National Library of Energy BETA

Sample records for bg cn ch

  1. Intermolecular interactions involving C-H bonds, 3, Structure and energetics of the interaction between CH{sub 4} and CN{sup {minus}}

    SciTech Connect (OSTI)

    Novoa, J.J.; Whangbo, Myung-Hwan; Williams, J.M.

    1991-12-31

    On the basis of SCF and single reference MP2 calculations, the full potential energy surface of the interaction between CH{sub 4} and CN{sup {minus}} was studied using extended basis sets of up to near Hartree-Fock limit quality. Colinear arrangements C-N{sup {minus}}{hor_ellipsis}H-CH{sub 3} and N-C{sup {minus}}{hor_ellipsis}H-CH{sub 3} are found to be the only two energy minima. The binding energies of these two structures are calculated to be 2.5 and 2.1 kcal/mol, respectively, at the MP2 level. The full vibrational analyses of two structures show a red shift of about 30 cm{sup {minus}1} for the v{sub s} C-H stretching.

  2. BG Capital | Open Energy Information

    Open Energy Info (EERE)

    BG Capital Jump to: navigation, search Name: BG-Capital Place: Spain Zip: 8860 Product: BG-capital designs, installs and invests in PV medium scale (100-500kW) systems,...

  3. Solar BG | Open Energy Information

    Open Energy Info (EERE)

    BG - 1784 Sector: Wind energy Product: Bulgarian based company investing into hybrid wind-PV plants. References: Solar BG1 This article is a stub. You can help OpenEI by...

  4. CH

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

    Toluene is readily identified on the HOPG basal surface after the nonresonant sum frequency generation (SFG) signal is readily suppressed using time-delay methods enabled by femtosecond laser pulses. The signature CH 3 vibrational modes of toluene are resolved as exemplified by the black trace above. The molecular orientation of toluene from the surface normal is easily determined at the HOPG surface by employing the Polarization Null Angle Technique to triangulate position of the C3v symmetric

  5. The initial vibrational level distribution and relaxation of HCN[{tilde {ital X}}{sup 1}{Sigma}{sup +}({ital v}{sub 1},0,{ital v}{sub 3})] in the CN({ital X}{sup 2}{Sigma}{sup +})+CH{sub 4}{r_arrow}HCN+CH{sub 3} reaction system

    SciTech Connect (OSTI)

    Bethardy, G.A.; Northrup, F.J.; Macdonald, R.G.

    1996-09-01

    The reaction of the cyano radical (CN) with methane was studied by time-resolved infrared absorption spectroscopy by monitoring individual rovibrational states of the HCN and CH{sub 3} products. The initial vibrational level distribution of the bendless vibrational levels of HCN({ital v}{sub 1},0,{ital v}{sub 3}) was determined by plotting the time dependence of the fractional population of a vibrational level and extrapolating these curves to the origin of time. About 20{percent} of the HCN products were observed to be initially produced in the HCN({ital v}{sub 1},0,{ital v}{sub 3}) vibrational levels, with {ital v}{sub 1} and {ital v}{sub 3}=0,1,2. The CN radical was created by laser photolysis of three different precursors. Each photolyte provided a different initial vibrational level distribution of CN; however, similar initial HCN({ital v}{sub 1},0,{ital v}{sub 3}) vibrational level distributions were obtained independent of the CN radical precursor. This may indicate that the CN radical does not act as a spectator bond during the course of a reactive encounter for this system. The time dependence of the CH{sub 3} (000{sup 0}0) ground state was also followed using time-resolved infrared absorption spectroscopy. Preliminary data indicates that a large fraction, if not all, the CH{sub 3} radicals are produced in their ground state in the title reaction. {copyright} {ital 1996 American Institute of Physics.}

  6. Biomass Gas Electric LLC BG E | Open Energy Information

    Open Energy Info (EERE)

    Gas Electric LLC BG E Jump to: navigation, search Name: Biomass Gas & Electric LLC (BG&E) Place: Norcross, Georgia Zip: 30092 Sector: Biomass Product: Project developer...

  7. BG/Q Performance Counters | Argonne Leadership Computing Facility

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

    Performance Tools & APIs Tuning MPI on BG/Q Tuning and Analysis Utilities (TAU) HPCToolkit HPCTW mpiP gprof Profiling Tools Darshan PAPI BG/Q Performance Counters BGPM Openspeedshop Scalasca BG/Q DGEMM Performance Automatic Performance Collection (AutoPerf) Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] BG/Q Performance Counters The

  8. SF6432-CN Construction

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

    ... prior to any attempts to enter a government site as shown ... SF 6432-CN Title: Standard Terms and Conditions for ... premises are subject to search. (e) Contractor will ...

  9. BG/Q Drivers Status | Argonne Leadership Computing Facility

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

    Blue Gene/Q Versus Blue Gene/P BG/Q Drivers Status Machine Overview Machine Partitions Torus Network Data Storage & File Systems Compiling & Linking Queueing & Running Jobs Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] BG/Q Drivers Status The status of

  10. BG/Q File Systems | Argonne Leadership Computing Facility

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

    BG/Q File Systems Disk Quota Using HPSS Compiling & Linking Queueing & Running Jobs Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] BG/Q File Systems Vesta and Mira have discrete file systems, with two main user file systems for each machine: home and

  11. CnLrJGD

    Office of Legacy Management (LM)

    l&o-1760 CnLrJGD 8CURCEN4%4UALLfCE8SE Licenee Bo. c-3862 tnted: J. T. Baker Chemical Compfuq Phillipsburg, New Jersey Attention: Mr. Joseph L. MetcenQrf Osntlewn: Rvsunnt to the...

  12. SF6432-CN

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

    Department Release Date: 11/17/15 Page 1 of 28 Printed copies of this document are uncontrolled. Retrieve latest version electronically. SANDIA CORPORATION SF 6432-CN (11/2015) Section II STANDARD TERMS AND CONDITIONS FOR FIRM-FIXED PRICE COMMERCIAL CONSTRUCTION CONTRACTS 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 COVER PAGE OR SECTION I. (CTRL+CLICK ON A LINK BELOW

  13. SF6432-CN

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

    CN (04/2015) Section II STANDARD TERMS AND CONDITIONS FOR FIRM-FIXED PRICE COMMERCIAL CONSTRUCTION CONTRACTS 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 COVER PAGE OR SECTION I. (CTRL+CLICK ON A LINK BELOW TO ADVANCE DIRECTLY TO THAT SECTION) ACCEPTANCE OF TERMS AND CONDITIONS (Ts&Cs) APPLICABLE LAW ASSIGNMENT AUTHORIZED DISTRIBUTORS BANKRUPTCY CANCELLATION OR

  14. SF6432-CN Construction

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

    7/31/13 Page 1 of 31 Printed copies of this document are uncontrolled. Retrieve latest version electronically. SANDIA CORPORATION SF 6432-CN (07/2013) Section II STANDARD TERMS AND CONDITIONS FOR FIRM-FIXED PRICE COMMERCIAL CONSTRUCTION CONTRACTS 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 COVER PAGE OR SECTION I. (CTRL+CLICK ON A LINK BELOW TO ADVANCE DIRECTLY TO

  15. CN Solar Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    CN Solar Co Ltd Jump to: navigation, search Name: CN Solar Co Ltd Place: Sangju, North Gyeongsang, Korea (Republic) Sector: Solar Product: Korean solar project developer....

  16. Tuning MPI on BG/Q | Argonne Leadership Computing Facility

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

    MPI on BG/Q MPI Standard The MPI standard is a formal specification document that is backed by the MPI Forum, but no official standardization body (e.g. ISO or ANSI). Fortunately, it has wide vendor support in HPC and is available on all common platforms. Please see this page for all of the MPI standardization documents, including MPI-2.2 and MPI 3.0. Blue Gene/Q currently provides support for the MPI-2.2 standard except for a few features that are incompatible with the underlying operating

  17. Cn

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

    ... The s. shell effect in 270 Hs is necessarily related to a local arrier maximum, hence its ... supernova neutron star merger velocity entropy mass number mass fraction r-process solar ...

  18. Example Program and Makefile for BG/Q | Argonne Leadership Computing

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

    Facility Overview of How to Compile and Link Example Program and Makefile for BG/Q How to Manage Threading bgclang Compiler Compiling and Linking FAQ Queueing & Running Jobs Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Example Program and Makefile for BG/Q

  19. Torus Network on a BG/Q System | Argonne Leadership Computing Facility

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

    Blue Gene/Q Versus Blue Gene/P BG/Q Drivers Status Machine Overview Machine Partitions Torus Network Data Storage & File Systems Compiling & Linking Queueing & Running Jobs Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Torus Network on a BG/Q System Torus

  20. Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics

    SciTech Connect (OSTI)

    Trevitt, Adam J.; Goulay, Fabien; Taatjes, Craig A.; Osborn, David L.; Leone, Stephen R.

    2009-12-23

    Low temperature rate coefficients are measured for the CN + benzene and CN + toluene reactions using the pulsed Laval nozzle expansion technique coupled with laser-induced fluorescence detection. The CN + benzene reaction rate coefficient at 105, 165 and 295 K is found to be relatively constant over this temperature range, 3.9 - 4.9 x 10-10 cm3 molecule-1 s-1. These rapid kinetics, along with the observed negligible temperature dependence, are consistent with a barrierless reaction entrance channel and reaction efficiencies approaching unity. The CN + toluene reaction is measured to have a slower rate coefficient of 1.3 x 10-10 cm3 molecule-1 s-1 at 105 K. At room temperature, non-exponential decay profiles are observed for this reaction that may suggest significant back-dissociation of intermediate complexes. In separate experiments, the products of these reactions are probed at room temperature using synchrotron VUV photoionization mass spectrometry. For CN + benzene, cyanobenzene (C6H5CN) is the only product recorded with no detectable evidence for a C6H5 + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC6H4CH3) constitutes the only detected product. It is not possible to differentiate among the ortho, meta and para isomers of cyanotoluene because of their similar ionization energies and the ~;; 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C6H5CH2) that would suggest a H-abstraction or a HCN elimination channel is prominent at these conditions. As both reactions are measured to be rapid at 105 K, appearing to have barrierless entrance channels, it follows that they will proceed efficiently at the temperatures of Saturn?s moon Titan (~;;100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

  1. Characterization of BG28 and KG3 filter glass for Drive Diagnostic Attenuators

    SciTech Connect (OSTI)

    Page, R H; Weiland, T; Folta, J

    2007-11-30

    BG28 and KG3 filter glasses were tested for use as attenuators in the NIF drive diagnostic (DrD) systems. Tests were performed in the Optical Sciences Laser facility with a 351 nm, 2-step, 3-nsec pulse at fluences ranging up to {approx} 1 J/cm{sup 2}. Single-shot measurements showed no solarization when the samples were allowed to relax for a week after exposure. KG3 filters exhibited no luminescence and no transient pulse distortion. BG28 filters luminesced appreciably and imposed a 'droop' (similar to 'square-pulse distortion') on the signals. The droop parameter is estimated at 0.50 {+-} 0.11 cm{sup 2}/J. Droop is explained in terms of known copper-doped-glass spectroscopy and kinetics (buildup of triplet-state populations, with excited-state absorption). Simulation of the distortion ({approx}1.6%) expected on a 1.8 MJ Haan pulse led to a minor redesign of the Drive Diagnostic with reduced fluence on the BG28 filters to reduce the droop distortion to 0.5%.

  2. Queuing and Running on BG/Q Systems FAQ | Argonne Leadership Computing

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

    Facility Queuing and Running on BG/Q Systems FAQ Contents Is there a limit on stack size? My job had empty stdout, and the stderr looks like it died immediately after it started. What happened? Where can I find the details of a job submission? Back to top Is there a limit on stack size? There is no strict limit on the stack size. The stack and heap grow towards each other until a collision occurs. If your job terminates with an error like this: ***FAULT Encountered unhandled signal

  3. Job Scheduling Policy for BG/Q Systems | Argonne Leadership Computing

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

    Facility Policy for BG/Q Systems Contents Mira Job Scheduling Mira Queues User Interface Backfill Queue INCITE/ALCC Overburn Policy Big Run Monday Cetus Job Scheduling Vesta Job Scheduling General Scheduling Guidelines System Maintenance Day Jobs on Hold Reservations Back to top Mira Job Scheduling queue layout Back to top Mira Queues User Queue Queue Nodes Wall-clock Time (hours) Maximum Running per User Maximum Queued Per User prod prod-short 512 - 4096 0 - ≤6 5 20 prod-long 512 - 4096

  4. SF6432-CN (02-02-12) Construction

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

    the SCR shall determine the extent that contract Control : SF 6432-CN Title: Standard Terms and Conditions for Firm-Fixed Price Commercial Construction Contracts Owner:...

  5. CH Packaging Operations Manual

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-06-26

    Introduction - This procedure provides instructions for assembling the following CH packaging payload: -Drum payload assembly -Standard Waste Box (SWB) assembly -Ten-Drum Overpack (TDOP).

  6. Spectroscopic characterization of rovibrational temperatures in atmospheric pressure He/CH{sub 4} plasmas

    SciTech Connect (OSTI)

    Moon, Se Youn; Kim, D. B.; Gweon, B.; Choe, W.

    2008-10-15

    Atmospheric pressure of helium (He) and methane (CH{sub 4}) mixture discharge characteristics are investigated using emission spectroscopic methods. Plasmas are produced in a radio frequency capacitively coupled device at atmospheric pressure in the ambient air. Without the CH{sub 4} gas introduced in the plasma, the emission spectrum exhibits typical helium discharge characteristics showing helium atomic lines with nitrogen molecular bands and oxygen atomic lines resulting from air impurities. Addition of a small amount (<1%) of CH{sub 4} to the supplied He results in the emission of CN (B{sup 2}{sigma}{sup +}-X{sup 2}{sigma}{sup +}: violet system) and CH (A{sup 2}{delta}-X{sup 2} product : 430 nm system) molecular bands. Analyzing the CN and CH diatomic molecular emission spectra, the vibrational temperature (T{sub vib}) and rotational temperature (T{sub rot}) are simultaneously obtained. As input power levels are raised from 20 W to 200 W, T{sub vib} and T{sub rot} are increased from 4230 K to 6310 K and from 340 K to 500 K, respectively. On the contrary, increasing the CH{sub 4} amount brings about the decrease of both temperatures because CH{sub 4} is harder to ionize than He. The emission intensities of CN and CH radicals, which are important in plasma processing, are also changed along with the temperature variation. From the results, the atmospheric pressure plasma shows strong nonequilibrium discharge properties, which may be effectively utilized for thermal damage free material treatments.

  7. FBP-ER-RIFS-BG-PLN-0036 Rev. 6 1 DOE/PPPO/03-0383&D4

    Energy Savers [EERE]

    BG-PLN-0036 Rev. 6 1 DOE/PPPO/03-0383&D4 Aerial photo of the Portsmouth Gaseous Diffusion Plant, showing the approximate 1,000-acre industrialized area within Perimeter Road PUBLIC COMMENT PERIOD NOVEMBER 12, 2014 TO JANUARY 10, 2015 HOW YOU CAN PARTICIPATE Read this Proposed Plan and review related documents in the Administrative Record. Comment on this Proposed Plan by mail, email, phone, or fax to: Ms. Kristi Wiehle Department of Energy P.O. Box 370 Piketon, Ohio 45661 Email:

  8. CH Packaging Operations Manual

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-06-13

    This procedure provides instructions for assembling the CH Packaging Drum payload assembly, Standard Waste Box (SWB) assembly, Abnormal Operations and ICV and OCV Preshipment Leakage Rate Tests on the packaging seals, using a nondestructive Helium (He) Leak Test.

