and coherent interactions -- lots to learn! ● Largest background

  12. CCπ

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

    0 Event Reconstruction at MiniBooNE Robert Nelson University of Colorado, Boulder 2009.5.21 NuInt09 - single pion session Sitges, Barcelona ν μ γ γ p n CCπ 0 events ν + n → Δ + μ ↳ p + π 0 ↳ γ + γ There is no coherent mode for these events only resonant. Observed CCπ 0 events are any event where a π 0 exits the nucleus. These include charge exchanged CCπ + events. This does not include π 0 produced in the tank. The observed CCπ 0 measurement should be independent of nuclear

  13. Publications

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

    GCPCC's collaboration and publication policy Beamline acknowledgement Publication List Please contact us when you have a publication resulting from work done at the GCPCC PX beamline. Miller MD, Phillips GN Jr., White MA, Fox RO, Craft BC III The development of the GCPCC Protein Crystallography Beamline at CAMD. Application of Accelerators in Research and Industry -- Sixteenth Int'l Conf., J.L. Duggan and I.L. Morgan eds., 734-737 (2001). {PDF} Qiu C, Tarrant MK, Choi SH, Sathyamurthy A, Bose R,

  14. Recent Results on Meson Spectroscopy from BELLE And BaBar (Journal Article)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Journal Article: Recent Results on Meson Spectroscopy from BELLE And BaBar Citation Details In-Document Search Title: Recent Results on Meson Spectroscopy from BELLE And BaBar Authors: Uehara, Sadaharu ; /KEK, Tsukuba Publication Date: 2013-05-31 OSTI Identifier: 1081533 Report Number(s): SLAC-REPRINT-2013-079 DOE Contract Number: AC02-76SF00515 Resource Type: Journal Article Resource Relation: Journal Name: Int.J.Mod.Phys.A26:341-346,2011 Research Org: SLAC National

  15. Ehron Documents

    Energy Savers [EERE]

    Ehron Documents 1993 S-F-1325.12 CORRESPONDENCE CONTROL FORM (11-90) OFFICE OF THE EXECLTIVE SECRETARIAT ACTIVITY ADD DO NOT DETACH FROM ORIGINAL CORRESPONDENCE 01/19/93 10:17 SOURCE CODE pM PUBLIC MAIL SPEC INT: _ CONTROL N( S93-000578 DATE CORR: 01/13/93 DATERECD: 01/19/93 DATECNTRL: 01/19/93 -DATE DUE: LETTER: MEMO: TWX: _OTHER: MOTION TO:SECY: X DEPSEC: UN SEC: OTHER: ROM:FLOWERS,G PATRICK TX O REMARKS: ENRON CORP. UB J : LEGAL -=--_- LITIGATION FOR USE fY ACT N OFFICE ONLY MOTION FOR LEAVE

  16. Massachusetts Institute of Technology Elba XI Workshop, Elba, Italy, June 23, 10

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

    2010 Teppei Katori, MIT 1 Teppei Katori for the MiniBooNE collaboration Massachusetts Institute of Technology Elba XI Workshop, Elba, Italy, June 23, 10 First Measurement of Muon Neutrino Charged Current Quasielastic (CCQE) Double Differential Cross Section PRD81(2010)092005 First Measurement of Muon Neutrino Charged Current Quasielastic (CCQE) Double Differential Cross Section 06/30/2010 Teppei Katori, MIT 2 outline 0. NuInt09 summary 1. Booster neutrino beamline 2. MiniBooNE detector 3. CCQE

  17. C:\My Documents\FORMS\DOE F 4200.40.cdr

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

    PROCUREMENT ACTIONS DOE F 4200.40 (10-03) (All Other Editions Are Obsolete) U.S. DEPARTMENT OF ENERGY INDIVIDUAL PROCUREMENT ACTION REPORT (IPAR) See Handbook for the Preparation of the Individual Procurement Action Report Original - Contract File Goldenrod - ADP Entry Printed with soy ink on recycled paper 80. DATE 81. DOLLARS 82. MISC. 83. INT. OFF. USE 84. PR NUMBER 85. TEXT 86. TRANSFERRED TO OFFICE 18. EMG SM BUS 19. HUBZone BUS 20. VERY SM BUS 23. R & D 5. CONTRACTOR NAME 6. DIVISION

  18. Quantitative metrics for assessment of chemical image quality and spatial resolution

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

    Kertesz, Vilmos; Cahill, John F.; Van Berkel, Gary J.

    2016-02-28

    Rationale: Currently objective/quantitative descriptions of the quality and spatial resolution of mass spectrometry derived chemical images are not standardized. Development of these standardized metrics is required to objectively describe chemical imaging capabilities of existing and/or new mass spectrometry imaging technologies. Such metrics would allow unbiased judgment of intra-laboratory advancement and/or inter-laboratory comparison for these technologies if used together with standardized surfaces. Methods: We developed two image metrics, viz., chemical image contrast (ChemIC) based on signal-to-noise related statistical measures on chemical image pixels and corrected resolving power factor (cRPF) constructed from statistical analysis of mass-to-charge chronograms across features of interest inmorean image. These metrics, quantifying chemical image quality and spatial resolution, respectively, were used to evaluate chemical images of a model photoresist patterned surface collected using a laser ablation/liquid vortex capture mass spectrometry imaging system under different instrument operational parameters. Results: The calculated ChemIC and cRPF metrics determined in an unbiased fashion the relative ranking of chemical image quality obtained with the laser ablation/liquid vortex capture mass spectrometry imaging system. These rankings were used to show that both chemical image contrast and spatial resolution deteriorated with increasing surface scan speed, increased lane spacing and decreasing size of surface features. Conclusions: ChemIC and cRPF, respectively, were developed and successfully applied for the objective description of chemical image quality and spatial resolution of chemical images collected from model surfaces using a laser ablation/liquid vortex capture mass spectrometry imaging system.less

  19. More light on the 2?{sub 5} Raman overtone of SF{sub 6}: Can a weak anisotropic spectrum be due to a strong transition anisotropy?

    SciTech Connect (OSTI)

    Kremer, D.; Rachet, F.; Chrysos, M.

    2014-01-21

    Long known as a fully polarized band with a near vanishing depolarization ratio [?{sub s} = 0.05, W. Holzer and R. Ouillon, Chem. Phys. Lett. 24, 589 (1974)], the 2?{sub 5} Raman overtone of SF{sub 6} has so far been considered as of having a prohibitively weak anisotropic spectrum [D. P. Shelton and L. Ulivi, J. Chem. Phys. 89, 149 (1988)]. Here, we report the first anisotropic spectrum of this overtone, at room temperature and for 13 gas densities ranging between 2 and 27 amagat. This spectrum is 10 times broader and 50 times weaker than the isotropic counterpart of the overtone [D. Kremer, F. Rachet, and M. Chrysos, J. Chem. Phys. 138, 174308 (2013)] and its profile much more sensitive to pressure effects than the profile of the isotropic spectrum. From our measurements an accurate value for the anisotropy matrix-element |?000020|??|000000?| was derived and this value was found to be comparable to that of the mean-polarizability ((000020), ?{sup } (000000)). Among other conclusions our study offers compelling evidence that, in Raman spectroscopy, highly polarized bands or tiny depolarization ratios are not necessarily incompatible with large polarizability anisotropy transition matrix-elements. Our findings and the way to analyze them suggest that new strategies should be developed on the basis of the complementarity inherent in independent incoherent Raman experiments that run with two different incident-beam polarizations, and on concerted efforts to ab initio calculate accurate data for first and second polarizability derivatives. Values for these derivatives are still rarities in the literature of SF{sub 6}.