  9. SF6432-CN (02-02-12) Construction

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

    Fixed Price Commercial Construction Contracts Owner: Procurement Policy & Quality Dept Release Date: 02/01/12 Page 1 of 27 Printed copies of this document are uncontrolled. Retrieve latest version electronically. SANDIA CORPORATION SF 6432-CN (02/01/12) Section II STANDARD TERMS AND CONDITIONS FOR FIRM-FIXED PRICE COMMERCIAL CONSTRUCTION CONTRACTS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED

  10. NOPR CH2M | Department of Energy

    Energy Savers [EERE]

    CH2M NOPR CH2M PDF icon NOPR CH2M More Documents & Publications NOPR NEI NEI Statement DOE Workshop 02 20 FINAL NOPR Fluor

  11. Compositional depth profiling of TaCN thin films

    SciTech Connect (OSTI)

    Adelmann, Christoph; Conard, Thierry; Franquet, Alexis; Brijs, Bert; Munnik, Frans; Burgess, Simon; Witters, Thomas; Meersschaut, Johan; Kittl, Jorge A.; Vandervorst, Wilfried; Van Elshocht, Sven

    2012-07-15

    The composition profiling of thin TaCN films was studied. For the composition profile determination using x-ray photoemission spectrometry (XPS) in combination with Ar sputtering, preferential sputtering effects of N with respect to Ta and C were found to lead to inaccurate elemental concentrations. Sputter yield calculations for the given experimental conditions allowed for the correction of a part of the error, leading to fair accuracy by reference-free measurements. Further improvement of the accuracy was demonstrated by the calibration of the XPS compositions against elastic recoil detection analysis (ERDA) results. For Auger electron spectrometry (AES) in combination with Ar sputtering, accurate results required the calibration against ERDA. Both XPS and AES allowed for a reliable and accurate determination of the compositional profiles of TaCN-based thin films after calibration. Time-of-flight secondary-ion mass spectrometry was also used to assess the composition of the TaCN films. However, the analysis was hampered by large matrix effects due to small unintentional oxygen contents in the films. Energy-dispersive x-ray spectrometry is also discussed, and it is shown that an accurate reference-free measurement of the average film concentration can be achieved.

  12. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2004-10-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  13. CH-TRU Waste Content Codes (CH TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2004-12-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  14. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-12-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  15. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-06-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  16. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  17. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-01-18

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  18. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-02-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  19. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-06-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  20. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  1. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-09-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  2. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-05-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  3. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-03-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  4. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  5. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-01-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codesand corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  6. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-12-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  7. CH-TRU Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-10-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  8. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-06-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  9. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-01-30

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  10. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-09-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  11. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-11-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  12. IAEA-CN-94/EX/C4-6

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

    IAEA-CN-94/EX/C4-6 1 Core Fluctuations and Current Profile Dynamics in the MST Reversed-Field Pinch D.L. Brower 1), W.X. Ding 1), J. Lei 2), J.K. Anderson 3), T.M. Biewer 3), B.E. Chapman 3), K.A. Connor 2), D. Craig 3), D.R. Demers 2), C.B. Forest 3), D. Holly 3), R. O'Connell 3), S.C. Prager 3), J.S. Sarff 3), P.M. Schoch 2), S.D. Terry 1), J.C. Wright 3) 1) Electrical Engineering Department, University of California at Los Angeles, Los Angeles, California USA 2) Electrical, Computer and

  13. CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures...

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

    CH4, CH4H2 and CO2CH4H2 separations at high pressures using Mg2(dobdc) Previous Next List Zoey R. Herm, Rajamani Krishna, Jeffrey R. Long, Microporous Mesoporous Mater., 151,...

  14. Photodissociation and photoisomerization dynamics of CH{sub 2}=CHCHO in solution

    SciTech Connect (OSTI)

    Wu Weiqiang; Yang Chunfan; Zhao Hongmei; Liu Kunhui; Su Hongmei

    2010-03-28

    By means of time-resolved Fourier transform infrared absorption spectroscopy, we have investigated the 193 nm photodissociation and photoisomerization dynamics of the prototype molecule of {alpha},{beta}-enones, acrolein (CH{sub 2}=CHCHO) in CH{sub 3}CN solution. The primary photolysis channels and absolute branching ratios are determined. The most probable reaction mechanisms are clarified by control experiments monitoring the product yields varied with the triplet quencher addition. The predominant channel is the 1,3-H migration yielding the rearrangement product CH{sub 3}CH=C=O with a branching ratio of 0.78 and the less important channel is the {alpha} cleavage of C-H bond yielding radical fragments CH{sub 2}=CHCO+H with a branching ratio of only 0.12. The 1,3-H migration is strongly suggested to correlate with the triplet {sup 3}({pi}{pi}{sup *}) state rather than the ground S{sub 0} state and the {alpha} cleavage of C-H bond is more likely to proceed in the singlet S{sub 1} {sup 1}(n{pi}{sup *}) state. From the solution experiments we have not only acquired clues clarifying the previous controversial mechanisms, but also explored different photochemistry in solution. Compared to the gas phase photolysis which is dominated by photodissociation channels, the most important channel in solution is the photoisomerization of 1,3-H migration. The reason leading to the different photochemistry in solution is further ascribed to the solvent cage effect.

  15. CN ANOMALIES IN THE HALO SYSTEM AND THE ORIGIN OF GLOBULAR CLUSTERS IN THE MILKY WAY

    SciTech Connect (OSTI)

    Carollo, Daniela; Martell, Sarah L.; Beers, Timothy C.; Freeman, Ken C. E-mail: smartell@aao.gov.au E-mail: kcf@mso.anu.edu.au

    2013-06-01

    We explore the kinematics and orbital properties of a sample of red giants in the halo system of the Milky Way that are thought to have formed in globular clusters based on their anomalously strong UV/blue CN bands. The orbital parameters of the CN-strong halo stars are compared to those of the inner- and outer-halo populations as described by Carollo et al., and to the orbital parameters of globular clusters with well-studied Galactic orbits. The CN-strong field stars and the globular clusters both exhibit kinematics and orbital properties similar to the inner-halo population, indicating that stripped or destroyed globular clusters could be a significant source of inner-halo field stars, and suggesting that both the CN-strong stars and the majority of globular clusters are primarily associated with this population.

  16. CH-TRUCON Rev. 21, January 2008

    Office of Environmental Management (EM)

    DOE/WIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 This document supercedes DOE/WIPP 01-3194, Revision 20 CH-TRUCON, Rev. 21, January 2008 DOE/WIPP 01-3194 2 DOE/WIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 Approved by: [Signature on File] Date:____________ D. Casey Gadbury, National TRU Program Director CH-TRUCON, Rev. 21, January 2008 DOE/WIPP 01-3194 3 This document has been submitted as required to: Office of

  17. ARM - Datastreams - aeri01ch1

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

    ch1 Documentation Data Quality Plots Citation DOI: 10.5439/1025138 [ What is this? ] Generate Citation ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Datastream : AERI01CH1 Atmospheric Emitted Radiance Interferometer (AERI) 01: ch. 1 data Active Dates 1995.07.22 - 2014.03.12 Measurement Categories Radiometric Originating Instrument Atmospheric Emitted Radiance Interferometer (AERI) Measurements Only measurements

  18. ARM - Datastreams - aeri01ch2

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

    ch2 Documentation Data Quality Plots Citation DOI: 10.5439/1025139 [ What is this? ] Generate Citation ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Datastream : AERI01CH2 Atmospheric Emitted Radiance Interferometer (AERI) 01: ch. 2 data Active Dates 1995.07.22 - 2014.03.12 Measurement Categories Radiometric Originating Instrument Atmospheric Emitted Radiance Interferometer (AERI) Measurements Only measurements

  19. CH Packaging Operations for High Wattage Waste

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-01-06

    This document provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP)

  20. Dynamics of CN+alkane reactions by crossed-beam dc slice imaging

    SciTech Connect (OSTI)

    Huang Cunshun; Li Wen; Estillore, Armando D.; Suits, Arthur G.

    2008-08-21

    The hydrogen atom abstraction reactions of CN (X {sup 2}{sigma}{sup +}) with alkanes have been studied using the crossed molecular beam technique with dc slice ion imaging at collision energies of 7.5 and 10.8 kcal/mol. The product alkyl radical images were obtained via single photon ionization at 157 nm for the reactions of CN (X {sup 2}{sigma}{sup +}) with n-butane, n-pentane, n-hexane, and cyclohexane. From analysis of the images, we obtained the center-of-mass frame product angular distributions and translational energy distributions directly. The results indicate that the products are largely backscattered and that most of the available energy ({approx}80%-85%) goes to the internal energy of the products. The reaction dynamics is discussed in light of recent kinetics data, theoretical calculations, and results for related halogen and oxygen atom reactions.

  1. CH-TRU Waste Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2008-01-16

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  2. ch26attachment.pdf | Department of Energy

    Energy Savers [EERE]

    ch26attachment.pdf ch26attachment.pdf PDF icon ch26attachment.pdf More Documents & Publications FAL2003-03Attachment.pdf Sources for Office Supplies AL2000-10Attach.pdf

  3. Central Characterization Program (CCP) Contact-Handled (CH) TRU...

    Office of Environmental Management (EM)

    Contact-Handled (CH) TRU Waste Certification and Waste Information SystemWaste Data System (WWISWDS) Data Entry Central Characterization Program (CCP) Contact-Handled (CH) TRU...

  4. Independent Oversight Review, Hanford Site CH2M Hill Plateau...

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

    CH2M Hill Plateau Remediation Company - November 2012 Independent Oversight Review, Hanford Site CH2M Hill Plateau Remediation Company - November 2012 November 2012 Review of the...

  5. Newport News in Review, ch. 47, segment includes TEDF groundbreaking...

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

    https:www.jlab.orgnewsarticlesnewport-news-review-ch-47-segment-includes-tedf-groundbreaking-event Newport News in Review, ch. 47, segment includes TEDF groundbreaking event...

  6. DETECTION OF FeCN (X {sup 4}{Delta}{sub i} ) IN IRC+10216: A NEW INTERSTELLAR MOLECULE

    SciTech Connect (OSTI)

    Zack, L. N.; Halfen, D. T.; Ziurys, L. M.

    2011-06-01

    A new interstellar molecule, FeCN (X {sup 4}{Delta}{sub i} ), has been detected in the envelope of the carbon-rich asymptotic giant branch star, IRC+10216. This work is the first definitive detection of an iron-bearing molecule in the interstellar medium and is based on newly measured rest frequencies. Eight successive rotational transitions of this linear free radical in the lowest spin ladder, {Omega} = 7/2, were observed at 2 and 3 mm using the Arizona Radio Observatory (ARO) 12 m telescope. Three transitions appear as single, unblended features at the 1-2 mK level and exhibit characteristic IRC+10216 line profiles; one had previously been observed with the IRAM 30 m telescope. Two other transitions are partially blended, but exhibit distinct emission at the FeCN frequencies. The remaining transitions are either completely contaminated, or are too high in energy. Comparison of the ARO and IRAM data suggests a source size for FeCN of {approx}30'' in IRC+10216, indicating an outer shell distribution, as expected for a free radical. The column density derived for FeCN is N{sub tot} = 8.6 x 10{sup 11} cm{sup -2} with a rotational temperature of T{sub rot} = 21 K. The fractional abundance of this molecule is [FeCN]/[H{sub 2}] {approx} 2-7 x 10{sup -10}-comparable to that of MgCN and KCN in IRC+10216. FeCN is likely formed by gas-phase reactions of Fe{sup +} or neutral iron; the latter has a significant gas-phase abundance in the outer shell. The detection of FeCN is further evidence that metal cyanides/isocyanides dominate the chemistry of refractory elements in IRC+10216.

  7. ARM - Datastreams - avhrr11ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  8. ARM - Datastreams - fullavhrr16ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  9. ARM - Datastreams - avhrr16ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  10. ARM - Datastreams - fullavhrr12ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  11. ARM - Datastreams - fullavhrr15ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  12. ARM - Datastreams - avhrr17ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  13. ARM - Datastreams - fullavhrr16ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  14. ARM - Datastreams - avhrr10ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  15. ARM - Datastreams - avhrr17ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  16. ARM - Datastreams - avhrr14ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  17. ARM - Datastreams - fullavhrr12ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  18. ARM - Datastreams - fullavhrr10ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  19. ARM - Datastreams - avhrr16ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  20. ARM - Datastreams - avhrr14ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  1. ARM - Datastreams - fullavhrr10ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  2. ARM - Datastreams - avhrr15ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  3. ARM - Datastreams - fullavhrr11ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  4. ARM - Datastreams - fullavhrr11ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  5. ARM - Datastreams - fullavhrr15ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  6. ARM - Datastreams - avhrr15ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  7. ARM - Datastreams - avhrr12ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  8. ARM - Datastreams - avhrr12ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  9. ARM - Datastreams - fullavhrr14ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  10. ARM - Datastreams - fullavhrr17ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  11. ARM - Datastreams - fullavhrr14ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  12. ARM - Datastreams - avhrr10ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  13. ARM - Datastreams - fullavhrr17ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  14. ARM - Datastreams - avhrr11ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  15. Anticancer effect of genistein on BG-1 ovarian cancer growth induced by 17 ?-estradiol or bisphenol A via the suppression of the crosstalk between estrogen receptor alpha and insulin-like growth factor-1 receptor signaling pathways

    SciTech Connect (OSTI)

    Hwang, Kyung-A; Park, Min-Ah; Kang, Nam-Hee; Yi, Bo-Rim; Hyun, Sang-Hwan; Jeung, Eui-Bae; Choi, Kyung-Chul

    2013-11-01

    The interaction between estrogen receptor (ER) and insulin-like growth factor-1 receptor (IGF-1R) signaling pathway plays an important role in proliferation of and resistance to endocrine therapy to estrogen dependent cancers. Estrogen (E2) upregulates the expression of components of IGF-1 system and induces the downstream of mitogenic signaling cascades via phosphorylation of insulin receptor substrate-1 (IRS-1). In the present study, we evaluated the xenoestrogenic effect of bisphenol A (BPA) and antiproliferative activity of genistein (GEN) in accordance with the influence on this crosstalk. BPA was determined to affect this crosstalk by upregulating mRNA expressions of ER? and IGF-1R and inducing phosphorylation of IRS-1 and Akt in protein level in BG-1 ovarian cancer cells as E2 did. In the mouse model xenografted with BG-1 cells, BPA significantly increased a tumor burden of mice and expressions of ER?, pIRS-1, and cyclin D1 in tumor mass compared to vehicle, indicating that BPA induces ovarian cancer growth by promoting the crosstalk between ER and IGF-1R signals. On the other hand, GEN effectively reversed estrogenicity of BPA by reversing mRNA and protein expressions of ER?, IGF-1R, pIRS-1, and pAkt induced by BPA in cellular model and also significantly decreased tumor growth and in vivo expressions of ER?, pIRS-1, and pAkt in xenografted mouse model. Also, GEN was confirmed to have an antiproliferative effect by inducing apoptotic signaling cascades. Taken together, these results suggest that GEN effectively reversed the increased proliferation of BG-1 ovarian cancer by suppressing the crosstalk between ER? and IGF-1R signaling pathways upregulated by BPA or E2.

  16. CH2M HILL Plateau Remediation Company - Hanford Site

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

    Contracting CH2M HILL Plateau Remediation Company Contracting ORP Contracts and Procurements RL Contracts and Procurements CH2M HILL Plateau Remediation Company Mission Support Alliance Washington Closure Hanford HPM Corporation (HPMC) Wastren Advantage, Inc. Bechtel National, Inc. Washington River Protection Solutions CH2M HILL Plateau Remediation Company Email Email Page | Print Print Page |Text Increase Font Size Decrease Font Size CH2M CH2M HILL Plateau Remediation Company is the prime

  17. Effect of antisymmetric CH stretching excitation on the dynamics of O({sup 1}D) + CH{sub 4} ? OH + CH{sub 3}

    SciTech Connect (OSTI)

    Pan, Huilin; Yang, Jiayue; Zhang, Dong; Shuai, Quan; Jiang, Bo [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China)] [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Dai, Dongxu; Wu, Guorong, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn; Yang, Xueming, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China) [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2014-04-21

    The effect of antisymmetric CH stretching excitation of CH{sub 4} on the dynamics and reactivity of the O({sup 1}D) + CH{sub 4} ? OH + CD{sub 3} reaction at the collision energy of 6.10 kcal/mol has been investigated using the crossed-beam and time-sliced velocity map imaging techniques. The antisymmetric CH stretching mode excited CH{sub 4} molecule was prepared by direct infrared excitation. From the measured images of the CH{sub 3} products with the infrared laser on and off, the product translational energy and angular distributions were derived for both the ground and vibrationally excited reactions. Experimental results show that the vibrational energy of the antisymmetric stretching excited CH{sub 4} reagent is channeled exclusively into the vibrational energy of the OH co-products and, hence, the OH products from the excited-state reaction are about one vibrational quantum hotter than those from the ground-state reaction, and the product angular distributions are barely affected by the vibrational excitation of the CH{sub 4} reagent. The reactivity was found to be suppressed by the antisymmetric stretching excitation of CH{sub 4} for all observed CH{sub 3} vibrational states. The degree of suppression is different for different CH{sub 3} vibrational states: the suppression is about 40%60% for the ground state and the umbrella mode excited CH{sub 3} products, while for the CH{sub 3} products with one quantum symmetric stretching mode excitation, the suppression is much less pronounced. In consequence, the vibrational state distribution of the CH{sub 3} product from the excited-state reaction is considerably different from that of the ground-state reaction.

  18. Concurrent Collections (CnC): A new approach to parallel programming

    ScienceCinema (OSTI)

    None

    2011-10-06

    A common approach in designing parallel languages is to provide some high level handles to manipulate the use of the parallel platform. This exposes some aspects of the target platform, for example, shared vs. distributed memory. It may expose some but not all types of parallelism, for example, data parallelism but not task parallelism. This approach must find a balance between the desire to provide a simple view for the domain expert and provide sufficient power for tuning. This is hard for any given architecture and harder if the language is to apply to a range of architectures. Either simplicity or power is lost. Instead of viewing the language design problem as one of providing the programmer with high level handles, we view the problem as one of designing an interface. On one side of this interface is the programmer (domain expert) who knows the application but needs no knowledge of any aspects of the platform. On the other side of the interface is the performance expert (programmer or program) who demands maximal flexibility for optimizing the mapping to a wide range of target platforms (parallel / serial, shared / distributed, homogeneous / heterogeneous, etc.) but needs no knowledge of the domain. Concurrent Collections (CnC) is based on this separation of concerns. The talk will present CnC and its benefits. About the speaker Kathleen Knobe has focused throughout her career on parallelism especially compiler technology, runtime system design and language design. She worked at Compass (aka Massachusetts Computer Associates) from 1980 to 1991 designing compilers for a wide range of parallel platforms for Thinking Machines, MasPar, Alliant, Numerix, and several government projects. In 1991 she decided to finish her education. After graduating from MIT in 1997, she joined Digital Equipment?s Cambridge Research Lab (CRL). She stayed through the DEC/Compaq/HP mergers and when CRL was acquired and absorbed by Intel. She currently works in the Software and Services Group / Technology Pathfinding and Innovation.

  19. Enforcement Letter, CH2M Hill- October 4, 2004

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill related to at a Lapse in Dosimetry Accreditation at the Separations Process Research Unit

  20. 2011 Annual Planning Summary for Chicago Operations Office (CH) |

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

    Department of Energy Chicago Operations Office (CH) 2011 Annual Planning Summary for Chicago Operations Office (CH) The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2011 and 2012 within the Chicago Operations Office (CH) (See Science APS). PDF icon 2011 Annual Planning Summary for Chicago Operations Office (CH) More Documents & Publications 2012 Annual Planning Summary for Ames Site Office 2011 Annual Planning Summary for Ames Site Office (Ames)

  1. The fluxes of CN neutrinos from the Sun in case of mixing in a spherical layer in the solar core

    SciTech Connect (OSTI)

    Kopylov, Anatoly; Petukhov, Valery E-mail: beril@inr.ru

    2012-03-01

    The results of the calculation are presented for the fluxes of CN neutrinos from the Sun in case of mixing in a spherical layer in the solar core, consistent with the seismic data and with the measured solar neutrino fluxes. It is shown that a substantial increase of the flux of {sup 13}N neutrinos can be gained in this case. The possible implications for experiment are discussed.

  2. Atmospheric Pressure Plasma CVD of Amorphous Hydrogenated Silicon Carbonitride (a-SiCN:H) Films Using Triethylsilane and Nitrogen

    SciTech Connect (OSTI)

    Srinivasan Guruvenket; Steven Andrie; Mark Simon; Kyle W. Johnson; Robert A. Sailer

    2011-10-04

    Amorphous hydrogenated silicon carbonitride (a-SiCN:H) thin films are synthesized by atmospheric pressure plasma enhanced chemical vapor (AP-PECVD) deposition using the Surfx Atomflow{trademark} 250D APPJ source with triethylsilane (HSiEt{sub 3}, TES) and nitrogen as the precursor and the reactive gases, respectively. The effect of the substrate temperature (T{sub s}) on the growth characteristics and the properties of a-SiCN:H films was evaluated. The properties of the films were investigated via scanning electron microscopy (SEM), atomic force microscopy (AFM) for surface morphological analyses, Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) for chemical and compositional analyses; spectroscopic ellipsometry for optical properties and thickness determination and nanoindentation to determine the mechanical properties of the a-SiCN:H films. Films deposited at low T{sub s} depict organic like features, while the films deposited at high T{sub s} depict ceramic like features. FTIR and XPS studies reveal that an increases in T{sub s} helps in the elimination of organic moieties and incorporation of nitrogen in the film. Films deposited at T{sub s} of 425 C have an index of refraction (n) of 1.84 and hardness (H) of 14.8 GPa. A decrease in the deposition rate between T{sub s} of 25 and 250 C and increase in deposition rate between T{sub s} of 250 and 425 C indicate that the growth of a-SiCN:H films at lower T{sub s} are surface reaction controlled, while at high temperatures film growth is mass-transport controlled. Based on the experimental results, a potential route for film growth is proposed.

  3. Ch. VII, Temperature, heat flow maps and temperature gradient...

    Open Energy Info (EERE)

    Report: Ch. VII, Temperature, heat flow maps and temperature gradient holes Author T. G. Zacharakis Editor T. G. Zacharakis Published Colorado Geological Survey in Cooperation...

  4. Ch. I, Report on Waunita Hot Springs Project, Gunnison County...

    Open Energy Info (EERE)

    Report: Ch. I, Report on Waunita Hot Springs Project, Gunnison County, Colorado Author K. W. Nickerson and Associates Editor T. G. Zacharakis Published Colorado Geological...

  5. Voluntary Protection Program Onsite Review, CH2M HILL Plateau...

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

    Programs Participants' Association (VPPPA) Presentation: Conducting your Annual VPP Self Assessment Voluntary Protection Program Onsite Review, CH2M HILL Analytical Technical...

  6. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-04-04

    This procedure provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP).

  7. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-04-13

    This procedure provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP).

  8. trans-K3[TcO2(CN)4

    SciTech Connect (OSTI)

    Chatterjee, Sayandev; Del Negro, Andrew S; Edwards, Matthew K; Twamley, Brendan; Krause, Jeanette A; Bryan, Samuel A

    2010-07-14

    The dioxotetracyanotechnetate anion, [TcO2(CN)4]3-, of the title complex has octahedral symmetry. The technetium is located on a center of inversion and is bound by two oxygen atoms and four cyano ligands. The Tc=O bond distance of 1.7721 (12) Å is consistent with double bond character. The potassium cations [located on special (1/2,0,1) and general positions] reside in octahedral or tetrahedral environments; interionic K···O and K···N interactions occur in the 2.7877 (19)-2.8598 (15) Å range.

  9. Special Report Order, CH2M Hill Hanford Group, Inc. - October...

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

    CH2M Hill Hanford Group, Inc. - October 22, 2001 Special Report Order, CH2M Hill Hanford Group, Inc. - October 22, 2001 October 22, 2001 Special Report Order ssued to CH2M Hill ...

  10. Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

    SciTech Connect (OSTI)

    Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

    1980-01-01

    The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf.

  11. CH2M HILL Plateau Remediation Company | Department of Energy

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

    CH2M HILL Plateau Remediation Company CH2M HILL Plateau Remediation Company The Office of Hea1th, Safety and Security's Office of Enforcement and Oversight has evaluated the facts and circumstances of a series of radiological work deficiencies at the Plutonium Finishing Plant (PFP) and the 105 K-East Reactor Facility (105KE Reactor) by CH2M HILL Plateau Remediation Company (CHPRC). The radiological work deficiencies at PFP are documented in the April 29, 2011, Department of Energy Richland

  12. CH2M Hill Ltd | Open Energy Information

    Open Energy Info (EERE)

    in consulting, design, engineering, procurement, construction, and operations and maintenance. References: CH2M Hill Ltd1 This article is a stub. You can help OpenEI by...

  13. Voluntary Protection Program Onsite Review, CH2M HILL Analytical...

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

    Evaluation to determine whether CH2M HILL Analytical Technical Services is continuing to perform at a level deserving DOE-VPP Star recognition. The Team conducted its review during...

  14. Experimental Confirmation of CH Mandrel Removal from Be Shells (Technical

    Office of Scientific and Technical Information (OSTI)

    Report) | SciTech Connect Experimental Confirmation of CH Mandrel Removal from Be Shells Citation Details In-Document Search Title: Experimental Confirmation of CH Mandrel Removal from Be Shells Sputtered Be shells are made by sputter deposition of Be, with a radially graded Cu dopant as necessary, onto plastic mandrels supplied by General Atomics. Although the plastic mandrel may not be a design issue, it is a fielding issue because at cryo temperatures the plastic shrinks more than the Be

  15. Threshold of photoelectron emission from CN{sub x} films deposited at room temperature and at 500 deg. C

    SciTech Connect (OSTI)

    Sago, Genki; Li Wanyan; Goto, Keisuke; Ichikawa, Yo; Ishida, Yoshihisa; Kohiki, Shigemi

    2004-10-15

    The threshold of photoelectron emission was measured for amorphous CN{sub x} films deposited at room temperature (RT) and at 500 deg. C. The x values of the films deposited at RT and at 500 deg. C by magnetron sputtering of a graphite target in a mixed N{sub 2}/Ar gas were 0.6 and 0.3, respectively. Ratios of the sp{sup 2}- to sp{sup 3}-hybridized components of both C and N for the film deposited at 500 deg. C were larger by {approx_equal}4 times than those for the film deposited at RT. The onsets of the electron emission by photon irradiation were 5.0 and 4.7 eV for the films deposited at RT and at 500 deg. C, respectively.

  16. Independent Oversight Review, Hanford Site CH2M Hill Plateau Remediation Company- November 2012

    Broader source: Energy.gov [DOE]

    Review of the Hanford Site CH2M Hill Plateau Remediation Company Implementation Verification Review Processes

  17. Draft Genome sequence of Frankia sp. strains CN3 , an atypical, non-infective (Nod-) ineffective (Fix-) isolate from Coriaria nepalensis

    SciTech Connect (OSTI)

    Ghodhbane-Gtari, Faten; Beauchemin, Nicholas; Bruce, David; Chain, Patrick S. G.; Chen, Amy; Davenport, Karen W.; Deshpande, Shweta; Detter, J. Chris; Furnholm, Teal; Goodwin, Lynne A.; Gtari, Maher; Han, Cliff; Han, James; Huntemann, Marcel; Ivanova, N; Kyrpides, Nikos C; Land, Miriam L; Markowitz, Victor; Mavromatis, K; Nolan, Matt; Nouioui, Imen; Pagani, Ioanna; Pati, Amrita; Pitluck, Sam; Santos, Catarina; Sen, Arnab; Sur, Saubashya; Szeto, Ernest; Tavares, Fernando; Hazuki, Teshima; Thakur, Subarna; Wall, Luis; Woyke, Tanja; Tisa, Louis S.

    2013-01-01

    We report here the genome sequence of Frankia sp. strain CN3, which was isolated from Coriaria nepalensis. This genome sequence is the first from the fourth lineage of Frankia, that are unable to re-infect actinorhizal plants. At 10 Mb, it represents the largest Frankia genome sequenced to date.

  18. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-05-06

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  19. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-08-28

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  20. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-03-21

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  1. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2002-10-17

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  2. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2002-12-18

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  3. Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

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

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Singh, David J.; Svane, Axel; Christensen, Niels Egede; Mahanti, Subhendra D.

    2015-07-15

    Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm–1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

  4. Structural and Morphological Difference Between Ti/TiN/TiCN Coatings Grown in Multilayer and Graded Form

    SciTech Connect (OSTI)

    Restrepo, E.; Baena, A.; Agudelo, C.; Castillo, H.; Devia, A.; Marino, A.

    2006-12-04

    Thin films can be grown in super-lattice, multilayers and graded form, having each one advantages and disadvantages. The difference between multilayer and graded coatings is the interface. In multilayers the interface is abrupt and in graded coatings it is diffuse. The interface influences many chemical and physical properties of the materials, and its choice depends on the application. Graded coatings have the advantage of having gradual properties such as thermal expansion coefficient and lattice parameter, avoiding adherence problems due to good match between their component materials. In this work the comparison between some properties of coatings grown as multilayer and graded is performed. The materials are produced using the sputtering DC technique because of its facility to control the deposition parameters and generate a slow growth. The target is a disc of titanium and the samples are made of stainless steel 304. The working gases are argon, nitrogen and methane, which are mixed according to the material to be produced, i.e. Ti layer is grown with argon, the TiN film is produced with a mixture of argon and nitrogen, and the TiCN material is obtained mixing argon, nitrogen and methane. These materials are characterized with AFM in order to determine grain size and with XPS studying the chemical composition and performing depth profiles.

  5. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc...

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

    Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc. - EA-2006-06 November 16, 2006 Issued to CH2M Hill Hanford Group, Inc., related to Radiological Contamination Events ...

  6. Enforcement Letter, CH2M Hill Hanford Group, Inc - July 8, 2005...

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

    Inc - July 8, 2005 Enforcement Letter, CH2M Hill Hanford Group, Inc - July 8, 2005 July 8, 2005 Issued to CH2M Hill Hanford Group, Inc., related to Neutron Exposure at the Hanford...

  7. Preliminary Notice of Violation, CH2M-Washington Group Idaho...

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

    M-Washington Group Idaho, LLC - EA-2007-03 Preliminary Notice of Violation, CH2M-Washington Group Idaho, LLC - EA-2007-03 June 14, 2007 Issued to CH2M-Washington Group Idaho, LLC,...

  8. Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination...

    Office of Environmental Management (EM)

    DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September 2015 Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September ...

  9. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H...

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

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Wednesday, 28 June 2006 00:00 Two of...

  10. Enforcement Letter, CH2M Hill Hanford Group, Inc.- April 24, 2001

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Nuclear Safety Management at the Hanford Site Tank Farms

  11. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc.- EA-2003-06

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Quality Assurance Issues at the Hanford Site Tank Farms

  12. Enforcement Letter, CH2M Hill Hanford Group Inc,- September 6, 2007

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Quality Improvement Deficiencies at the Hanford Tank Farms

  13. Independent Activity Report, CH2M Hill Plateau Remediation Company- January 2011

    Broader source: Energy.gov [DOE]

    Review of the CH2M Hill Plateau Remediation Company Unreviewed Safety Question Procedure [ARPT-RL-2011-003

  14. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc- EA-2005-01

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Radiological and Operational Events at the Hanford Tank Farms

  15. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4

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

    Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.

    2013-01-01

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN)4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P21/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å3, Z = 4, Dc = 1.46 g cm-1. Ni(bpene)[Ni(CN)4] assumes a pillared layer structure with layers defined by Ni[Ni(CN)4]n nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution andmore » dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN)4](1/2)bpene∙DMSO2H2O, or Ni2N7C24H25SO3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO2 per unit cell was obtained.« less

  16. Fabrication of the C-N co-doped rod-like TiO{sub 2} photocatalyst with visible-light responsive photocatalytic activity

    SciTech Connect (OSTI)

    Li, Liang-Hai; Lu, Juan; Wang, Zuo-Shan; State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 ; Yang, Lu; Zhou, Xiu-Feng; Han, Lu

    2012-06-15

    Highlights: ? Novel synthesis of C-N co-doped TiO{sub 2}. ? Self-assembly of C-N co-doped TiO{sub 2} nanorods by nanoparticles. ? Excellent photocatalytic efficiency. -- Abstract: The C-N co-doped TiO{sub 2} nanorods were synthesized by the vapor transport method of water molecules, and urea was used as the carbon and nitrogen source. The samples were characterized by X-ray diffraction and photoelectron spectroscopy analysis. The scanning electron microscope images showed that as-prepared TiO{sub 2} powders were nanorods, which were formed by the stacking of nanoparticles with a uniform size around 40 nm. The degradation of methylene blue with the prepared nanorods demonstrated the photocatalytic activities of TiO{sub 2} under visible light are improved by doping with C and N elements. The main reasons were discussed: doping with C and N elements could enhance the corresponding visible-light absorption of TiO{sub 2}. On the other hand, doping C and N could create more oxygen vacancies in the TiO{sub 2} crystals, which could capture the photogenerated electrons more effectively. Thus, more photogenerated holes could be left to improve the photocatalytic activity of TiO{sub 2}.