  20. Survival and distribution of Vibrio cholerae in a tropical rain forest stream

    SciTech Connect (OSTI)

    Perez-Rosas, N.; Hazen, T.C.

    1988-12-31

    For 12 months Vibrio cholerae and fecal coliforms were monitored along with 9 other water quality parameters at 12 sites in a rain forest watershed in Puerto Rico. Densities of V. cholerae and fecal coliforms were not significantly correlated even though the highest densities of both bacteria were found at a sewage outfall. High densities of V. cholerae were also found at pristine sites high in the watershed. V. cholerae and Escherichia coli were inoculated into membrane diffusion chambers, placed at two sites and monitored for 5 days on two different occasions. Two different direct count methods indicated that the density of E. coli and V. cholerae did not change significantly during the course of either study. Physiological activity, as measured by INT-reduction and relative nucleic acid composition declined for E. coli during the first 12 h then increased and remained variable during the remainder of the study. V. cholerae activity, as measured by relative nucleic acid concentrations, remained high and unchanged for the entire study. INT-reduction in V. cholerae declined initially but regained nearly all of it`s original activity within 48 h. This study suggests that V. cholerae is an indigenous organism in tropical freshwaters and that assays other than fecal coliforms or E. coli must be used for assessing public health risk in tropical waters.

  1. Comparing Galactic Center MSSM dark matter solutions to the Reticulum II gamma-ray data

    SciTech Connect (OSTI)

    Achterberg, Abraham; Beekveld, Melissa van; Beenakker, Wim; Caron, Sascha; Hendriks, Luc

    2015-12-04

    Observations with the Fermi Large Area Telescope (LAT) indicate a possible small photon signal originating from the dwarf galaxy Reticulum II that exceeds the expected background between 2 GeV and 10 GeV. We have investigated two specific scenarios for annihilating WIMP dark matter within the phenomenological Minimal Supersymmetric Standard Model (pMSSM) framework as a possible source for these photons. We find that the same parameter ranges in pMSSM as reported by an earlier paper to be consistent with the Galactic Center excess, are also consistent with the excess observed in Reticulum II, resulting in a J-factor of log{sub 10} (J(α{sub int}=0.5{sup ∘}))≃(20.3−20.5){sub −0.3}{sup +0.2} GeV{sup 2}cm{sup −5}. This J-factor is consistent with log{sub 10} (J(α{sub int}=0.5{sup ∘}))=19.6{sub −0.7}{sup +1.0} GeV{sup 2}cm{sup −5}, which was derived using an optimized spherical Jeans analysis of kinematic data obtained from the Michigan/Magellan Fiber System (M2FS)

  2. Supporting 64-bit global indices in Epetra and other Trilinos packages : techniques used and lessons learned.

    SciTech Connect (OSTI)

    Jhurani, Chetan; Austin, Travis M.; Heroux, Michael Allen; Willenbring, James Michael

    2013-06-01

    The Trilinos Project is an effort to facilitate the design, development, integration and ongoing support of mathematical software libraries within an object-oriented framework. It is intended for large-scale, complex multiphysics engineering and scientific applications [2, 4, 3]. Epetra is one of its basic packages. It provides serial and parallel linear algebra capabilities. Before Trilinos version 11.0, released in 2012, Epetra used the C++ int data-type for storing global and local indices for degrees of freedom (DOFs). Since int is typically 32-bit, this limited the largest problem size to be smaller than approximately two billion DOFs. This was true even if a distributed memory machine could handle larger problems. We have added optional support for C++ long long data-type, which is at least 64-bit wide, for global indices. To save memory, maintain the speed of memory-bound operations, and reduce further changes to the code, the local indices are still 32-bit. We document the changes required to achieve this feature and how the new functionality can be used. We also report on the lessons learned in modifying a mature and popular package from various perspectives - design goals, backward compatibility, engineering decisions, C++ language features, effects on existing users and other packages, and build integration.

  3. Microsoft PowerPoint - HAB1111-Dowellfinalnobu.pptx

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

    fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r ¾ Re du ce s th e Ac tiv e Sit e Fo ot pr int of Cl ea nu p to 75 Sq ua re Mi les (5 86 to 75 ) ¾ Sig ni fic an tly Re du ce s Lo ng -T erm Mo rtg ag e Co st s ¾ At Co m pl eti on , Sh ift s Em ph as is an d Re so ur ce s to Fu ll of th e Ce nt ra l Pla tea u (7 5 sq ua re m ile s) ¾ Re du ce s Co st s by "R i Mi ss io Ri ch la nd O pe ra tio ns Of fic e B & C Ar ea 9 Inte rim Saf e Sto rag e f 9 N

  4. Time-dependent wave-packet quantum scattering study of the reactions D{sup -}+H{sub 2}{yields}H{sup -}+HD and H{sup -}+D{sub 2}{yields}D{sup -}+HD

    SciTech Connect (OSTI)

    Yao Li [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Department of Physics, Dalian Maritime University, Dalian 116026 (China); Ju Liping; Han Keli [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Chu Tianshu [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Institute for Computational Sciences and Engineering, Qingdao University, Qingdao 266071 (China)

    2006-12-15

    The cross sections of the title reactions were calculated as functions of collision energy in the range 0.2-2.4 eV on a potential energy surface of Panda and Sathyamurthy [J. Chem. Phys. 121, 9343 (2004)]. The calculated results with the Coriolis coupled method were found to be more consistent with the experimental ones than the centrifugal sudden approximation, thus suggesting that Coriolis coupling plays an important role in those reactions. A pronounced isotopic effect was also revealed and attributed to the significant difference of the effective potential barrier height in both reactions.

  5. Broadband extreme ultraviolet probing of transient gratings in vanadium dioxide

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

    Sistrunk, Emily; Lawrence Livermore National Lab.; Grilj, Jakob; Ecole Polytechnique Federal de Lausanne; Jeong, Jaewoo; Samant, Mahesh G.; Gray, Alexander X.; Temple Univ. Philadelphia, PA; Drr, Hermann A.; Parkin, Stuart S. P.; et al

    2015-02-11

    Nonlinear spectroscopy in the extreme ultraviolet (EUV) and soft x-ray spectral range offers the opportunity for element selective probing of ultrafast dynamics using core-valence transitions (Mukamel et al., Acc. Chem. Res. 42, 553 (2009)). We demonstrate a step on this path showing core-valence sensitivity in transient grating spectroscopy with EUV probing. We study the optically induced insulator-to-metal transition (IMT) of a VO? film with EUV diffraction from the optically excited sample. The VO? exhibits a change in the 3p-3d resonance of V accompanied by an acoustic response. Due to the broadband probing we are able to separate the two features.

  6. State of Terengganu: A development plan for the petrochemical industry and its associated downstream industries. Final report

    SciTech Connect (OSTI)

    Not Available

    1987-01-08

    This study, conducted by Chem Systems, Inc., was funded by the U.S. Trade and Development Agency on behalf of Terengganu's State Economic Planning Unit. The main objectives of the report are to: (1) Identify and list all medium stream and downstream activities, including services in petrochemical industries, using natural gas-derived ethane, propane, and butane as main feedstock and other linkages; (2) List the various enterprises noted above that can be economically and viably established in Terengganu; (3) Identify and locate the various sites for the projects identified. This is volume 1 of 2 and it contains the Final Report.