  17. SF6432-CN

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

    ... THAT MAY INVOLVE ACCESS TO CLASSIFIED INFORMATION DEAR 952.204-2 Security DEAR 952.204-70 ClassificationDeclassification DEAR 970.5204-1 Counterintelligence APPLIES TO ANY ...

  18. SF6432-CN

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

    a third party, resulting from failure to comply with the requirements of this contract or failure to exercise reasonable care in performing the work. If the Contractor fails or...

  19. SF6432-CN

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

    resulting from failure to comply with the requirements of this contract or failure to exercise reasonable care in performing the work. If the Contractor fails or...

  20. SF6432-CN Construction

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

    a third party, resulting from failure to comply with the requirements of this contract or failure to exercise reasonable care in performing the work. If the Contractor fails or...

  1. Decomposition and vibrational relaxation in CH{sub 3}I and self-reaction of CH{sub 3} radicals.

    SciTech Connect (OSTI)

    Yang, X.; Goldsmith, C. F.; Tranter, R. S.

    2009-07-01

    Vibrational relaxation and dissociation of CH{sub 3}I, 2-20% in krypton, have been investigated behind incident shock waves in a diaphragmless shock tube at 20, 66, 148, and 280 Torr and 630-2200 K by laser schlieren densitometry. The effective collision energy obtained from the vibrational relaxation experiments has a small, positive temperature dependence, {Delta}E{sub down} = 63 x (T/298){sup 0.56} cm{sup -1}. First-order rate coefficients for dissociation of CH{sub 3}I show a strong pressure dependence and are close to the low-pressure limit. Restricted-rotor Gorin model RRKM calculations fit the experimental results very well with {Delta}E{sub down} = 378 x (T/298){sup 0.457} cm{sup -1}. The secondary chemistry of this reaction system is dominated by reactions of methyl radicals and the reaction of the H atom with CH{sub 3}I. The results of the decomposition experiments are very well simulated with a model that incorporates methyl recombination and reactions of methylene. Second-order rate coefficients for ethane dissociation to two methyl radicals were derived from the experiments and yield k = (4.50 {+-} 0.50) x 10{sup 17} exp(-32709/T) cm{sup 3} mol{sup -1} s{sup -1}, in good agreement with previous measurements. Rate coefficients for H + CH{sub 3}I were also obtained and give k = (7.50 {+-} 1.0) x 10{sup 13} exp(-601/T) cm{sup 3} mol{sup -1} s{sup -1}, in reasonable agreement with a previous experimental value.

  2. ChEAS Data: The Chequamegon Ecosystem Atmosphere Study

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

    Davis, Kenneth J. [Penn State

    The Chequamegon Ecosystem-Atmosphere Study (ChEAS) is a multi-organizational research effort studying biosphere/atmosphere interactions within a northern mixed forest in Northern Wisconsin. A primary goal is to understand the processes controlling forest-atmosphere exchange of carbon dioxide and the response of these processes to climate change. Another primary goal is to bridge the gap between canopy-scale flux measurements and the global CO2 flask sampling network. The ChEAS flux towers participate in AmeriFlux, and the region is an EOS-validation site. The WLEF tower is a NOAA-CMDL CO2 sampling site. ChEAS sites are primarily located within or near the Chequamegon-Nicolet National Forest in northern Wisconsin, with one site in the Ottawa National Forest in the upper peninsula of Michigan. Current studies observe forest/atmosphere exchange of carbon dioxide at canopy and regional scales, forest floor respiration, photosynthesis and transpiration at the leaf level and use models to scale to canopy and regional levels. EOS-validation studies quantitatively assess the land cover of the area using remote sensing and conduct extensive ground truthing of new remote sensing data (i.e. ASTER and MODIS). Atmospheric remote sensing work is aimed at understanding atmospheric boundary layer dynamics, the role of entrainment in regulating the carbon dioxide mixing ratio profiles through the lower troposphere, and feedback between boundary layer dynamics and vegetation (especially via the hydrologic cycle). Airborne studies have included include balloon, kite and aircraft observations of the CO2 profile in the troposphere.

  3. SAPO-34 Membranes for N-2/CH4 separation: Preparation, characterization, separation performance and economic evaluation

    SciTech Connect (OSTI)

    Li, SG; Zong, ZW; Zhou, SJ; Huang, Y; Song, ZN; Feng, XH; Zhou, RF; Meyer, HS; Yu, M; Carreon, MA

    2015-08-01

    SAPO-34 membranes were synthesized by several routes towards N-2/CH4 separation. Membrane synthesis parameters including water content in the gel, crystallization time, support pore size, and aluminum source were investigated. High performance N-2-selective membranes were obtained on 100-nm-pore alumina tubes by using Al(i-C3H7O)(3) as aluminum source with a crystallization time of 6 h. These membranes separated N-2 from CH, with N-2 permeance as high as 500 GPU with separation selectivity of 8 at 24 degrees C. for a 50/50 N-2/CH4 mixture. Nitrogen and CH, adsorption isotherms were measured on SAPO-34 crystals. The N-2 and CH, heats of adsorption were 11 and 15 kJ/mol, respectively, which lead to a preferential adsorption of CE-H-4 over N-2 in the N-2/CH4 mixture. Despite this, the SAPO-34 membranes were selective for N-2 over CH4 in the mixture because N-2 diffuses much faster than CH4 and differences in diffusivity played a more critical role than the competitive adsorption. Preliminary economic evaluation indicates that the required N-2/CH4 selectivity would be 15 in order to maintain a CH4 loss below 10%. For small nitrogen-contaminated gas wells, our current SAPO-34 membranes have potential to compete with the benchmark technology cryogenic distillation for N-2 rejection. (C) 2015 Elsevier B.V. All rights reserved,

  4. Methanogenic Conversion of CO2 Into CH4

    SciTech Connect (OSTI)

    Stevens, S.H., Ferry, J.G., Schoell, M.

    2012-05-06

    This SBIR project evaluated the potential to remediate geologic CO2 sequestration sites into useful methane gas fields by application of methanogenic bacteria. Such methanogens are present in a wide variety of natural environments, converting CO2 into CH4 under natural conditions. We conclude that the process is generally feasible to apply within many of the proposed CO2 storage reservoir settings. However, extensive further basic R&D still is needed to define the precise species, environments, nutrient growth accelerants, and economics of the methanogenic process. Consequently, the study team does not recommend Phase III commercial application of the technology at this early phase.

  5. Test Plan: WIPP bin-scale CH TRU waste tests

    SciTech Connect (OSTI)

    Molecke, M.A.

    1990-08-01

    This WIPP Bin-Scale CH TRU Waste Test program described herein will provide relevant composition and kinetic rate data on gas generation and consumption resulting from TRU waste degradation, as impacted by synergistic interactions due to multiple degradation modes, waste form preparation, long-term repository environmental effects, engineered barrier materials, and, possibly, engineered modifications to be developed. Similar data on waste-brine leachate compositions and potentially hazardous volatile organic compounds released by the wastes will also be provided. The quantitative data output from these tests and associated technical expertise are required by the WIPP Performance Assessment (PA) program studies, and for the scientific benefit of the overall WIPP project. This Test Plan describes the necessary scientific and technical aspects, justifications, and rational for successfully initiating and conducting the WIPP Bin-Scale CH TRU Waste Test program. This Test Plan is the controlling scientific design definition and overall requirements document for this WIPP in situ test, as defined by Sandia National Laboratories (SNL), scientific advisor to the US Department of Energy, WIPP Project Office (DOE/WPO). 55 refs., 16 figs., 19 tabs.

  6. Graphene Oxide Catalyzed C-H Bond Activation: The Importance Oxygen

    Office of Scientific and Technical Information (OSTI)

    Functional Groups for Biaryl Construction (Journal Article) | SciTech Connect Graphene Oxide Catalyzed C-H Bond Activation: The Importance Oxygen Functional Groups for Biaryl Construction Citation Details In-Document Search Title: Graphene Oxide Catalyzed C-H Bond Activation: The Importance Oxygen Functional Groups for Biaryl Construction A heterogeneous, inexpensive and environment-friendly carbon catalytic system was developed for the C-H bond arylation of benzene resulting in the

  7. Cp* Iridium Precatalysts for Selective C-H Oxidation via Direct Insertion.

    Office of Scientific and Technical Information (OSTI)

    A Joint Experimental/Computational Study (Journal Article) | SciTech Connect Cp* Iridium Precatalysts for Selective C-H Oxidation via Direct Insertion. A Joint Experimental/Computational Study Citation Details In-Document Search Title: Cp* Iridium Precatalysts for Selective C-H Oxidation via Direct Insertion. A Joint Experimental/Computational Study A series of Cp*Ir complexes are active precatalysts in C-H oxidation of cis-decalin, cyclooctane, 1-acetylpyrrolidine, tetrahydrofurans, and

  8. Voluntary Protection Program Onsite Review, CH2M HILL Analytical Technical Services- January 2008

    Broader source: Energy.gov [DOE]

    Evaluation to determine whether CH2M HILL Analytical Technical Services is continuing to perform at a level deserving DOE-VPP Star recognition.

  9. Enforcement Letter, CH2M Hill Mound, Inc- December 22, 2004

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Mound, Inc. related to a Radioactive Contamination Event during Remediation Activities at the Miamisburg Closure Project

  10. Voluntary Protection Program Onsite Review, CH2M WG LLC, Idaho Cleanup Project March 2014

    Broader source: Energy.gov [DOE]

    Evaluation to determine whether CH2M WG LLC, Idaho Cleanup Project is performing at a level deserving DOE-VPP Star recognition.

  11. Preliminary Notice of Violation, CH2M HILL Hanford Group, Inc.- NEA-2008-02

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to a Radioactive Waste Spill at the Hanford Site Tank Farms

  12. Photolysis of CH{sub 3}CHO at 248 nm: Evidence of triple fragmentation from primary quantum yield of CH{sub 3} and HCO radicals and H atoms

    SciTech Connect (OSTI)

    Morajkar, Pranay; Schoemaecker, Coralie; Fittschen, Christa; Bossolasco, Adriana

    2014-06-07

    Radical quantum yields have been measured following the 248 nm photolysis of acetaldehyde, CH{sub 3}CHO. HCO radical and H atom yields have been quantified by time resolved continuous wave Cavity Ring Down Spectroscopy in the near infrared following their conversion to HO{sub 2} radicals by reaction with O{sub 2}. The CH{sub 3} radical yield has been determined using the same technique following their conversion into CH{sub 3}O{sub 2}. Absolute yields have been deduced for HCO radicals and H atoms through fitting of time resolved HO{sub 2} profiles, obtained under various O{sub 2} concentrations, to a complex model, while the CH{sub 3} yield has been determined relative to the CH{sub 3} yield from 248 nm photolysis of CH{sub 3}I. Time resolved HO{sub 2} profiles under very low O{sub 2} concentrations suggest that another unknown HO{sub 2} forming reaction path exists in this reaction system besides the conversion of HCO radicals and H atoms by reaction with O{sub 2}. HO{sub 2} profiles can be well reproduced under a large range of experimental conditions with the following quantum yields: CH{sub 3}CHO?+?h?{sub 248nm} ? CH{sub 3}CHO{sup *}, CH{sub 3}CHO{sup *} ? CH{sub 3}?+?HCO??{sub 1a} = 0.125??0.03, CH{sub 3}CHO{sup *} ? CH{sub 3}?+?H?+?CO??{sub 1e} = 0.205??0.04, CH{sub 3}CHO{sup *}?{sup o{sub 2}}CH{sub 3}CO?+?HO{sub 2}??{sub 1f} = 0.07??0.01. The CH{sub 3}O{sub 2} quantum yield has been determined in separate experiments as ?{sub CH{sub 3}} = 0.33 0.03 and is in excellent agreement with the CH{sub 3} yields derived from the HO{sub 2} measurements considering that the triple fragmentation (R1e) is an important reaction path in the 248 nm photolysis of CH{sub 3}CHO. From arithmetic considerations taking into account the HO{sub 2} and CH{sub 3} measurements we deduce a remaining quantum yield for the molecular pathway: CH{sub 3}CHO{sup *} ? CH{sub 4}?+?CO??{sub 1b} = 0.6. All experiments can be consistently explained with absence of the formerly considered pathway: CH{sub 3}CHO{sup *} ? CH{sub 3}CO?+?H??{sub 1c} = 0.

  13. Method of preparing (CH.sub.3).sub.3 SiNSO and byproducts thereof

    DOE Patents [OSTI]

    Spicer, Leonard D.; Bennett, Dennis W.; Davis, Jon F.

    1984-01-01

    (CH.sub.3).sub.3 SiNSO is produced by the reaction of ((CH.sub.3).sub.3 Si).sub.2 NH with SO.sub.2. Also produced in the reaction are ((CH.sub.3).sub.3 Si).sub.2 O and a new solid compound [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ]. Both (CH.sub.3).sub.3 SiNSO and [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] have fluorescent properties. The reaction of the subject invention is used in a method of measuring the concentration of SO.sub.2 pollutants in gases. By the method, a sample of gas is bubbled through a solution of ((CH.sub.3).sub.3 Si).sub.2 NH, whereby any SO.sub.2 present in the gas will react to produce the two fluorescent products. The measured fluorescence of these products can then be used to calculate the concentration of SO.sub.2 in the original gas sample. The solid product [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] may be used as a standard in solid state NMR spectroscopy.

  14. Local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6] probed with implanted muons

    SciTech Connect (OSTI)

    Lancaster, T.; Pratt, F. L.; Blundell, S. J.; Steele, Andrew J.; Baker, Peter J.; Wright, Jack D.; Fishman, Randy Scott; Miller, Joel S.

    2011-01-01

    We present a muon-spin relaxation study of local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6]. We observe magnetic order with TN = 33 K, although above 25 K the sublattice spins become less rigid and a degree of static magnetic disorder is observed. The comparison of measurements in applied magnetic field with simulations allows us to understand the origin of the muon response across the metamagnetic transition and to map out the phase diagram of the material. Applied hydrostatic pressures of up to 6 kbar lead to an increase in the local magnetic field along with a complex change in the internal magnetic field distribution.

  15. Independent Oversight Review, Richland Operations Office and CH2M Hill Plateau Remediation Company and Mission Support Alliance- April 2012

    Broader source: Energy.gov [DOE]

    Review of Richland Operations Office and CH2M Hill Plateau Remediation Company and Mission Support Alliance Conduct of Operations

  16. Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for

    Energy Savers [EERE]

    April to September 2015 | Department of Energy Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September 2015 Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September 2015 DOE's Oak Ridge Environmental Management Office told URS | CH2M Oak Ridge LLC (UCOR) in a letter that it had completed its evaluation of the company's performance for the award fee period of April to September 2015 and determined that UCOR earned a

  17. Consent Order, CH2M Hill Hanford Group, Inc. - EA-2000-09 | Department of

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

    Energy M Hill Hanford Group, Inc. - EA-2000-09 Consent Order, CH2M Hill Hanford Group, Inc. - EA-2000-09 July 25, 2000 Issued to CH2M Hill Hanford Group, Inc., related to Quality Problems at the Hanford Site Tank Farms, (EA-2000-09) On July 25, 2000, the U.S. Department of Energy issued a Consent Order to CH2M Hill Hanford Group, Inc. relating to quality problems with the procurement of safety class piping for the W-314 Project at the Tank Farm Waste Remediation System at DOE's Hanford

  18. Consent Order, CH2M-WG Idaho, LLC - WCO-2011-01 | Department of Energy

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

    M-WG Idaho, LLC - WCO-2011-01 Consent Order, CH2M-WG Idaho, LLC - WCO-2011-01 October 6, 2011 Issued to CH2M-WG Idaho, LLC related to a Hoisting Incident that occurred at the Sodium Bearing Waste Treatment Project at the Idaho National Laboratory On October 6, 2011, the U.S. Department of Energy (DOE) Office of Health Safety and Security's Office of Enforcement and Oversight issued a Consent Order to CH2M-WG Idaho, LLC (CWI) for deficiencies in CWI's oversight of its construction subcontractor

  19. Voluntary Protection Program Onsite Review, URS | CH2M Oak Ridge LLC -

    Energy Savers [EERE]

    April 2015 | Department of Energy URS | CH2M Oak Ridge LLC - April 2015 Voluntary Protection Program Onsite Review, URS | CH2M Oak Ridge LLC - April 2015 April 2015 UCOR is admitted to the Department of Energy Voluntary Protection Program as a Star Participant. This report summarizes the results from the evaluation of URS | CH2M OAK RIDGE LLC (UCOR) in Oak Ridge, Tennessee during the period of April 14-23 2015, and provides the Associate Under Secretary for AU with the necessary information

  20. DOE Cites CH2M Hill Hanford Group, Inc. for Price-Anderson Violations |

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

    Department of Energy CH2M Hill Hanford Group, Inc. for Price-Anderson Violations DOE Cites CH2M Hill Hanford Group, Inc. for Price-Anderson Violations June 5, 2008 - 12:51pm Addthis WASHINGTON, DC - The Department of Energy (DOE) today issued a Preliminary Notice of Violation (PNOV) to CH2M Hill Hanford Group, Inc. (CHG) for nuclear safety violations. CHG is the tank operations contractor for the tank farms located at DOE's Hanford Site in southeastern Washington State. The PNOV cites a

  1. DOE Selects CH2M Hill Plateau Remediation Company for Plateau Remediation

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

    Contract at its Hanford Site | Department of Energy CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its Hanford Site DOE Selects CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its Hanford Site June 19, 2008 - 1:29pm Addthis WASHINGTON, DC - The U.S. Department of Energy (DOE) today announced that CH2M Hill Plateau Remediation Company has been selected as the plateau remediation contractor for DOE's Hanford Site in southeastern Washington

  2. Enforcement Letter, CH2M Oak Ridge, LLC - SEL-2012-01 | Department of

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

    Energy Oak Ridge, LLC - SEL-2012-01 Enforcement Letter, CH2M Oak Ridge, LLC - SEL-2012-01 May 4, 2012 Issued to URS CH2M Oak Ridge, LLC, related to a Security Incident involving the Protection and Control of Classified Information at the East Tennessee Technology Park On May 4, 2012, the U.S. Department of Energy (DOE) Office of Health, Safety and Security's Office of Enforcement and Oversight issued an Enforcement Letter (SEL-2012-01) to URS CH2M Oak Ridge, LLC relating to concerns

  3. Enforcement Letter, CH2M-WG Idaho - September 28, 2011 | Department of

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

    Energy M-WG Idaho - September 28, 2011 Enforcement Letter, CH2M-WG Idaho - September 28, 2011 Issued to CH2M-WG Idaho, LLC related to Quality Assurance and Work Control Issues during Construction of the Sodium Bearing Waste Treatment Project at the Idaho National Laboratory On September 28, 2011, the U.S. Department of Energy (DOE) Office of Health, Safety and Security's Office of Enforcement and Oversight issued an Enforcement Letter to CH2M-Washington Group Idaho, LLC (NEL-2011-01) related

  4. Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4...

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

    do this, we first identified a suitable force field for describing CO2, N2, and CH4 adsorption in ZIFs. On the basis of the validated force field, adsorption selectivities of the...

  5. Preliminary Notice of Violation, CH2M-Washington Group Idaho, LLC- EA-2007-03

    Broader source: Energy.gov [DOE]

    Issued to CH2M-Washington Group Idaho, LLC, related to Radiation Protection Program Deficiencies at the Radioactive Waste Management Complex - Accelerated Retrieval Project at the Idaho National Laboratory

  6. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4...

    Office of Scientific and Technical Information (OSTI)

    ...Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Citation Details In-Document Search Title: Fundamental Understanding of Methane-Carbon Dioxide-Water ...

  7. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4...

    Office of Scientific and Technical Information (OSTI)

    Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Citation Details In-Document Search Title:...

  8. Hindering effects in diffusion of CO2/CH4 mixtures in ZIF-8 crystals...

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

    Hindering effects in diffusion of CO2CH4 mixtures in ZIF-8 crystals Previous Next List C. Chmelik, J. van Baten, and R. Krishna, J. Membr. Sci. 397, 87 (2012) DOI: 10.1016...

  9. Enforcement Letter, CH2M-Washington Group Idaho LLC , - May 20...

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

    , - May 20, 2009 May 20, 2009 Issued to CH2M-Washington Group Idaho, LLC, for Electrical Safety Deficiencies at the Idaho National Laboratory On May 20, 2009, the U.S. Department...

  10. Park, Y.J.; Hofmayer, C.H. [Brookhaven National Lab., Upton,...

    Office of Scientific and Technical Information (OSTI)

    Understanding seismic design criteria for Japanese nuclear power plants Park, Y.J.; Hofmayer, C.H. Brookhaven National Lab., Upton, NY (United States); Costello, J.F. US Nuclear...

  11. Contract DE-AC02-07CH11358 Modifications Language Changes

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

    AC02-07CH11358 Modifications Language Changes Modification 183 October 23, 2015 Part I, Section H - Special Contract Requirements (replace Mod 171) Part II, Section I - Contract...

  12. Quantitative Visualization of ChIP-chip Data by Using Linked...

    Office of Scientific and Technical Information (OSTI)

    Most analyses of ChIP-chip in vivo DNA binding have focused on qualitative descriptions of ... analyze and explore in vivo DNA binding data of multiple transcription factors. ...

  13. Voluntary Protection Program Onsite Review, CH2M HILL B&W West...

    Office of Environmental Management (EM)

    B&W West Valley LLC, West Valley Demonstration Project - October 2013 Voluntary Protection Program Onsite Review, CH2M HILL B&W West Valley LLC, West Valley Demonstration Project -...

  14. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O)

    Office of Scientific and Technical Information (OSTI)

    Interactions in Shale Nanopores under Reservoir Conditions. (Conference) | SciTech Connect Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Citation Details In-Document Search Title: Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Abstract not provided. Authors: Wang, Yifeng Publication Date: 2014-12-01 OSTI Identifier: 1242810

  15. BG/Q DGEMM Performance | Argonne Leadership Computing Facility

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

    Renewable Energy Source | Department of Energy BETO Deputy Director Publishes Commentary on Development of Algae as Renewable Energy Source BETO Deputy Director Publishes Commentary on Development of Algae as Renewable Energy Source March 30, 2015 - 1:28pm Addthis Bioenergy Technologies Office (BETO) Deputy Director Dr. Valerie Sarisky-Reed's commentary, "Algal Progress Report," was published in the February edition of the bimonthly research journal Industrial Biotechnology. Her

  16. Systematic investigation of electronic structure in BEDT-TTF based organic superconductors with Tc above 10 K; [kappa]-(BEDT-TTF)[sub 2]X (X = Cu(NCS)[sub 2], Cu[N(CN)[sub 2

    SciTech Connect (OSTI)

    Nakamura, Toshikazu; Nobutoki, Tomoko; Miyamoto, Masao; Tsubokura, Yuichi; Tsuchiya, Ryota; Takahashi, Toshihiro ); Kanoda, Kazushi ); Saito, Gunzi )

    1994-06-01

    The electronic structure of the title superconductors has been investigated by electrical resistivity, complex susceptibility, and electron paramagnetic resonance (EPR) measurements. The superconducting properties (pressure dependence of Tc, magnetic penetration depth, upper critical field, and so on) of these three salts are similar to each other, while transport properties in the normal state have shown a large variety in the temperature dependence. In order to clarify the electronic structure in the normal state, the EPR parameters, the spin susceptibility ([Chi][sub spin]), and the linewidth ([Delta]H[sub pp]), are compared. An anomalous temperature dependence of the g-value has been observed below 150 K in the Cu(NCS)[sub 2] and Cu(CN)[N(CN)[sub 2

  17. Insights into the structure of mixed CO2/CH4 in gas hydrates

    SciTech Connect (OSTI)

    Everett, Susan M; Rawn, Claudia J; Chakoumakos, Bryan C; Keffer, David J.; Huq, Ashfia; Phelps, Tommy Joe

    2015-01-01

    The exchange of CO2 for CH4 in natural gas hydrates is an attractive approach to methane for energy production while simultaneously sequestering CO2. In addition to the energy and environmental implications, the solid solution of clathrate hydrate (CH4)1-x(CO2)x 5.75H2O provides a model system to study how the distinct bonding and shapes of CH4 and CO2 influence the structure and properties of the compound. High-resolution neutron diffraction was used to examine mixed CO2/CH4 gas hydrates. CO2-rich hydrates had smaller lattice parameters, which were attributed to the higher affinity of the CO2 molecule interacting with H2O molecules that form the surrounding cages, and resulted in a reduction in the unit cell volume. Experimental nuclear scattering densities illustrate how the cage occupants and energy landscape change with composition. These results provide important insights on the impact and mechanisms for exchanging CH4 and CO2.

  18. Insights into the structure of mixed CO2/CH4 in gas hydrates

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

    Everett, Susan M; Rawn, Claudia J; Chakoumakos, Bryan C; Keffer, David J.; Huq, Ashfia; Phelps, Tommy Joe

    2015-01-01

    The exchange of CO2 for CH4 in natural gas hydrates is an attractive approach to methane for energy production while simultaneously sequestering CO2. In addition to the energy and environmental implications, the solid solution of clathrate hydrate (CH4)1-x(CO2)x 5.75H2O provides a model system to study how the distinct bonding and shapes of CH4 and CO2 influence the structure and properties of the compound. High-resolution neutron diffraction was used to examine mixed CO2/CH4 gas hydrates. CO2-rich hydrates had smaller lattice parameters, which were attributed to the higher affinity of the CO2 molecule interacting with H2O molecules that form the surrounding cages,more » and resulted in a reduction in the unit cell volume. Experimental nuclear scattering densities illustrate how the cage occupants and energy landscape change with composition. These results provide important insights on the impact and mechanisms for exchanging CH4 and CO2.« less

  19. Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids

    SciTech Connect (OSTI)

    Zhang, Y; Maginn, EJ

    2014-01-01

    Based on molecular dynamics simulations, the melting points T-m of a series of 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids [CnMIM][PF6] with n = 2, 4, 10, 12, and 14 were studied using the free energy-based pseudosupercritical path (PSCP) method. The experimental trend that the Tm decreases with increasing alkyl chain length for ILs with short alkyl chains and increases for the ones with long alkyl chains was correctly captured. Further analysis revealed that the different trends are the results of the balance between fusion enthalpy and fusion entropy. For the ILs with short alkyl chains (ethyl and butyl groups), fusion entropy plays the dominant role so that [C4MIM][PF6], which has a larger fusion entropy due to its higher liquid phase entropy has the lower melting temperature. As for the ILs with long alkyl chains, due to the enhanced van der Waals interactions brought about by the long non-polar alkyl chains, enthalpy becomes the deciding factor and the melting points increase when the alkyl chain goes from C10 to C14. While the melting points for [C2MIM][PF6] and [C4MIM][PF6] were quantitatively predicted and the trends for the long chain ILs were captured correctly, the absolute melting points for [C10MIM][PF6], [C12MIM][PF6] and [C14MIM][PF6] were systematically overestimated in the simulations. Three possible reasons for the overestimation were studied but all ruled out. Further simulation or experimental studies are needed to explain the difference.

  20. DETECTIONS OF C{sub 2}H, CYCLIC-C{sub 3}H{sub 2}, AND H{sup 13}CN IN NGC 1068

    SciTech Connect (OSTI)

    Nakajima, T.; Takano, S.; Kohno, K.; Inoue, H.

    2011-02-20

    We used the Nobeyama 45 m telescope to conduct a spectral line survey in the 3 mm band (85.1-98.4 GHz) toward one of the nearest galaxies with an active galactic nucleus (AGN), NGC 1068, and the prototypical starburst galaxy NGC 253. The beam size of this telescope is {approx} 18'', which was sufficient to spatially separate the nuclear molecular emission from the emission of the circumnuclear starburst region in NGC 1068. We detected rotational transitions of C{sub 2}H, cyclic-C{sub 3}H{sub 2}, and H{sup 13}CN in NGC 1068. These are detections of carbon-chain and carbon-ring molecules in NGC 1068. In addition, the C{sub 2}H N = 1-0 lines were detected in NGC 253. The column densities of C{sub 2}H were determined to be 3.4 x 10{sup 15} cm{sup -2} in NGC 1068 and 1.8 x 10{sup 15} cm{sup -2} in NGC 253. The column densities of cyclic-C{sub 3}H{sub 2} were determined to be 1.7 x 10{sup 13} cm{sup -2} in NGC 1068 and 4.4 x 10{sup 13} cm{sup -2} in NGC 253. We calculated the abundances of these molecules relative to CS for both NGC 1068 and NGC 253, and found that there were no significant differences in the abundances between the two galaxies. This result suggests that the basic carbon-containing molecules are either insusceptible to AGN or are tracing cold (T{sub rot} {approx} 10 K) molecular gas rather than X-ray irradiated hot gas.

  1. Voluntary Protection Program Onsite Review, CH2M HILL Plateau Remediation Co., Inc., Hanford – Jan 2014

    Broader source: Energy.gov [DOE]

    Evaluation to determine whether CH2M HILL Plateau Remediation Co., Inc., Hanford is performing at a level deserving DOE-VPP Star recognition.

  2. Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-1

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

    52 Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-1 Attachment J.6 APPENDIX F Contractor Resources, Commitments, and Agreements Contract No. DE-AC02-09CH11466 Modification No. 0152 Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-2 This page intentionally blank Modification No. 0152 Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-3 RESOURCES, SERVICES, AND SUPPORT PROVIDED TO PPPL Princeton University has committed substantial resources and services over the first

  3. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

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

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Wednesday, 28 June 2006 00:00 Two of the major challenges for humanity in the next 20 years are the shrinking availability of fossil fuels and the global warming and potential climate changes that result from their ever-increasing use. One possible solution to these problems is to use an energy carrier such as hydrogen, and ways to produce and store

  4. Local extinction and near-field structure in piloted turbulent CH4/air jet

    Office of Scientific and Technical Information (OSTI)

    flames with inhomogeneous inlets (Journal Article) | SciTech Connect Local extinction and near-field structure in piloted turbulent CH4/air jet flames with inhomogeneous inlets Citation Details In-Document Search This content will become publicly available on September 14, 2017 Title: Local extinction and near-field structure in piloted turbulent CH4/air jet flames with inhomogeneous inlets Authors: Barlow, R. S. Search SciTech Connect for author "Barlow, R. S." Search SciTech

  5. Joint DOE-CH2M News Release Media Contact: For Immediate Release:

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

    Joint DOE-CH2M News Release Media Contact: For Immediate Release: Destry Henderson, CH2M, (509) 376-8644, April 20, 2015 destry_j_henderson@rl.gov Mark Heeter, DOE, (509)373-1970, mark.heeter@rl.doe.gov WORKERS REMOVE LAST PENCIL TANK FROM KEY AREA OF HANFORD'S PLUTONIUM FINISHING PLANT Removal of contaminated pencil tanks brings facility one step closer toward demolition RICHLAND, Wash. - More than 50 pencil tank assemblies - some two stories tall - contaminated with chemical and radiological

  6. DOE Cites CH2M Hill Hanford Group for Price-Anderson Violations |

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

    Department of Energy Group for Price-Anderson Violations DOE Cites CH2M Hill Hanford Group for Price-Anderson Violations November 17, 2006 - 9:25am Addthis WASHINGTON, DC - The Department of Energy (DOE) today notified CH2M Hill Hanford Group (CHG) that it will fine the company $82,500 for violations of the Department's nuclear safety requirements. CHG is the prime contractor responsible for managing the storage and retrieval of highly radioactive and hazardous waste at the DOE Hanford Tank

  7. Cyclic Versus Linear Isomers Produced by Reaction of the Methylidyne Radical (CH) with Small Unsaturated Hydrocarbons

    SciTech Connect (OSTI)

    Goulay, Fabien; Trevitt, Adam J.; Meloni, Giovanni; Selby, Talitha M.; Osborn, David L.; Taatjes, Craig A.; Vereecken, Luc; Leone, Stephen R.