  7. State of Terengganu: A development plan for the petrochemical industry and its associated downstream industries. Appendix. Export trade information

    SciTech Connect (OSTI)

    Not Available

    1987-02-01

    The study, conducted by Chem Systems, Inc., was funded by the U.S. Trade and Development Agency on behalf of Terengganu's State Economic Planning Unit. The main objectives of the report are to: (1) Identify and list all medium stream and downstream activities, including services in petrochemical industries, using natural gas-derived ethane, propane, and butane as main feedstock and other linkages; (2) List the various enterprises noted above that can be economically and viably established in Terengganu; (3) Identify and locate the various sites for the projects identified. This is volume 2 of 2 and it contains the Appendix.

  8. MINEs: Open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics

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

    Jeffryes, James G.; Colastani, Ricardo L.; Elbadawi-Sidhu, Mona; Kind, Tobias; Niehaus, Thomas D.; Broadbelt, Linda J.; Hanson, Andrew D.; Fiehn, Oliver; Tyo, Keith E. J.; Henry, Christopher S.

    2015-08-28

    Metabolomics have proven difficult to execute in an untargeted and generalizable manner. Liquid chromatography–mass spectrometry (LC–MS) has made it possible to gather data on thousands of cellular metabolites. However, matching metabolites to their spectral features continues to be a bottleneck, meaning that much of the collected information remains uninterpreted and that new metabolites are seldom discovered in untargeted studies. These challenges require new approaches that consider compounds beyond those available in curated biochemistry databases. Here we present Metabolic In silico Network Expansions (MINEs), an extension of known metabolite databases to include molecules that have not been observed, but are likelymore » to occur based on known metabolites and common biochemical reactions. We utilize an algorithm called the Biochemical Network Integrated Computational Explorer (BNICE) and expert-curated reaction rules based on the Enzyme Commission classification system to propose the novel chemical structures and reactions that comprise MINE databases. Starting from the Kyoto Encyclopedia of Genes and Genomes (KEGG) COMPOUND database, the MINE contains over 571,000 compounds, of which 93% are not present in the PubChem database. However, these MINE compounds have on average higher structural similarity to natural products than compounds from KEGG or PubChem. MINE databases were able to propose annotations for 98.6% of a set of 667 MassBank spectra, 14% more than KEGG alone and equivalent to PubChem while returning far fewer candidates per spectra than PubChem (46 vs. 1715 median candidates). Application of MINEs to LC–MS accurate mass data enabled the identity of an unknown peak to be confidently predicted. MINE databases are freely accessible for non-commercial use via user-friendly web-tools at http://minedatabase.mcs.anl.gov and developer-friendly APIs. MINEs improve metabolomics peak identification as compared to general chemical databases whose results include irrelevant synthetic compounds. MINEs complement and expand on previous in silico generated compound databases that focus on human metabolism. We are actively developing the database; future versions of this resource will incorporate transformation rules for spontaneous chemical reactions and more advanced filtering and prioritization of candidate structures.« less

  9. Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene

    SciTech Connect (OSTI)

    Gao, Xingfa; Jiang, Deen; Zhang, Prof. Shengbai; Chen, Zhongfang; Miller, Glen; Hodgson, Jennifer

    2011-01-01

    The electronic ground states of the recently synthesized stable nonacene derivatives (J. Am. Chem. Soc.2010, 132, 1261) are open-shell singlets with a polyradical nature instead of closed-shell singlets as originally assumed, according to the unrestricted broken spin-symmetry density functional theory (UBS-DFT) computations (at B3LYP/6-31G*). It is the bulky protecting groups, not the transfer from the open-shell singlet to closed-shell singlet ground state, that stabilizes these longest characterized acenes. Similar analyses also confirmed the open-shell singlet character of the hexacene and teranthene derivatives.

  10. The STEM Path to Antarctica

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

    STEM skills Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:Mar. 2016 all issues All Issues » submit The STEM Path to Antarctica Nina Lanza, a staff scientist at the Laboratory realizes her dream of being a space scientist and hunts for space rocks at the ends of the earth March 1, 2016 Nina Lanza, a staff scientist on the ChemCam instrument team for the Curiosity Mars Rover, spent two month on the frozen glaciers with the Antarctica

  11. 1

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

    Water for future Mars astronauts? September 26, 2013 Diversity of Martian soils leaves Los Alamos scientists thirsty for more LOS ALAMOS, N.M., Sept. 26, 2013-Within its first three months on Mars, NASA's Curiosity Rover saw a surprising diversity of soils and sediments along a half-kilometer route that tell a complex story about the gradual desiccation of the Red Planet. Perhaps most notable among findings from the ChemCam team is that all of the dust and fine soil contains small amounts of

  12. 1

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

    rover finds evidence of Mars' primitive continental crust July 13, 2015 LOS ALAMOS, N.M., July 13, 2015-The ChemCam laser instrument on NASA's Curiosity rover has turned its beam onto some unusually light-colored rocks on Mars, and the results are surprisingly similar to Earth's granitic continental crust rocks. This is the first discovery of a potential "continental crust" on Mars."Along the rover's path we have seen some beautiful rocks with large, bright crystals, quite

  13. A QUARTERLY RESEARCH & DEVELOPMENT JOURNAL

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

    SPRING * 1999 ALSO: Nontoxic foam neutralizes chem-bio attacks Nanosatellites take on bigger jobs A QUARTERLY RESEARCH & DEVELOPMENT JOURNAL VOLUME 1, NO. 2 MICROSYSTEMS: The next revolution S A N D I A T E C H N O L O G Y A microsystem is a collection of small, smart devices that can not only think, but also sense, act, and communicate. It may even know where it is and what is happening around it. [ [ The National Solar Thermal Test Facility (NSTTF) near Albuquerque, New Mexico is operated

  14. Publications | ANSER Center | Argonne-Northwestern National Laboratory

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

    Publications Home > Publications 2012 2011 2010 Jin, S.; Zhang, J.; Schaller, R.D.; Rajh, T.; Wiederrecht, G. P.; "Ultrafast Charge Separation from Highly Reductive ZnTe/CdSe Type II Quantum Dots." J. Phys. Chem. Lett., 2012, 3, 2052. 10.1021/jz3008886 Rybtchinski, B.; Wasielewski, M. R. "Artificial Photosynthesis for Solar Energy Conversion." in Fundamentals of Materials for Energy and Environmental Sustainability, Eds. Ginley, D. S., Cahen, D. 2012., Materials Research

  15. Modular Automated Processing System (MAPS) for analysis of biological samples.

    SciTech Connect (OSTI)

    Gil, Geun-Cheol; Chirica, Gabriela S.; Fruetel, Julia A.; VanderNoot, Victoria A.; Branda, Steven S.; Schoeniger, Joseph S.; Throckmorton, Daniel J.; Brennan, James S.; Renzi, Ronald F.