    2008-12-05

    The reactions of the methylidyne radical (CH) with ethylene, acetylene, allene, and methylacetylene are studied at room temperature using tunable vacuum ultraviolet (VUV) photoionization and time-resolved mass spectrometry. The CH radicals are prepared by 248 nm multiphoton photolysis of CHBr3 at 298 K and react with the selected hydrocarbon in a helium gas flow. Analysis of photoionization efficiency versus VUV photon wavelength permits isomer-specific detection of the reaction products and allows estimation of the reaction product branching ratios. The reactions proceed by either CH insertion or addition followed by H atom elimination from the intermediate adduct. In the CH + C2H4 reaction the C3H5 intermediate decays by H atom loss to yield 70(+-8)percent allene, 30(+-8)percent methylacetylene and less than 10percent cyclopropene, in agreement with previous RRKM results. In the CH + acetylene reaction, detection of mainly the cyclic C3H2 isomer is contrary to a previous RRKM calculation that predicted linear triplet propargylene to be 90percent of the total H-atom co-products. High-level CBS-APNO quantum calculations and RRKM calculation for the CH + C2H2 reaction presented in this manuscript predict a higher contribution of the cyclic C3H2 (27.0percent) versus triplet propargylene (63.5percent) than these earlier predictions. Extensive calculations on the C3H3 and C3H2D system combined with experimental isotope ratios for the CD + C2H2 reaction indicate that H-atom assisted isomerization in the present experiments is responsible for the discrepancy between the RRKM calculations and the experimental results. Cyclic isomers are also found to represent 30(+-6)percent of the detected products in the case of CH + methylacetylene, together with 33(+-6)percent 1,2,3-butatriene and 37(+-6)percent vinylacetylene. The CH + allene reaction gives 23(+-5)percent 1,2,3-butatriene and 77(+-5)percent vinylacetylene, whereas cyclic isomers are produced below the detection limit in this reaction. The reaction exit channels deduced by comparing the product distributions for the aforementioned reactions are discussed in detail.

  8. Observation of CH4 and other Non-CO2 Green House Gas Emissions from California

    SciTech Connect (OSTI)

    Fischer, Marc L.; Zhao, Chuanfeng; Riley, William J.; Andrews, Arlyn C.

    2009-01-09

    In 2006, California passed the landmark assembly bill AB-32 to reduce California's emissions of greenhouse gases (GHGs) that contribute to global climate change. AB-32 commits California to reduce total GHG emissions to 1990 levels by 2020, a reduction of 25 percent from current levels. To verify that GHG emission reductions are actually taking place, it will be necessary to measure emissions. We describe atmospheric inverse model estimates of GHG emissions obtained from the California Greenhouse Gas Emissions Measurement (CALGEM) project. In collaboration with NOAA, we are measuring the dominant long-lived GHGs at two tall-towers in central California. Here, we present estimates of CH{sub 4} emissions obtained by statistical comparison of measured and predicted atmospheric mixing ratios. The predicted mixing ratios are calculated using spatially resolved a priori CH{sub 4} emissions and surface footprints, that provide a proportional relationship between the surface emissions and the mixing ratio signal at tower locations. The footprints are computed using the Weather Research and Forecast (WRF) coupled to the Stochastic Time-Inverted Lagrangian Transport (STILT) model. Integral to the inverse estimates, we perform a quantitative analysis of errors in atmospheric transport and other factors to provide quantitative uncertainties in estimated emissions. Regressions of modeled and measured mixing ratios suggest that total CH{sub 4} emissions are within 25% of the inventory estimates. A Bayesian source sector analysis obtains posterior scaling factors for CH{sub 4} emissions, indicating that emissions from several of the sources (e.g., landfills, natural gas use, petroleum production, crops, and wetlands) are roughly consistent with inventory estimates, but livestock emissions are significantly higher than the inventory. A Bayesian 'region' analysis is used to identify spatial variations in CH{sub 4} emissions from 13 sub-regions within California. Although, only regions near the tower are significantly constrained by the tower measurements, CH{sub 4} emissions from the south Central Valley appear to be underestimated in a manner consistent with the under-prediction of livestock emissions. Finally, we describe a pseudo-experiment using predicted CH{sub 4} signals to explore the uncertainty reductions that might be obtained if additional measurements were made by a future network of tall-tower stations spread over California. These results show that it should be possible to provide high-accuracy estimates of surface CH{sub 4} emissions for multiple regions as a means to verify future emissions reductions.

  9. CH2M HILL Plateau Remediation Company, NEL-2014-01

    Energy Savers [EERE]

    CFCNCA Sample Pledge Form CFCNCA Sample Pledge Form This file contains a sample pledge form and instructions for completing a paper donation through the CFC. PDF icon CFCNCA Fall 2012 Sample Pledge Form.pdf More Documents & Publications CFCNCA Sample Pledge Form 2012 CFCNCA Catalog of Caring DOE F 3630.1 Rights and Benefits of Reservists Called to Active Duty

    CH2M HILL Plateau Remediation Company CH2M HILL Plateau Remediation Company The Office of Hea1th, Safety and Security's Office of

  10. Voluntary Protection Program Onsite Review, CH2M HILL B&W West Valley LLC,

    Office of Environmental Management (EM)

    West Valley Demonstration Project - October 2013 | Department of Energy B&W West Valley LLC, West Valley Demonstration Project - October 2013 Voluntary Protection Program Onsite Review, CH2M HILL B&W West Valley LLC, West Valley Demonstration Project - October 2013 Octover 24, 2013 Evaluation to determine whether CH2M HILL B&W West Valley LLC, West Valley Demonstration Project is performing at a level deserving DOE-VPP Star recognition. PDF icon Voluntary Protection Program

  11. Sub-picosecond IR study of the reactive intermediate in an alkane C-H bond

    Office of Scientific and Technical Information (OSTI)

    activation reaction by CpRh(CO)2 (Journal Article) | SciTech Connect Sub-picosecond IR study of the reactive intermediate in an alkane C-H bond activation reaction by CpRh(CO)2 Citation Details In-Document Search Title: Sub-picosecond IR study of the reactive intermediate in an alkane C-H bond activation reaction by CpRh(CO)2 No abstract prepared. Authors: Asbury, John B. ; Ghosh, Hirendra N. ; Yeston, Jake S. ; Bergman, Robert G. ; Lian, Tianquan Publication Date: 1998-03-16 OSTI

  12. HA' R$,kAW CH EM I CAL CO,M i=ANY A

    Office of Legacy Management (LM)

    TH Ii ' HA' R,kAW CH EM I CAL CO,M iANY A December 30, 1955 U. S. Atomic Energy Commission Oak Ridge OperationwOfflce Post Office Box "E" Oak Ridge, Tennessee Attention: Mr. T. ...

  13. X-ray Thomson scattering measurements of temperature and density from multi-shocked CH capsules

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

    Fletcher, L. B.; Glenzer, S. H.; Kritcher, A.; Pak, A.; Ma, T.; Doppner, T.; Fortmann, C.; Divol, L.; Landen, O. L.; Vorberger, J.; et al

    2013-05-24

    Proof-of-principle measurements of the electron densities, temperatures, and ionization states of spherically compressed multi-shocked CH (polystyrene) capsules have been achieved using spectrally resolved x-ray Thomson scattering. A total energy of 13.5 kJ incident on target is used to compress a 70 μm thick CH shell above solid-mass density using three coalescing shocks. Separately, a laser-produced zinc He-α x-ray source at 9 keV delayed 200 ps-800 ps after maximum compression is used to probe the plasma in the non-collective scattering regime. The data show that x-ray Thomson scattering enables a complete description of the time-dependent hydrodynamic evolution of shock-compressed CH capsules,more » with a maximum measured density of ρ > 6 g cm–3. Additionally, the results demonstrate that accurate measurements of x-ray scattering from bound-free transitions in the CH plasma demonstrate strong evidence that continuum lowering is the primary ionization mechanism of carbon L-shell electrons.« less

  14. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and...

    Office of Scientific and Technical Information (OSTI)

    Hydrogen for X-group exchange in CH3X, X Cl, Br, I, OMe and NMe2 byMonomeric 1,2,4-(Me3C)3C5H22CeH: Experimental and Computational Support for a Carbenoid Mechanism Citation ...

  15. Turbulence and combustion interaction: High resolution local flame front structure visualization using simultaneous single-shot PLIF imaging of CH, OH, and CH{sub 2}O in a piloted premixed jet flame

    SciTech Connect (OSTI)

    Li, Z.S.; Li, B.; Sun, Z.W.; Alden, M. [Division of Combustion Physics, Lund University, P.O. Box 118, S-221 00 Lund (Sweden); Bai, X.S. [Division of Fluid Mechanics, Lund University, P.O. Box 118, S-221 00 Lund (Sweden)

    2010-06-15

    High resolution planar laser-induced fluorescence (PLIF) was applied to investigate the local flame front structures of turbulent premixed methane/air jet flames in order to reveal details about turbulence and flame interaction. The targeted turbulent flames were generated on a specially designed coaxial jet burner, in which low speed stoichiometric gas mixture was fed through the outer large tube to provide a laminar pilot flame for stabilization of the high speed jet flame issued through the small inner tube. By varying the inner tube flow speed and keeping the mixture composition as that of the outer tube, different flames were obtained covering both the laminar and turbulent flame regimes with different turbulent intensities. Simultaneous CH/CH{sub 2}O, and also OH PLIF images were recorded to characterize the influence of turbulence eddies on the reaction zone structure, with a spatial resolution of about 40 {mu}m and temporal resolution of around 10 ns. Under all experimental conditions, the CH radicals were found to exist only in a thin layer; the CH{sub 2}O were found in the inner flame whereas the OH radicals were seen in the outer flame with the thin CH layer separating the OH and CH{sub 2}O layers. The outer OH layer is thick and it corresponds to the oxidation zone and post-flame zone; the CH{sub 2}O layer is thin in laminar flows; it becomes broad at high speed turbulent flow conditions. This phenomenon was analyzed using chemical kinetic calculations and eddy/flame interaction theory. It appears that under high turbulence intensity conditions, the small eddies in the preheat zone can transport species such as CH{sub 2}O from the reaction zones to the preheat zone. The CH{sub 2}O species are not consumed in the preheat zone due to the absence of H, O, and OH radicals by which CH{sub 2}O is to be oxidized. The CH radicals cannot exist in the preheat zone due to the rapid reactions of this species with O{sub 2} and CO{sub 2} in the inner-layer of the reaction zones. The local PLIF intensities were evaluated using an area integrated PLIF signal. Substantial increase of the CH{sub 2}O signal and decrease of CH signal was observed as the jet velocity increases. These observations raise new challenges to the current flamelet type models. (author)

  16. Location of gap nodes in the organic superconductors {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}Br determined by magnetocalorimetry.

    SciTech Connect (OSTI)

    Malone, L.; Taylor, O. J.; Schlueter, J. A.; Carrington, A.; Materials Science Division; Univ. Bristol

    2010-07-16

    We report specific-heat measurements of the organic superconductors {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br. When the magnetic field is rotated in the highly conducting planes at low temperature (T = 0.4 K), we observe clear oscillations of specific heat which have a strong fourfold component. The observed strong field and temperature dependence of this fourfold component identifies it as originating from nodes in the superconducting energy gap which point along the in-plane crystal axes (d{sub xy} symmetry).

  17. CO2 CH4 flux Air temperature Soil temperature and Soil moisture, Barrow, Alaska 2013 ver. 1

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

    Margaret Torn

    This dataset consists of field measurements of CO2 and CH4 flux, as well as soil properties made during 2013 in Areas A-D of Intensive Site 1 at the Next-Generation Ecosystem Experiments (NGEE) Arctic site near Barrow, Alaska. Included are i) measurements of CO2 and CH4 flux made from June to September (ii) Calculation of corresponding Gross Primary Productivity (GPP) and CH4 exchange (transparent minus opaque) between atmosphere and the ecosystem (ii) Measurements of Los Gatos Research (LGR) chamber air temperature made from June to September (ii) measurements of surface layer depth, type of surface layer, soil temperature and soil moisture from June to September.

  18. CO2 CH4 flux Air temperature Soil temperature and Soil moisture, Barrow, Alaska 2013 ver. 1

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

    Margaret Torn

    2015-01-14

    This dataset consists of field measurements of CO2 and CH4 flux, as well as soil properties made during 2013 in Areas A-D of Intensive Site 1 at the Next-Generation Ecosystem Experiments (NGEE) Arctic site near Barrow, Alaska. Included are i) measurements of CO2 and CH4 flux made from June to September (ii) Calculation of corresponding Gross Primary Productivity (GPP) and CH4 exchange (transparent minus opaque) between atmosphere and the ecosystem (ii) Measurements of Los Gatos Research (LGR) chamber air temperature made from June to September (ii) measurements of surface layer depth, type of surface layer, soil temperature and soil moisture from June to September.

  19. High-resolution spectroscopy of jet-cooled CH{sub 5}{sup +}: Progress

    SciTech Connect (OSTI)

    Savage, C.; Dong, F.; Nesbitt, D. J.

    2015-01-22

    Protonated methane (CH{sub 5}{sup +}) is thought to be a highly abundant molecular ion in interstellar medium, as well as a potentially bright ?wave- mm wave emitter that could serve as a tracer for methane. This paper describes progress and first successful efforts to obtain a high resolution, supersonically cooled spectrum of CH{sub 5}{sup +} in the 2900-3100 cm{sup ?1} region, formed in a slit supersonic discharge at low jet temperatures and with sub-Doppler resolution. Short term precision in frequency measurement (< 5 MHz on an hour time scale) is obtained from a thermally controlled optical transfer cavity servoloop locked onto a frequency stabilized HeNe laser. Long term precision (< 20 MHz day-to-day) due to pressure, temperature and humidity dependent index of refraction effects in the optical transfer cavity is also present and discussed.

  20. The U.S. Department of Energy and contractor CH2M HILL Plateau Remediation

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

    . The U.S. Department of Energy and contractor CH2M HILL Plateau Remediation Company manage the Waste Encapsulation and Storage Facility at the Hanford Site in southeast Washington state. Waste Encapsulation and Storage Facility Background The Waste Encapsulation and Storage Facility (WESF) provides safe and compliant underwater storage for 1,936 highly radioactive capsules containing the elements cesium and strontium. In the 1970s, radioactive isotopes of the chemical elements cesium and

  1. Ch P cage Operations and Regional Office 9800 South Cass Avenue

    Office of Legacy Management (LM)

    artment of Energy Ch P cage Operations and Regional Office 9800 South Cass Avenue Argonne, Illinois 60439 OCT 2 1 1980 Ki.lliam E. Mott, Director Environmental Cinttol Technology Division, KC! SUBJECT I PREHIER MANUFACTURING - SPRINGDALE, PEhVSYLVA?UA A visit to Premier Manufacturing, 644 Garfield, Springdalc, Pennsylvania, was made en October 6, 1980, by Edward J. Jascewsky and Art Whitman, Department of Energy, and Walter R. Smith, Argonne National Laboratory. The group met with Edward

  2. Temperature measurement of an atmospheric pressure arc discharge plasma jet using the diatomic CN (B {sup 2}{sigma}{sup +}-X {sup 2}{sigma}{sup +}, violet system) molecular spectra

    SciTech Connect (OSTI)

    Moon, Se Youn; Kim, D. B.; Gweon, B.; Choe, W.

    2009-03-01

    The CN (B {sup 2}{sigma}{sup +}-X {sup 2}{sigma}{sup +}) molecular emission spectrum is used to measure both the vibrational and rotational temperatures in atmospheric pressure arc jet discharges. The vibrational and rotational temperature effects on the synthetic diatomic molecular spectra were investigated from the (v{sup '},v{sup ''})=(0,0) band to the (5,5) band. The temperatures obtained from the synthetic spectra compared with the experimental result of a low-frequency arc discharge show a vibrational temperature of (4250-5010) K and a rotational temperature of (3760-3980) K for the input power in the range of (80-280) W. As the (0,0) band is isolated from other vibrational transition bands, determination of the rotational temperature is possible based only on the (0,0) band, which simplifies the temperature measurement. From the result, it was found that the CN molecular spectrum can be used as a thermometer for atmospheric pressure plasmas containing carbon and nitrogen.