    2010-10-01

    We have developed a novel modular automated processing system (MAPS) that enables reliable, high-throughput analysis as well as sample-customized processing. This system is comprised of a set of independent modules that carry out individual sample processing functions: cell lysis, protein concentration (based on hydrophobic, ion-exchange and affinity interactions), interferent depletion, buffer exchange, and enzymatic digestion of proteins of interest. Taking advantage of its unique capacity for enclosed processing of intact bioparticulates (viruses, spores) and complex serum samples, we have used MAPS for analysis of BSL1 and BSL2 samples to identify specific protein markers through integration with the portable microChemLab{trademark} and MALDI.

  16. Research Highlight

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

    Comparison of Mixed-layer Heights from Airborne HSRL and WRF-Chem During CARES Download a printable PDF Submitter: Scarino, A. J., Science Systems and Applications, Inc. Area of Research: Aerosol Properties Working Group(s): Aerosol Life Cycle Journal Reference: Scarino AJ, MD Obland, JD Fast, SP Burton, RA Ferrare, CA Hostetler, LK Berg, B Lefer, C Haman, JW Hair, RR Rogers, C Butler, AL Cook, and DB Harper. 2014. "Comparison of mixed layer heights from airborne high spectral resolution

  17. Research Highlight

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

    The Two Faces of Aerosols Download a printable PDF Submitter: Ovink, J., Pacific Northwest National Laboratory Area of Research: Cloud Processes Working Group(s): Cloud Life Cycle Journal Reference: Berg LK, M Shrivastava, RC Easter, JD Fast, EG Chapman, Y Liu, and RA Ferrare. 2015. "A New WRF-Chem Treatment for Studying Regional Scale Impacts of Cloud Processes on Aerosol and Trace Gases in Parameterized Cumuli." Geoscientific Model Development, 8, doi:10.5194/gmd-8-409-2015. A new

  18. In operando X-ray studies of the conversion reaction in Mn3O4 lithium

    Office of Scientific and Technical Information (OSTI)

    battery anodes (Journal Article) | SciTech Connect operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes Citation Details In-Document Search Title: In operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes Authors: Lowe, Michael A. ; Gao, Jie ; Abruña, Héctor D. Publication Date: 2013-01-01 OSTI Identifier: 1080663 DOE Contract Number: SC0001086 Resource Type: Journal Article Resource Relation: Journal Name: J. Mater. Chem. A; Journal

  19. Key Parameters Governing the Energy Density of Rechargeable Li/S Batteries

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Key Parameters Governing the Energy Density of Rechargeable Li/S Batteries Citation Details In-Document Search Title: Key Parameters Governing the Energy Density of Rechargeable Li/S Batteries Authors: Gao, Jie ; Abruña, Héctor D. Publication Date: 2014-03-06 OSTI Identifier: 1161939 DOE Contract Number: SC0001086 Resource Type: Journal Article Resource Relation: Journal Name: J. Phys. Chem. Lett.; Journal Volume: 5(5); Related Information: Emc2 partners

  20. Temperature and length scale dependence of hydrophobic effects and their possible implications for protein folding

    SciTech Connect (OSTI)

    Huang, David M.; Chandler, David

    2000-04-01

    The Lum-Chandler-Weeks theory of hydrophobicity [J. Phys. Chem. 103, 4570 (1999)] is applied to treat the temperature dependence of hydrophobic solvation in water. The application illustrates how the temperature dependence for hydrophobic surfaces extending less than 1nm differs significantly from that for surfaces extending more than 1nm. The latter is the result of water depletion, a collective effect, that appears at length scales of 1nm and larger. Due to the contrasting behaviors at small and large length scales, hydrophobicity by itself can explain the variable behavior of protein folding.

  1. High-Yield Hybrid Cellulosic Ethanol Process Using High-Impact Feedstock

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

    a d e b y N a t u r e , R e f i n e d b y Z e a C h e m DOE Bioenergy Technologies Office (BETO) 2015 Project Peer Review High-Yield Hybrid Cellulosic Ethanol Process Using High- Impact Feedstock March 24, 2015 Demonstration and Market Transformation Program Tim Eggeman, Ph.D., P.E. ZeaChem Inc. This presentation does not contain any proprietary, confidential, or otherwise restricted information Goal Statement * Goals of IBR Project: - Mitigate risks so that a 1 st Commercial Plant can be

  2. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 1 of 1 Search for: All records Creators/Authors contains: "Bi, Yuqiang" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Next » Everything3 Electronic Full Text1 Citations2 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject chem (1) containing (1) desulfovibrio vulgaris, mackinawite oxidation (1) dissolution (1) environmental molecular sciences

  3. Top 10 Things You Didn't Know About Los Alamos National Laboratory |

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

    Department of Energy Los Alamos National Laboratory Top 10 Things You Didn't Know About Los Alamos National Laboratory December 13, 2013 - 1:36pm Addthis Los Alamos National Laboratory scientist Roger Wiens removes the laser safety plug on the ChemCam Mast Unit, selected for the Mars Science Laboratory rover, Curiosity. Wiens removes the plug (left), while scientist Bruce Barraclough sits at the command console (right). | Photo courtesy of LeRoy Sanchez, Los Alamos National Laboratory. Los

  4. INTRODUCTION TO SCINTILLATION LIGHT IN LIQUID ARGON Ben Jones, MIT

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

    TO SCINTILLATION LIGHT IN LIQUID ARGON Ben Jones, MIT The Basics: Light yield ~ few 10,000's of photons per MeV (dependences on E field, particle type and purity) Wavelength of emission is 128nm Light with two characteristic time constants: - fast component, 6 ns - slow component,1500 ns Argon is highly transparent to its own scintillation light. J Chem Phys vol 91 (1989) 1469 E Morikawa et al Mechanisms of Scintillation in LAr In liquid argon, there are two important scintillation mechanisms:

  5. Curiosity rover zaps Mars for life signs

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

    Curiosity rover zaps Mars for life signs Mars rover depends on three LANL technologies Curiosity zaps Mars for vital signs: Designed by Lab team, ChemCam looks for crucial elements such as carbon, nitrogen and oxygen. July 30, 2012 Curiosity rover zapping rocks on Mars Power up! The third part of the "LANL Visits Mars" trio is an essential component of the heat-producing Multi-Mission Radioisotope Thermoelectric Generator unit. It powers the rover and keeps the instruments from

  6. Xizhen Lian | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Xizhen Lian Previous Next List Lian PhD Student Department of Chemistry Texas A&M University Email: xizhen.lian [at] mail.chem.tamu.edu Phone: 979-587-4228 BS in Chemistry, Nankai University, China EFRC Research Metal-organic frameworks (MOFs) have been extensively studied over the past two decades due to their promising applications in storage, separation and conversion. Mesoporous MOF (mesoMOF) is an interesting type of MOF material with very large

  7. Ying-Pin Chen | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Ying-Pin Chen Previous Next List PhD Student Department of Chemistry Texas A&M University Email: ying-pin.chen [at] mail.chem.tamu.edu Phone: 979-739-5678 MS in Photonics and Display, National Chiao Tung University BS in Chemical Engineering, National Cheng Kung University EFRC Research Metal-organic frameworks (MOFs) are used in gas storage, separation, and selective catalysts due to their tailorable structures and properties. In the last several years,

  8. Zachary Perry | Center for Gas SeparationsRelevant to Clean Energy

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

    Technologies | Blandine Jerome Perry Previous Next List Perry PhD Student Department of Chemistry Texas A&M University Email: Zachary.Perry [at] mail.chem.tamu.edu Phone: 979-845-3216 BS in Chemistry, University of Tennessee at Chattanooga EFRC Research Metal-organic polyhedra (MOPs) are discrete cages that can be thought of as engineered pores. New systems are being designed through the expansion of the list of transition metals used and the application of the knowledge gained from the