  3. Communication: Ultraviolet photodissociation dynamics of the simplest Criegee intermediate CH{sub 2}OO

    SciTech Connect (OSTI)

    Lehman, Julia H.; Li, Hongwei; Beames, Joseph M.; Lester, Marsha I.

    2013-10-14

    The velocity and angular distributions of O {sup 1}D photofragments arising from UV excitation of the CH{sub 2}OO intermediate on the B {sup 1}A??X {sup 1}A? transition are characterized using velocity map ion imaging. The anisotropic angular distribution yields the orientation of the transition dipole moment, which reflects the ?*?? character of the electronic transition associated with the COO group. The total kinetic energy release distributions obtained at several photolysis wavelengths provide detail on the internal energy distribution of the formaldehyde cofragments and the dissociation energy of CH{sub 2}OO X {sup 1}A? to O {sup 1}D + H{sub 2}CO X {sup 1}A{sub 1}. A common termination of the total kinetic energy distributions, after accounting for the different excitation energies, gives an upper limit for the CH{sub 2}OO X {sup 1}A? dissociation energy of D{sub 0}? 54 kcal mol{sup ?1}, which is compared with theoretical predictions including high level multi-reference ab initio calculations.

  4. Mode-selective chemistry on metal surfaces: The dissociative chemisorption of CH4 on Pt(111)

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

    Guo, Han; Jackson, Bret

    2016-05-13

    A quantum approach based on an expansion in vibrationally adiabatic eigenstates is used to explore CH4 dissociation on Pt(111). Computed sticking probabilities for molecules in the ground, 1v3 and 2v3, states are in very good agreement with the available experimental data, reproducing the variation in reactivity with collision energy and vibrational state. As was found in similar studies on Ni(100) and Ni(111), exciting the 1v1 symmetric stretch of CH4 is more effective at promoting the dissociative chemisorption of CH4 than exciting the 1v3 antisymmetric stretch. This behavior is explained in terms of symmetry, mode-softening, and nonadiabatic transitions between vibrationally adiabaticmore » states. We find that the efficacies of the bending modes for promoting reaction are reasonably large, and similar to the 1v3 state. The vibrational efficacies for promoting reaction on Ni(111) are larger than for reaction on Pt(111), due to the larger nonadiabatic couplings. As a result, our computed sticking probabilities are in good agreement with results from recent ab initio molecular dynamics and reactive force field studies.« less

  5. Aerobic C-H Acetoxylation of 8-Methylquinoline in PdII-Pyridinecarboxylic Acid Systems: Some Structure-Reactivity Relationships

    SciTech Connect (OSTI)

    Wang, Daoyong; Zavalij, Peter Y.; Vedernikov, Andrei N.

    2013-09-09

    Catalytic oxidative CH acetoxylation of 8-methylquinoline as a model substrate with O2 as oxidant was performed using palladium(II) carboxylate catalysts derived from four different pyridinecarboxylic acids able to form palladium(II) chelates of different size. A comparison of the rates of the substrate CH activation and the O2 activation steps shows that the CH activation step is rate-limiting, whereas the O2 activation occurs at a much faster rate already at 20 C. The chelate ring size and the chelate ring strain of the catalytically active species are proposed to be the key factors affecting the rate of the CH activation.

  6. ch_4

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

    Engineering and Environmental Laboratory (INEEL) ... analyzed in this environ- mental impact statement (EIS). ... The emergency plans also include procedures for ...

  7. ch_10

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

    0 10.0 P P r r epar epar ers ers , , Contributors Contributors , , and Review and Review ers ers 10-1 DOE/EIS-0287 10.1 Preparers and Contributors This chapter lists the individuals who filled primary roles in the preparation of this final environmental impact statement (EIS). The U.S. Department of Energy (DOE) Idaho High-Level Waste & Facilities Disposition Environmental Impact Statement Project Office directed the preparation of the Final EIS in conjunction with the State of Idaho as a

  8. ch_11

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

    0 11.0 Response Response to to P P ublic ublic Comment Comment 11-1 DOE/EIS-0287 11.1 Introduction This chapter provides responses from the U.S. Department of Energy (DOE) and the State of Idaho to public comments on the Draft Idaho High-Level Waste and Facilities Disposition Environmental Impact Statement (HLW & FD EIS) and identifies where those public comments led to changes to the EIS. The State of Idaho, a cooperating agency in the preparation of the EIS, participated in the process of

  9. ch_13

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

    .0 13.0 Index Index 13-1 DOE/EIS-0287 DOE/EIS-0287 13-2 Index A aesthetics - 3-54, 4-18, 4-35, 5-17, 5-18, 5-214, 5-232, 5-233, 9-9, 10-3, 10-7, C.2-4, C.8-13, C.8-32, C.8-46 airborne releases - 4-32, 4-71, 4-72, 5-48, 5-74, 5-87, 5-184, 5-225, C.2-13, C.2-17, C.8-16, C.8-36 aquifer - 2-30, 2-32, 2-33, 4-40, 4-47, 4-48, 4-49, 4-50, 4-51, 4-53, 4-54, 4-55, 4-56, 4-57, 4-72, 4-79, 5-2, 5-20, 5-44, 5-45, 5-107, 5-121, 5-122, 5-161, 5-165, 5-180, 5-212, 5-221, 5-222, 5-225, 5-227, 5-233, 5-234,

  10. ch_2

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

    0 2.0 B B ackgr ackgr ound ound The Idaho National Engineering and Environmental Laboratory (INEEL) cur- rently manages waste associated with the processing of spent nuclear reactor fuel, including high-level waste (HLW). This waste is being managed to reduce the risk to human health and the environment. This Environmental Impact Statement (often referred to as the Idaho HLW & FD EIS or simply "this EIS") describes tech- nologies and methods the U.S. Department of Energy (DOE) is

  11. ch_2

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

    4 Background 2.1.3 CURRENT MISSION The current INEEL mission is to develop, demonstrate, and deploy advanced engineering technology and systems to improve national competitiveness and security, to make the pro- duction and use of energy more efficient, and to improve the quality of the environment. Areas of primary emphasis at INEEL include waste management and waste minimization, environ- mental engineering and restoration, energy effi- ciency, renewable energy, national security and defense,

  12. ch_2

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

    10 Background 2.2 High-Level Waste Overview 2.2.1 HIGH-LEVEL WASTE DESCRIPTION According to Section 2(12) of the Nuclear Waste Policy Act (42 USC 10101), high-level radioac- tive waste means: In July 1999, DOE issued Order 435.1 Radioactive Waste Management. This Order and its associated Manual and Guidance set forth the authorities, responsibilities, and requirements for the management of DOE's inventory of HLW, transuranic waste, and low-level waste. Specific to HLW, DOE uses the Nuclear Waste

  13. ch_3

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

    0 3.0 Alterna Alterna tiv tiv es es 3-1 DOE/EIS-0287 This chapter describes the alternatives for waste processing and facility disposi- tion analyzed in this environmental impact statement (EIS) as well as alter- natives eliminated from detailed analy- sis. As required by the Council on Environmental Quality (CEQ) regula- tions implementing the National Environmental Policy Act (NEPA), a No Action alternative is also included. This chapter identifies the U.S. Department of Energy's (DOE's)

  14. ch_3

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

    13 DOE/EIS-0287 Idaho HLW & FD EIS except the pillar and panel tanks) would be full of mixed transuranic waste in approximately 2017. Other facilities depending on the capacity of the Tank Farm for operation eventually would be shut down due to their inability to discharge liquid waste. Under this alternative, DOE would not meet its commitment to cease use of the Tank Farm by 2012 or to make its mixed HLW road ready by 2035. Facilities required for the No Action Alternative include the bin

  15. ch_3

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

    5 DOE/EIS-0287 Idaho HLW & FD EIS poured into Savannah River Site-type stainless steel canisters. Figure 3-8 illustrates the Early Vitrification Option. Elemental mercury from the offgas scrubbing system would be amalgamated and packaged for disposal as low-level waste. Soluble mercury (less than 260 mg/kg) from the offgas system would be precipitated, evaporated, and grouted for disposal as low-level waste. The major facilities and projects required to implement the Early Vitrification

  16. ch_3

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

    3-34 Alternatives transuranic waste/SBW. The EIS also presents the impacts for a grout facility (see Project P2001 in Appendix C.6) that could be used to treat the waste generated after 2005. For pur- poses of assessing transportation impacts, DOE assumed the grouted waste would be character- ized as remote-handled transuranic waste and transported to the Waste Isolation Pilot Plant for disposal (see Appendix C.5). 3.2 Facility Disposition Alternatives The waste processing alternatives described

  17. ch_3

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

    47 DOE/EIS-0287 Idaho HLW & FD EIS has been provided to the public, committed DOE to restoring the existing contaminated groundwater plume outside the INTEC security fence to meet the current drinking water stan- dard of 4 millirem per year. A performance assessment would be developed for each facility or group of facilities under consideration for disposition, to determine which of the three disposition alternatives would be implemented. The performance assessment results would be used to

  18. ch_4

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

    18 Affected Environment visual range of the Fort Hall Indian Reservation. The Bitterroot, Lemhi, and Lost River mountain ranges are visible to the north and west of INEEL. East Butte and Middle Butte can be seen near the southern boundary, while Circular and Antelope Buttes are visible to the northeast. Smaller volcanic buttes dot the natural landscape of INEEL, providing a striking contrast to the relatively flat ground surface. The viewscape in general consists of terrain dominated by sage-

  19. ch_4

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

    20 Affected Environment 4.6 Geology and Soils This section describes the geological, mineral resources, seismic, and volcanic characteristics of INEEL, INTEC, and surrounding areas. A more detailed description of geology at INEEL can be reviewed in the SNF & INEL EIS, Volume 2, Part A, Section 4.6 (DOE 1995). 4.6.1 GENERAL GEOLOGY INEEL occupies a relatively flat area on the northwestern edge of the Eastern Snake River Plain. Figure 4-4 shows important geological features of the INEEL area.

  20. ch_4

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

    40 Affected Environment playas 15 to 20 miles northeast of INTEC, where the water infiltrates. The water in Birch Creek and the Little Lost River is diverted in summer months for irriga- tion prior to reaching INEEL. During periods of unusually high precipitation or rapid snow melt, water from Birch Creek and the Little Lost River may enter INEEL from the northwest and infil- trate the ground, recharging the underlying aquifer. 4.8.1.2 Local Drainage INTEC is located on an alluvial plain

  1. ch_4

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

    47 DOE/EIS-0287 Idaho HLW & FD EIS 4.8.2 SUBSURFACE WATER Subsurface water at INEEL occurs in the under- lying Snake River Plain Aquifer and the vadose zone (area of unsaturated soil and material above the aquifer). This section describes the regional and local hydrogeology, vadose zone hydrology, perched water, and subsurface water quality. 4.8.2.1 Regional Hydrogeology INEEL overlies the Snake River Plain Aquifer as shown in Figure 4-12. This aquifer is the major source of drinking water

  2. ch_4

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

    58 Affected Environment 4.9.1 PLANT COMMUNITIES AND ASSOCIATIONS INEEL lies within a cool desert ecosystem dom- inated by shrub-steppe vegetation. The area is relatively undisturbed, providing important habi- tat for species native to the region. Vegetation and habitat on INEEL can be grouped into six types: shrub-steppe, juniper woodlands, native grasslands, modified ephemeral playas, lava, and wetland-like areas. Figure 4-16 shows these areas. More than 90 percent of INEEL falls within the

  3. ch_4

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

    71 DOE/EIS-0287 Idaho HLW & FD EIS university research programs and private con- tractors. Ongoing studies by the Centers for Disease Control and Prevention, an agency of the U.S. Department of Health and Human Services, also carefully tracks possible health effects from past activities at INEEL. 4.11.1.1 Radiological Health Risk Very low doses of radiation are not known to cause health effects in humans; however, extrapolation of the dose-response relationship from high doses indicates that

  4. ch_5

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

    0 5.0 E E nvir nvir onmental onmental Consequences Consequences 5-1 DOE/EIS-0287 5.1 Introduction Chapter 5 describes the potential environ- mental consequences of implementing each of the alternatives described in Chapter 3. This Final EIS analyzes the alternatives in the Draft EIS and provides corrections and updates as needed. In addition, it analyzes the State of Idaho's Preferred Alternative, Direct Vitrification, and a new option of the Non-Separations Alternative, the Steam Reforming

  5. ch_5

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

    22 5.2.6 AIR RESOURCES Air pollutant emissions associated with construction and operation of facilities to support the waste processing al- ternatives could affect the air resources in the region of the INEEL. DOE characterized air emission rates and calculated maximum consequences at onsite and offsite locations from projects associated with proposed waste processing alternatives. The assessments include emis- sions from stationary sources (facility stacks); fugitive sources from construction

  6. ch_5

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

    44 Environmental Consequences 5.2.7 WATER RESOURCES This section presents potential water resource impacts from implement- ing the proposed waste processing alternatives described in Chapter 3. Section 5.2.14 dis- cusses potential impacts to INEEL water resources from accidents or unusual natural phe- nomena such as earth- quakes. Appendix C.9 discusses potential long- term impacts to INEEL water resources from facility closure. Because the Minimum INEEL Processing Alternative would involve

  7. ch_5

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

    HLW & FD EIS 5-73 DOE/EIS-0287 tion dose to the nonin- volved worker and maximally exposed offsite individual and the collective dose to the population residing within 50 miles of INTEC. The radiation dose values for the var- ious alternatives were then multiplied by the dose-to-risk conversion factors, which are based on the 1993 Limitations of Exposure to Ionizing Radiation (NCRP 1993). DOE has adopted these risk fac- tors of 0.0005 and 0.0004 latent cancer fatality (LCF) for each

  8. ch_5

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

    25 DOE/EIS-0287 Idaho HLW & FD EIS 5.3 Facility Disposition Impacts Section 5.3 presents a discussion of potential impacts associated with the disposition of exist- ing HLW management facilities at INEEL and disposition of new facilities that would be built in support of the proposed waste processing alternatives. The discussion includes (1) the potential impacts of short-term actions in dispo- sitioning new and existing HLW management facilities, (2) the potential long-term impacts from the

  9. ch_5

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

    45 DOE/EIS-0287 Idaho HLW & FD EIS 5.3.4.2 Existing Facilities Associated with High-Level Waste Management The facilities in this group are those that have historically been used at the INTEC to generate, treat, and store HLW. Because of the number of facilities involved, DOE has grouped them in functional groups for purposes of analysis (see Table 3-3). DOE analyzed the HLW tanks and bin sets for closure under all five disposition sce- narios; however, facilities that support the Tank Farm

  10. ch_5

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

    160 Environmental Consequences Under Clean Closure, radioactive and hazardous constituents would be removed from the site or treated so that residual contamination is no higher than background levels. This could require removal of all buildings, vaults, tanks, transfer piping, and contaminated soil. No post- closure monitoring would be required because potential sources of contamination would no longer be present. Unrestricted industrial use of clean-closed facilities and sites will be permissi-

  11. ch_6

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

    0 6.0 Sta Sta tutes tutes , , Regula Regula tions tions , , Consulta Consulta tions tions , , and Other and Other Requir Requir ements ements 6-1 DOE/EIS-0287 This chapter discusses the consultations and coordination the U.S. Department of Energy (DOE) has had with various agen- cies during the preparation of this Environmental Impact Statement (EIS). This chapter also analyzes the complex regulatory issues that arise when consider- ing the various alternatives discussed pre- viously. When

  12. ch_7

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

    0 7.0 Glossar Glossar y y 7-1 DOE/EIS-0287 Terms in this glossary are defined based on the context in which they are to be used in this Environmental Impact Statement (EIS). - New Information - DOE/EIS-0287 7-2 Glossary 100-year flood A flood that occurs, on average, every 100 years (equates to a 1 percent probability of occurring in any given year). 500-year flood A flood that occurs, on average, every 500 years (equates to a 0.2 percent probability of occurring in any given year). accident An

  13. ch_8

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

    .0 8.0 Contents of Contents of Appendices Appendices 8-1 DOE/EIS-0287 This chapter provides the contents of the appendices supporting this EIS. The appendices contain technical information supporting the analysis in this EIS, and scanned comment response documents received by DOE during the public com- ment period. The appendices are pub- lished separately and are available on request. - New Information - DOE/EIS-0287 8-2 Contents of Appendices TABLE OF CONTENTS Section Appendix A Site

  14. ch_9

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

    .0 9.0 Re Re f f er er ences ences 9-1 DOE/EIS-0287 DOE/EIS-0287 9-2 References Chapter 1 DOE (U.S. Department of Energy), 1999, Record of Decision Idaho Nuclear Technology and Engineering Center Operable Unit 3-13, Idaho National Engineering and Environmental Laboratory, Idaho Falls, Idaho, DOE/ID-10660, Idaho Operations Office, Idaho Falls, Idaho, October. Kelly, K. B., 1999, State of Idaho, Office of Attorney General, Boise, Idaho, letter to B. Bowhan, U.S. Department of Energy, Idaho

  15. ch_9

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

  16. ch_9

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

    COVER SHEET Responsible Agency: Lead Federal Agency: U.S. Department of Energy (DOE) Cooperating Agency: The State of Idaho Title: Contact: For additional information on this EIS and the tribal, agency and public involvement process con- ducted in conjunction with its preparation, write or call: This Final EIS is composed of a Summary, Chapters 1 through 13, and appendices. Copies of the EIS or appendices may be requested from Richard Kimmel at the address, phone number, or email address shown

  17. ch_12

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

    ... Louis M. Boyle J. and L. Properties, Inc. Ms. Karen Bradley Ms. Joy K. Brandt Lander ... D. L. Evans Bank Mr. Michael Fellows Montgomery Watson Mr. Alberto Ferreli ANPA Mr. Mark ...