  9. | Center for Bio-Inspired Solar Fuel Production

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

    Subtask 1 Subtask 2 Subtask 3 Subtask 4 Subtask 5 Published Research Highlights Submitted to DOE Click on a slide to enlarge Megiatto et al (2014) A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II, Nature Chemistry, Published online 9 Feb, 2014, doi: 10.1038/nchem.1862 Mukhopadhyay et al (2014) A highly active manganese precatalyst for the hydrosilylation of ketones and esters. J. Am. Chem. Soc., 136 (3), 882-885. Lu et al (2012) Charge Transport

  10. 2003 Publications Resulting from the Use of NERSC Resources

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

    3 2003 Publications Resulting from the Use of NERSC Resources On their Allocation Year 2004 ERCAP Request Forms Principal Investigators reported 936 refereed publications (published or submitted) for the preceding 12 months, based on using, at least in part, NERSC resources. A PI Musa Ahmed W. Chen, M. Hochlaf, P. Rosmus, G. Z. He et C.-Y. Ng. "Vacuum ultraviolet pulsed field ionization-photoelectron study of OCS in the energy range of 15-19 eV". J. Chem. Phys. 116, 5612 (2002). J.

  11. 2008 Publications | Stanford Synchrotron Radiation Lightsource

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

    8 Publications Journal Papers R. J. Abergel, M. C. Clifton, J. C. Pizarro, J. A. Warner, D. K. Shuh, R. K. Strong and K. N. Raymond, "The Siderocalin/Enterobactin Interaction: A Link between Mammalian Immunity and Bacterial Iron Transport", J. Am. Chem. Soc. 130, 11524 (2008) doi: 10.1021/ja803524w Y. Acremann, X. W. Yu, A. A. Tulapurkar, A. Scherz, V. Chembrolu, J. A. Katine, M. J. Carey, H. C. Siegmann and J. Stöhr, "An Amplifier Concept for Spintronics", Appl. Phys. Lett.

  12. 2010 Publications | Stanford Synchrotron Radiation Lightsource

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

    10 Publications Journal Papers J. B. Aitken, E. A. Carter, H. Eastgate, M. J. Hackett, H. H. Harris, A. Levina, Y.-C. Lee, C.-l. Chen, B. Lai, S. Vogt and P. A. Lay, "Biomedical Applications of X-ray Absorption and Vibrational Spectroscopic Microscopies in Obtaining Structural Information from Complex Systems", Radiat. Phys. Chem. 79, 176 (2010) doi: 10.1016/j.radphyschem.2009.03.068 F. Aksoy, G. Akgul, Y. Ufuktepe and D. Nordlund, "Thickness Dependence of the L2,3 Branching Ratio

  13. 2015 Publications | Argonne National Laboratory

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

    5 Publications A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z A Agarwal V., and Metiu H. I., "Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and Quartz Doped with Al, Sc, B, or Ga", J. Phys. Chem. C, 119, 16106-16114, (2015) (Link) Ahn P., Chen X., Zhang Z., Ford M. J., Rosenmann D., Jung I., Sun C., and Balogun O., "Dynamic Near-field Optical Interaction Between Oscillating Nanomechanical Structures",

  14. DNA origami: A quantum leap for self assembly of complex structures

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

    DNA origami: A quantum leap for self assembly of complex structures Authors: Tørring, T., Voigt, N.V., Nangreave, J., Yan, H., and Gothelf, K.V. Title: DNA origami: A quantum leap for self assembly of complex structures Source: Chem. Soc. Rev. Year: 2011 Volume: 40 Pages: 5636 - 5646 ABSTRACT: The spatially controlled positioning of functional materials by self-assembly is one of the fundamental visions of nanotechnology. Major steps towards this goal have been achieved using DNA as a

  15. Center for Nanophase Materials Sciences (CNMS) - Archived News

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

    NEWS "New material could lead to longer-lasting batteries," PC World (October 24, 2014) "Super stable garnet ceramics may be ideal for high-energy lithium batteries," ChemEurope (October 23, 2014) "Novel approach to magnetic measurements atom-by-atom," Uppsala University (October 1, 2014) "Pixel Engineered Electronics Have Growth Potential," Rice University (September 29, 2014) "Interface surprises may motivate novel oxide electronic devices,"

  16. Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type

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

    metal-organic framework (Fe-BTT) discovered via high-throughput methods | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal-organic framework (Fe-BTT) discovered via high-throughput methods Previous Next List Kenji Sumida, Satoshi Horike, Steven S. Kaye, Zoey R. Herm, Wendy L. Queen, Craig M. Brown, Fernande Grandjean, Gary J. Long, Anne Dailly and Jeffrey R. Long, Chem. Sci.,

  17. Interconversion between Discrete and a Chain of Nanocages: Self-Assembly

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

    via a Solvent-Driven, Dimension-Augmentation Strategy | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Interconversion between Discrete and a Chain of Nanocages: Self-Assembly via a Solvent-Driven, Dimension-Augmentation Strategy Previous Next List Tian-Fu Liu, Ying-Pin Chen, Andrey A. Yakovenko, and Hong-Cai Zhou, J. Am. Chem. Soc., 2012, 134 (42), pp 17358-17361 DOI: 10.1021/ja306150x Abstract Image Abstract: Using a ligand bearing a bulky hydrophobic

  18. Introduction of Functionalized Mesopores to Metal-Organic Frameworks via

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

    Metal-Ligand-Fragment Coassembly | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Introduction of Functionalized Mesopores to Metal-Organic Frameworks via Metal-Ligand-Fragment Coassembly Previous Next List Jinhee Park, Zhiyong U. Wang, Lin-Bing Sun, Ying-Pin Chen, and Hong-Cai Zhou, J. Am. Chem. Soc., 2012, 134 (49), pp 20110-20116 DOI: 10.1021/ja3085884 Abstract Image Abstract: Introduction of functionalized mesopores into microporous metal-organic

  19. Investigating the validity of the Bosanquet formula for estimation of

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

    diffusivities in mesopores | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Investigating the validity of the Bosanquet formula for estimation of diffusivities in mesopores Previous Next List Rajamani Krishna, Jasper M. van Baten, Chem. Eng. Sci., 69, 684-688 (2012) DOI: 10.1016/j.ces.2011.11.026 Full-size image (21 K) Abstract: Molecular Dynamics (MD) simulations were performed to determine the self-diffusivity, Di,self, of H2, CO2, Ar, Kr, CH4, C2H6,

  20. Investigators - Center for Solar and Thermal Energy Conversion

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

    Investigators Director Name Department Email Peter Green MSE/ChemE pfgreen@umich.edu Principal Investigators Name Department Email Akram Boukai MSE boukai@umich.edu Roy Clarke Physics royc@umich.edu Barry Dunietz Chemistry bdunietz@umich.edu Steve Forrest EECS/Phys/MSE stevefor@umich.edu Eitan Geva Chemistry eitan@umich.edu Rachel Goldman MSE/EECS/Phys rsgold@umich.edu Ted Goodson Chemistry tgoodson@umich.edu L (Jay) Guo EECS guo@umich.edu Massoud Kaviany ME kaviany@umich.edu John Kieffer MSE

  1. Isomerism in Metal-Organic Frameworks: "Framework Isomers" | Center

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    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Isomerism in Metal-Organic Frameworks: "Framework Isomers" Previous Next List Trevor A. Makal, Andrey A. Yakovenko, and Hong-Cai Zhou, J. Phys. Chem. Lett., 2011, 2 (14), pp 1682-1689 DOI: 10.1021/jz200424h Abstract Image Abstract: Metal-organic frameworks (MOFs) are very important in the development of new technologies and study of gas storage and separation. MOFs are based on the complexation of metal

  2. Jihye Park | Center for Gas SeparationsRelevant to Clean Energy

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    Technologies | Blandine Jerome Jihye Park Previous Next List ParkJ PhD Student Department of Chemistry Texas A & M University Email: jihye.park [at] chem.tamu.edu Phone: 979-422-9821 BS in Chemistry, Dankook University, Korea EFRC Research Metal-organic frameworks (MOFs) have been studied as advanced porous materials owing to their design flexibility of organic and inorganic building blocks, providing diverse functions as well as crystalline materials with pores. More recently, MOFs have

  3. L-Aspartate Links for Stable Sodium Metal-Organic Frameworks | Center for

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    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome L-Aspartate Links for Stable Sodium Metal-Organic Frameworks Previous Next List Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; and Yaghi, Omar M. L-Aspartate Links for Stable Sodium Metal-Organic Frameworks. Chem. Comm., 51, 17463-17466 (2015). DOI: 10.1039/c5cc07578e L-Aspartate Abstract: Metal-organic frameworks (MOFs) based purely on sodium are rare, typically due to large numbers of coordinating solvent

  4. Lanfang Zou | Center for Gas SeparationsRelevant to Clean Energy

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    Technologies | Blandine Jerome Lanfang Zou Previous Next List Zou PhD Student Department of Chemistry Texas A&M University Email: lanfang.zou [at] chem.tamu.edu Phone: 979-587-1986 PhD in Chemistry, Texas A&M University BS in Chemistry, Nanjing University, China EFRC Research In the past two decades, metal-organic frameworks (MOFs) and porous polymer networks (PPNs) have gained tremendous attention in scientific and technological research due to their ultrahigh porosity, enormous

  5. Large-scale Screening of Zeolite Structures for CO2 Membrane Separations |

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    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Large-scale Screening of Zeolite Structures for CO2 Membrane Separations Previous Next List J. Kim, M. Abouelnasr, L.-C. Lin, and B. Smit, J Am Chem Soc, 135, 7545-7552 (2013) DOI: 10.1021/ja400267g Abstract: We have conducted large-scale screening of zeolite materials for CO2/CH4 and CO2/N2 membrane separation applications using the free energy landscape of the guest molecules inside these porous materials. We

  6. Ligand-Assisted Enhancement of CO2 Capture in Metal-Organic Frameworks |

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    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Ligand-Assisted Enhancement of CO2 Capture in Metal-Organic Frameworks Previous Next List R. Poloni, B. Smit, and J. B. Neaton, J. Am. Chem. Soc. 134 (15), 6714 (2012) DOI: 10.1021/ja2118943 Abstract Image Abstract: Using density functional theory with a van der Waals-corrected functional, we elucidate how CO2 binds to a novel "BTT-type" metal-organic framework (MOF) featuring open metal centers. We

  7. Mail-Order Metal-Organic Frameworks (MOFs): Designing Isoreticular MOF-5

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    Analogues Comprising Commercially Available Organic Molecules | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Mail-Order Metal-Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules Previous Next List R. L. Martin, L.-C. Lin, K. Jariwala, B. Smit, and M. Haranczyk, J Phys Chem C, 117, 12159-12167 (2013) DOI: 10.1021/jp401920y jp-2013-01920y_0010 Abstract Metal-organic frameworks (MOFs), a class

  8. Metal Insertion in a Microporous Metal-Organic Framework Lined with 2,2

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    '-Bipyridine | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Metal Insertion in a Microporous Metal-Organic Framework Lined with 2,2 '-Bipyridine Previous Next List E. D. Bloch, D. Britt, C. Lee, C. J. Doonan, F. J. Uribe-Romo, H. Furukawa, J. R. Long, and O. M. Yaghi, J. Am. Chem. Soc. 132 (41), 14382 (2010) DOI: 10.1021/ja106935d Abstract: Reaction of AlCl3*6H2O with 2,2'-bipyridine-5,5'-dicarboxylic acid (H2bpydc) affords Al(OH)(bpydc) (1, MOF-253), the

  9. Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf Cubic

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    Clusters | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf Cubic Clusters Previous Next List Dawei Feng, Hai-Long Jiang, Ying-Pin Chen, Zhi-Yuan Gu, Zhangwen Wei, and Hong-Cai Zhou, Inorg. Chem. 52, 12661-12667 (2013) DOI: 10.1021/ic4018536 Abstract Image Abstract: The ongoing study of zirconium- and hafnium-porphyrinic metal-organic frameworks (MOFs) led to the discovery of isostructural MOFs based

  10. Metal-Organic Frameworks with Precisely Designed Interior for Carbon

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    Dioxide Capture in the Presence of Water | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome with Precisely Designed Interior for Carbon Dioxide Capture in the Presence of Water Previous Next List Alejandro M. Fracaroli, Hiroyasu Furukawa, Mitsuharu Suzuki, Matthew Dodd, Satoshi Okajima, Felipe Gándara, Jeffrey A. Reimer, and Omar M. Yaghi, J. Am. Chem. Soc., 136, 8863-8866 (2014) DOI: 10.1021/ja503296c master.img-012 Abstract: The selective capture of carbon

  11. Methane storage in advanced porous materials | Center for Gas

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    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Methane storage in advanced porous materials Previous Next List Trevor A. Makal, Jian-Rong Li, Weigang Lu and Hong-Cai Zhou, Chem. Soc. Rev., 2012,41, 7761-7779 DOI: 10.1039/C2CS35251F Abstract: The need for alternative fuels is greater now than ever before. With considerable sources available and low pollution factor, methane is a natural choice as petroleum replacement in cars and other mobile applications. However,

  12. Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste

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    Recycle or Not? | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not? Previous Next List Jihan Kim, Jocelyn M. Rodgers, Manuel Athènes, and Berend Smit, J. Chem. Theory Comput., 2011, 7 (10), pp 3208-3222 DOI: 10.1021/ct200474j Figure Abstract: In the waste recycling Monte Carlo (WRMC) algorithm, multiple trial states may be simultaneously generated and utilized during Monte Carlo

  13. Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4, and CH4/N2

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    by ZIFs | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4, and CH4/N2 by ZIFs Previous Next List Bei Liu and Berend Smit, J. Phys. Chem. C, 2010, 114 (18), pp 8515-8522 DOI: 10.1021/jp101531m Abstract Image Abstract In this work, molecular simulations were performed to evaluate the separation performance of two typical zeolitic imidazolate frameworks (ZIFs), ZIF-68 and ZIF-69, for CO2/N2, CO2/CH4,

  14. Noble Gas Adsorption in Metal-Organic Frameworks Containing Open Metal

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    Sites | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Noble Gas Adsorption in Metal-Organic Frameworks Containing Open Metal Sites Previous Next List John J. Perry , IV, Stephanie L. Teich-McGoldrick, Scott T. Meek, Jeffery A. Greathouse, Maciej Haranczyk, and Mark D. Allendorf, J. Phys. Chem. C, 118, 11685-11698 (2014) DOI: 10.1021/jp501495f jp-2014-01495f_0007 Abstract: The adsorption of noble gases (Ar, Kr, Xe, and Rn) and N2 by a diverse range of

  15. Papers Published - Center for Solar and Thermal Energy Conversion

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    Archival, Peer-Reviewed Journal Publications C. M. Andres, J. Zhu, T. Shyu, C. Flynn, N. A. Kotov, "Shape-Morphing Nanocomposite Origami," Langmuir 30, 5378-5385 (2014). B. X. Dong , B. Huang, A. Tan , and Peter F. Green, "Nanoscale Orientation Effects on Carrier Transport in a Low-Band-Gap Polymer," J. Phys. Chem. C 118, 17490-17498 (2014). Y. Jin, C. Shao, J. Kieffer, M. L. Falk, and M. Shtein, "Spatial nonuniformity in heat transport across hybrid material

  16. People | Center for Energy Efficient Materials

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    People Administration/Staff Name E-mail Address Telephone Title Allen, Jane jane [at] iee [dot] ucsb [dot] edu (805) 893-3488 Business Officer Auston, David auston [at] iee [dot] ucsb [dot] edu (805) 893-3376 Executive Director Bowers, John bowers [at] ece [dot] ucsb [dot] edu (805) 893-8447 Director Faculty/Researchers Name E-mail Address Telephone Group(s)* Bazan, Guillermo bazan [at] chem [dot] ucsb [dot] edu (805) 893-5538 OPV Bowers, John bowers [at] ece [dot] ucsb [dot] edu (805) 893-8447

  17. Pore Surface Engineering with Controlled Loadings of Functional Groups via

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    Click Chemistry in Highly Stable Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks Previous Next List Hai-Long Jiang , Dawei Feng , Tian-Fu Liu , Jian-Rong Li , and Hong-Cai Zhou, J. Am. Chem. Soc., 2012, 134 (36), pp 14690-14693 DOI: 10.1021/ja3063919 Abstract Image Abstract Reactions of ZrCl4 and

  18. Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas

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    Storage/Separation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation Previous Next List Weigang Lu, Daqiang Yuan, Dan Zhao, Christine Inge Schilling, Oliver Plietzsch, Thierry Muller, Stefan Bräse, Johannes Guenther, Janet Blümel, Rajamani Krishna, Zhen Li, and Hong-Cai Zhou, Chem. Mater., 2010, 22 (21), pp 5964-5972 DOI: 10.1021/cm1021068 Abstract Image Abstract:

  19. CEFRC Intranet (Members Only) - Combustion Energy Frontier Research

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    Center CEFRC Intranet (Members Only) CEFRC Intranet (Members Only) The CEFRC intranet is managed by Professor Donald G. Truhlar and Dr. Jingjing Zheng of the University of Minnesota. The URL is https://cefrc.chem.umn.edu/groups/cefrcwiki/ A few reminders: The intranet functions fine with Safari 4.0 or Firefox 3.5 but does not work with Firefox 2.0. The very first time you go to the intranet with either Firefox or Safari, it will alert you to the fact that it is an unrecognized site,and there

  20. CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from

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    Quantum Mechanical Calculations | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations Previous Next List Joshua Borycz, Li-Chiang Lin, EricD. Bloch, JihanKim, Allison L.Dzubak, Rémi Maurice, David Semrouni, Kyuho Lee, Berend Smit, and Laura Gagliardi,J. Phys. Chem. C, 118, 12230-12240 (2014) DOI: 10.1021/jp500313j jp-2014-00313j_0014 Abstract: Carbon dioxide

  1. CO2 Capture by Metal-Organic Frameworks with van der Waals Density

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    Functionals | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome CO2 Capture by Metal-Organic Frameworks with van der Waals Density Functionals Previous Next List R. Poloni, B. Smit, and J. B. Neaton, J. Phys. Chem. A 116 (20), 4957 (2012) DOI: 10.1021/jp302190v Abstract Image Abstract We use density functional theory calculations with van der Waals corrections to study the role of dispersive interactions on the structure and binding of CO2 within two distinct

  2. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites | Center

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    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Dynamics in a Metal-Organic Framework with Open Metal Sites Previous Next List Xueqian Kong, Eric Scott, Wen Ding, Jarad A. Mason, Jeffrey R. Long, and Jeffrey A. Reimer, J. Am. Chem. Soc., 2012, 134 (35), pp 14341-14344 DOI: 10.1021/ja306822p Abstract Image Abstract: Metal-organic frameworks (MOFs) with open metal sites are promising candidates for CO2 capture from dry flue gas. We applied in situ13C NMR

  3. CO2 Induced Phase Transitions in Diamine-Appended Metal-Organic Frameworks

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    | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome CO2 Induced Phase Transitions in Diamine-Appended Metal-Organic Frameworks Previous Next List Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre K.; Dzubak, Allison; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; and Smit, Berend. CO2 Induced Phase Transitions in Diamine-Appended Metal-Organic Frameworks. Chem. Sci., 6, 5177-5185 (2015). DOI: 10.1039/c5sc01828e CO2 induced phase

  4. Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended

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    Metal-Organic Framework mmen-Mg2(dobpdc) | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc) Previous Next List Thomas M. McDonald, Woo Ram Lee, Jarad A. Mason, Brian M. Wiers, Chang Seop Hong, and Jeffrey R. Long, J. Am. Chem. Soc., 2012, 134 (16), pp 7056-7065 DOI: 10.1021/ja300034j Abstract Image Abstract: Two new metal-organic frameworks,

  5. Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks

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    | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks Previous Next List Weigang Lu, Julian P. Sculley, Daqiang Yuan, Rajamani Krishna, and Hong-Cai Zhou, J. Phys. Chem. C, 2013, 117 (8), pp 4057-4061, DOI: 10.1021/jp311512q Abstract Image Abstract: Amine-grafted porous polymer networks were investigated for CO2 capture directly from air (400 ppm CO2, 78.96% N2, and 21% O2). Under these

  6. Carbon dioxide capture-related gas adsorption and separation in

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    metal-organic frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks Previous Next List Jian-Rong Li, Yuguang Ma, M. Colin McCarthy, Julian Sculley, Jiamei Yu, Hae-Kwon Jeong, Perla B. Balbuena, Hong-Cai Zhou, Coord. Chem. Rev., 255, 1791-1823 (2011) DOI: 10.1016/j.ccr.2011.02.012 Abstract: Reducing anthropogenic CO2 emission and lowering the concentration of

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

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

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Confinement of Metal-Organic Polyhedra in Silica Nanopores Previous Next List Lin-Bing Sun, Jian-Rong Li, Weigang Lu, Zhi-Yuan Gu, Zhiping Luo, and Hong-Cai Zhou, J. Am. Chem. Soc., 2012, 134 (38), pp 15923-15928 DOI: 10.1021/ja3063925 Abstract Image Abstract: Metal-organic polyhedra (MOPs) have been incorporated into silica nanopores for the first time. Three MOPs with identical geometries but different ligand

  8. Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through

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    Linker Elimination | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination Previous Next List Dawei Feng, Wan-Chun Chung, Zhangwen Wei, Zhi-Yuan Gu, Hai-Long Jiang, Ying-Pin Chen, Donald J. Darensbourg, and Hong-Cai Zhou, J. Am. Chem. Soc., 135, 17105-17110 (2013) DOI: 10.1021/ja408084j Abstract Image Abstract: A series of highly stable MOFs with 3-D nanochannels, namely

  9. Cooperative Template-Directed Assembly of Mesoporous Metal-Organic

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    Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Cooperative Template-Directed Assembly of Mesoporous Metal-Organic Frameworks Previous Next List Lin-Bing Sun, Jian-Rong Li, Jinhee Park, and Hong-Cai Zhou, J. Am. Chem. Soc., 2012, 134 (1), pp 126-129 DOI: 10.1021/ja209698f Abstract Image Abstract: Despite great efforts, the development of a reliable way to assemble mesoporous metal-organic frameworks (mesoMOFs) remains a challenge. In this work,

  10. Critical Factors Driving the High Volumetric Uptake of Methane in

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    Cu-3(btc)(2) | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Critical Factors Driving the High Volumetric Uptake of Methane in Cu-3(btc)(2) Previous Next List Hulvey, Zeric; Vlaisavljevich, Bess; Mason, Jarad A.; Tsivion, Ehud; Dougherty, Timothy P.; Bloch, Eric D.; Head-Gordon, Martin; Smit, Berend; Long, Jeffrey R.; Brown, Craig M. Critical Factors Driving the High Volumetric Uptake of Methane in Cu-3(btc)(2). J. Amer. Chem. Soc., 137, 10816-10825

  11. Crystalline Fibers of Metal-Peptide Double Ladders | Center for Gas

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    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Crystalline Fibers of Metal-Peptide Double Ladders Previous Next List Dani Peri, Jim Ciston, Felipe Gándara, Yingbo Zhao, and Omar M. Yaghi, Inorg. Chem. 52, 13818-13820 (2013) DOI: 10.1021/ic402435z Abstract Image Abstract: Despite remarkable progress in the field of MOFs, structures based on long-flexible organic linkers are scarce and the majority of such materials rely on rigid linkers. In this work, crystals of a new

  12. Design and Synthesis of Nucleobase-Incorporated Metal-Organic Materials |

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    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Design and Synthesis of Nucleobase-Incorporated Metal-Organic Materials Previous Next List Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen,Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai. Design and Synthesis of Nucleobase-Incorporated Metal-Organic Materials. Inorg. Chem. Front., 1, 159-162 (2015). DOI: 10.1039/c3qi00042g design&synthesis Abstract: Two nucleobase-incorporated

  13. Design and synthesis of nucleobase-incorporated metal-organic materials |

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    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Design and synthesis of nucleobase-incorporated metal-organic materials Previous Next List Muwei Zhang, Weigang Lu, Jian-Rong Li, Mathieu Bosch, Ying-Pin Chen, Tian-Fu Liu, Yangyang Liu and Hong-Cai Zhou, Inorg. Chem. Front., 1, 159-162 (2014) DOI: 10.1039/C3QI00042G GA Abstract: Two nucleobase-incorporated metal-organic materials were designed, synthesized and structurally characterized. PCN-530 is among the

  14. Direct Measurement of Adsorbed Gas Redistribution in Metal-Organic

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    Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Direct Measurement of Adsorbed Gas Redistribution in Metal-Organic Frameworks Previous Next List Ying-Pin Chen, Yangyang Liu, Dahuan Liu, Mathieu Bosch, and Hong-Cai Zhou, J. Am. Chem. Soc., 137, 2919-2930 (2015) DOI:10.1021/ja5103579 ja-2014-103579_0016 Abstract: Knowledge about the interactions between gas molecules and adsorption sites is essential to customize metal-organic frameworks (MOFs) as

  15. Enhanced carbon dioxide capture upon incorporation of

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    N,N'-dimethylethylenediamine in the metal-organic framework CuBTTri | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Enhanced carbon dioxide capture upon incorporation of N,N'-dimethylethylenediamine in the metal-organic framework CuBTTri Previous Next List Thomas M. McDonald, Deanna M. D'Alessandro, Rajamani Krishna and Jeffrey R. Long, Chem. Sci., 2011,2, 2022-2028 DOI: 10.1039/C1SC00354B Graphical abstract: Enhanced carbon dioxide capture upon

  16. Facile One-Pot Synthesis of Porphyrin Based Porous Polymer Networks (PPNs)

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    as Biomimetic Catalysts | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Facile One-Pot Synthesis of Porphyrin Based Porous Polymer Networks (PPNs) as Biomimetic Catalysts Previous Next List Lanfang Zou, Dawei Feng, Tian-Fu Liu, Ying-Pin Chen, Stephen Fordham, Shuai Yuan, Jian Tiana and Hong-Cai Zhou, Chem. Comm. 51, 4005-4008 (2015) DOI: 10.1039/C4CC09479D facile on-pot Abstract: Stable porphyrin based porous polymer networks, PPN-23 and PPN-24, have been

  17. Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy

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    Metal Ions and Size-Selective Catalysis | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy Metal Ions and Size-Selective Catalysis Previous Next List Qian-Rong Fang, Da-Qian Yuan, Julian Sculley, Jian-Rong Li, Zheng-Bo Han, and Hong-Cai Zhou, Inorg. Chem., 2010, 49 (24), pp 11637-11642 DOI: 10.1021/ic101935f Abstract Image Abstract: By using Zn4O(CO2)6 as secondary building units (SBUs)

  18. Gradual Release of Strongly Bound Nitric Oxide from Fe2(NO)2(dobdc) |

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    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Gradual Release of Strongly Bound Nitric Oxide from Fe2(NO)2(dobdc) Previous Next List Bloch, Eric D; Queen, Wendy L; Chavan, Sachin; Wheatley, Paul S.; Zadrozny, Joseph M.; Morris, Russell; Brown, Craig M; Lamberti, Carlo; Bordiga, Silvia; and Long, Jeffrey R, J. Am. Chem. Soc., 137, 3466-3469 (2015) DOI: 10.1021/ja5132243 gradual release Abstract: An iron(II)-based metal-organic framework featuring

  19. Hao Heather Li | Center for Gas SeparationsRelevant to Clean Energy

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    Technologies | Blandine Jerome Hao Heather Li Previous Next List Li PhD Student Department of Chemistry Texas A & M University Email: hao.li[at]chem.tamu.edu Phone: 979-587-1954 BSc in Chemistry, Wuhan University, China EFRC research: Amine modified metal-organic frameworks (MOFs) stand out as a promising porous material to capture CO2 for its strong CO2 affinity, low regeneration energy and large pore volume. We have tethered a series of alkylamines onto Cr-MIL-101-SO3H and tested their

  20. High Methane Storage Capacity in Aluminum Metal-Organic Frameworks |

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    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome High Methane Storage Capacity in Aluminum Metal-Organic Frameworks Previous Next List Felipe Gándara, Hiroyasu Furukawa, Seungkyu Lee, and Omar M. Yaghi, J. Am. Chem. Soc., 136, 5271-5274 (2014) DOI: 10.1021/ja501606h Abstract Image Abstract: The use of porous materials to store natural gas in vehicles requires large amounts of methane per unit of volume. Here we report the synthesis, crystal structure and