  18. ch_4

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

    II, when the U.S. Navy used what is now the Central Facilities Area to test-fire naval guns. INEEL lands were also used as a bombing range by the U.S. Army Air Corps during the...

  19. ch_1

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

    ... The Nuclear Waste Policy Act of 1982, as amended, determined that a geological repository ... obtain- ing representative con- stituent samples from the large volumes of mixed ...

  20. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

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

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Two of the major challenges for humanity in the next 20 years are the shrinking availability of fossil fuels and the global warming and potential climate changes that result from their ever-increasing use. One possible solution to these problems is to use an energy carrier such as hydrogen, and ways to produce and store hydrogen in electric power plants and vehicles is a major research focus for materials scientists and

  1. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

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

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Two of the major challenges for humanity in the next 20 years are the shrinking availability of fossil fuels and the global warming and potential climate changes that result from their ever-increasing use. One possible solution to these problems is to use an energy carrier such as hydrogen, and ways to produce and store hydrogen in electric power plants and vehicles is a major research focus for materials scientists and

  2. Microsoft Word - Ce-CH3X ms-revised.doc

    Office of Scientific and Technical Information (OSTI)

    
 1
 Hydrogen for X-group exchange in CH 3 X, X = Cl, Br, I, OMe and NMe 2 by Monomeric [1,2,4-(Me 3 C) 3 C 5 H 2 ] 2 CeH: Experimental and Computational Support for a Carbenoid Mechanism Evan L. Werkema a , Richard A. Andersen* a , Ahmed Yahia b , Laurent Maron* b and Odile Eisenstein* c a) Department of Chemistry, University of California, Berkeley, California 94720- 1460, b) Université de Toulouse, INSA, UPS, LPCNO, 135 avenue de Rangueil, 31077 Toulouse, France, and CNRS, 31077

  3. THE CHANDRA ACIS SURVEY OF M33 (ChASeM33): THE FINAL SOURCE CATALOG

    SciTech Connect (OSTI)

    Tuellmann, R.; Gaetz, T. J.; Plucinsky, P. P.; Challis, P.; Edgar, R. J.; Kirshner, R. P.; Kuntz, K. D.; Blair, W. P.; Williams, B. F.; Pietsch, W.; Haberl, F.; Long, K. S.; Sasaki, M.; Winkler, P. F.; Pannuti, T. G.; Helfand, D. J.; Hughes, J. P.; Mazeh, T.; Shporer, A.

    2011-04-01

    This study presents the final source catalog of the Chandra ACIS Survey of M33 (ChASeM33). With a total exposure time of 1.4 Ms, ChASeM33 covers {approx}70% of the D{sub 25} isophote (R {approx} 4.0 kpc) of M33 and provides the deepest, most complete, and detailed look at a spiral galaxy in X-rays. The source catalog includes 662 sources, reaches a limiting unabsorbed luminosity of {approx}2.4x10{sup 34} erg s{sup -1} in the 0.35-8.0 keV energy band, and contains source positions, source net counts, fluxes and significances in several energy bands, and information on source variability. The analysis challenges posed by ChASeM33 and the techniques adopted to address these challenges are discussed. To constrain the nature of the detected X-ray source, hardness ratios were constructed and spectra were fit for 254 sources, follow-up MMT spectra of 116 sources were acquired, and cross-correlations with previous X-ray catalogs and other multi-wavelength data were generated. Based on this effort, 183 of the 662 ChASeM33 sources could be identified. Finally, the luminosity function (LF) for the detected point sources as well as the one for the X-ray binaries (XRBs) in M33 is presented. The LFs in the soft band (0.5-2.0 keV) and the hard band (2.0-8.0 keV) have a limiting luminosity at the 90% completeness limit of 4.0 x 10{sup 34} erg s{sup -1} and 1.6 x 10{sup 35} erg s{sup -1}(for D = 817 kpc), respectively, which is significantly lower than what was reported by previous XRB population studies in galaxies more distant than M33. The resulting distribution is consistent with a dominant population of high-mass XRBs as would be expected for M33.

  4. Protons acceleration in thin CH foils by ultra-intense femtosecond laser pulses

    SciTech Connect (OSTI)

    Kosarev, I. N.

    2015-03-15

    Interaction of femtosecond laser pulses with the intensities 10{sup 21}, 10{sup 22 }W/cm{sup 2} with CH plastic foils is studied in the framework of kinetic theory of laser plasma based on the construction of propagators (in classical limit) for electron and ion distribution functions in plasmas. The calculations have been performed for real densities and charges of plasma ions. Protons are accelerated both in the direction of laser pulse (up to 1 GeV) and in the opposite direction (more than 5 GeV). The mechanisms of forward acceleration are different for various intensities.

  5. Joint DOE-CH2M HILL News Release For Immediate Release:

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

    For Immediate Release: Media Contact: August 12, 2014 Destry Henderson, CH2M HILL, (509) 376-8644, destry_j_henderson@rl.gov Geoff Tyree, DOE, (509) 308-4287, geoffrey.tyree@rl.doe.gov Contractor removes more than 650 pounds of contamination from Hanford groundwater Energy Department annual goal met 4 months ahead of schedule Note: Photos are available on the Hanford Site website: http://go.usa.gov/PARP RICHLAND, Wash. - For a second year in a row and four months ahead of schedule, the U.S.

  6. Joint DOE-CH2M HILL News Release Media Contact: For Immediate Release:

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

    Media Contact: For Immediate Release: Destry Henderson, CH2M HILL, (509) 376-8644, September 10, 2014 destry_j_henderson@rl.gov Geoff Tyree, DOE, (509)376-4171, geoffrey.tyree@rl.doe.gov WORKERS BEGIN CLEANING OUT HANFORD'S HISTORIC MCCLUSKEY ROOM Safely cleaning out room is key step toward Plutonium Finishing Plant demolition RICHLAND, Wash. - Workers have entered one of the most hazardous rooms at the Hanford Site in Washington state to begin final cleanup of a room that became known to

  7. The Radiative Transfer Of CH{sub 4}-N{sub 2} Plasma Arc

    SciTech Connect (OSTI)

    Benallal, R.; Liani, B.

    2008-09-23

    Any physical modelling of a circuit-breaker arc therefore requires an understanding of the radiated energy which is taken into account in the form of a net coefficient. The evaluation of the net emission coefficient is performed by the knowledge of the chemical plasma composition and the resolution of the radiative transfer equation. In this paper, the total radiation which escapes from a CH{sub 4}-N{sub 2} plasma is calculated in the temperature range between 5000 and 30000K on the assumption of a local thermodynamic equilibrium and we have studied the nitrogen effect in the hydrocarbon plasmas.

  8. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

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

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Two of the major challenges for humanity in the next 20 years are the shrinking availability of fossil fuels and the global warming and potential climate changes that result from their ever-increasing use. One possible solution to these problems is to use an energy carrier such as hydrogen, and ways to produce and store hydrogen in electric power plants and vehicles is a major research focus for materials scientists and

  9. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

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

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Two of the major challenges for humanity in the next 20 years are the shrinking availability of fossil fuels and the global warming and potential climate changes that result from their ever-increasing use. One possible solution to these problems is to use an energy carrier such as hydrogen, and ways to produce and store hydrogen in electric power plants and vehicles is a major research focus for materials scientists and

  10. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

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

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Two of the major challenges for humanity in the next 20 years are the shrinking availability of fossil fuels and the global warming and potential climate changes that result from their ever-increasing use. One possible solution to these problems is to use an energy carrier such as hydrogen, and ways to produce and store hydrogen in electric power plants and vehicles is a major research focus for materials scientists and

  11. Contract No. DE-AC02-07CH11358 Contract Modification No. 0192

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

    Contract Modification No. 0192 Section J Appendix H ATTACHMENT J.8 APPENDIX H SMALL BUSINESS SUBCONTRACTING PLAN Applicable to the Operation of AMES Laboratory Contract No. DE-AC02-07CH11358 'I'Hv. Ames Laboratory CtNrlng M*t*rl*l* & En*rgy So/utlotJI U ~ S, 0 £ J 1 A HT.M!NT C H' BNE UGY 2016 Subcontracting Plan Contractor: Ames Laboratory atlowa State Univers'ity (in eSRS a fowa State Equities Corporation) Address: 224 TASF, Ames IA 50011-3020 Solicitation or Contract Number: DE

  12. Contract No. DE-AC02-07CH11358 Section E Contract Modification No. 133

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

    E Contract Modification No. 133 i PART I SECTION E INSPECTION AND ACCEPTANCE PAGE NO. E.1 - FAR 52.246-9 - INSPECTION OF RESEARCH AND DEVELOPMENT (SHORT FORM) (APR 1984) E-1 E.2 - CERTIFICATION E-1 Contract No. DE-AC02-07CH11358 Section E Contract Modification No.133 E-1 PART I SECTION E - INSPECTION AND ACCEPTANCE E.1 - FAR 52.246-9 - INSPECTION OF RESEARCH AND DEVELOPMENT (SHORT FORM) (APR 1984) The Government has the right to inspect and evaluate the work performed or being performed under

  13. Ed Jascevsky Safety Division ChIcago Operations Office MIT CONTFACT INFCE"ATION

    Office of Legacy Management (LM)

    ;/:4,4 (; . 1.; e octo: ' J : 18, 1976 Ed Jascevsky Safety Division ChIcago Operations Office MIT CONTFACT INFCE"ATION During the discussions on October 8, 1976, you iquired about information relative to work done by MIT as background infomation for survey planning. The enclosed information is parephrased frorc an unpublished history of program work carried out by the Process Eevclopncnt Group of the Dl.ti,si.on of Raw Katerids, I believe this work was done under contract nuder AT(30-1)956.

  14. Contract No. DE-AC02-09CH11466 Section F

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

    Modification No. 0164 Contract No. DE-AC02-09CH11466 Section F i PART I SECTION F DELIVERIES OR PERFORMANCE TABLE OF CONTENTS CLAUSE NO. TITLE OF CLAUSE F.1 PERIOD OF PERFORMANCE (Revised by Prime Contract Modification 041 - 07/13/2010; 0137 - 10/28/2013; 0164 - 08/07/2014) F.2 AWARD TERM INCENTIVE (SPECIAL) F.3 FAR 52.242-15 - STOP WORK ORDER (AUG 1989) ALTERNATE I (APR 1984) F.4 STOP WORK AND SHUTDOWN AUTHORITY F.5 PRINCIPAL PLACE OF PERFORMANCE Modification No. 0164 Contract No.

  15. CO2 and CH4 Fluxes across Polygon Geomorphic Types, Barrow, Alaska, 2006-2010

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

    Tweedie,Craig; Lara, Mark

    Carbon flux data are reported as Net Ecosystem Exchange (NEE), Gross Ecosystem Exchange (GEE), Ecosystem Respiration (ER), and Methane (CH4) flux. Measurements were made at 82 plots across various polygon geomorphic classes at research sites on the Barrow Environmental Observatory (BEO), the Biocomplexity Experiment site on the BEO, and the International Biological Program (IBP) site a little west of the BEO. This product is a compilation of data from 27 plots as presented in Lara et al. (2012), data from six plots presented in Olivas et al. (2010); and from 49 plots described in (Lara et al. 2014). Measurements were made during the peak of the growing seasons during 2006 to 2010. At each of the measurement plots (except Olivas et al., 2010) four different thicknesses of shade cloth were used to generate CO2 light response curves. Light response curves were used to normalize photosynthetically active radiation that is diurnally variable to a peak growing season average ~400 umolm-2sec-1. At the Olivas et al. (2010) plots, diurnal patterns were characterized by repeated sampling. CO2 measurements were made using a closed-chamber photosynthesis system and CH4 measurements were made using a photo-acoustic multi-gas analyzer. In addition, plot-level measurements for thaw depth (TD), water table depth (WTD), leaf area index (LAI), and normalized difference vegetation index (NDVI) are summarized by geomorphic polygon type.

  16. CO2 and CH4 Fluxes across Polygon Geomorphic Types, Barrow, Alaska, 2006-2010

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

    Tweedie,Craig; Lara, Mark

    2014-09-17

    Carbon flux data are reported as Net Ecosystem Exchange (NEE), Gross Ecosystem Exchange (GEE), Ecosystem Respiration (ER), and Methane (CH4) flux. Measurements were made at 82 plots across various polygon geomorphic classes at research sites on the Barrow Environmental Observatory (BEO), the Biocomplexity Experiment site on the BEO, and the International Biological Program (IBP) site a little west of the BEO. This product is a compilation of data from 27 plots as presented in Lara et al. (2012), data from six plots presented in Olivas et al. (2010); and from 49 plots described in (Lara et al. 2014). Measurements were made during the peak of the growing seasons during 2006 to 2010. At each of the measurement plots (except Olivas et al., 2010) four different thicknesses of shade cloth were used to generate CO2 light response curves. Light response curves were used to normalize photosynthetically active radiation that is diurnally variable to a peak growing season average ~400 umolm-2sec-1. At the Olivas et al. (2010) plots, diurnal patterns were characterized by repeated sampling. CO2 measurements were made using a closed-chamber photosynthesis system and CH4 measurements were made using a photo-acoustic multi-gas analyzer. In addition, plot-level measurements for thaw depth (TD), water table depth (WTD), leaf area index (LAI), and normalized difference vegetation index (NDVI) are summarized by geomorphic polygon type.

  17. Cooperative, Multicentered CH/ Interaction-Controlled Supramolecular Self-Assembly Processes

    SciTech Connect (OSTI)

    Li, Qing; Han, Chengbo; Horton, Scott R; Fuentes-Cabrera, Miguel A; Sumpter, Bobby G; Lu, Wenchang; Bernholc, J.; Maksymovych, Petro; Pan, Minghu

    2012-01-01

    Supramolecular self-assembly on well-defined surfaces provides access to a multitude of nanoscale architectures, including clusters of distinct symmetry and size. The driving forces underlying supramolecular structures generally involve both graphoepitaxy and weak directional nonconvalent interactions. Here we show that functionalizing a benzene molecule with an ethyne group introduces attractive interactions in a 2D geometry, which would otherwise be dominated by intermolecular repulsion. Furthermore, the attractive interactions enable supramolecular self-assembly, wherein a subtle balance between very weak CH/{pi} bonding and molecule-surface interactions produces a well-defined 'magic' dimension and chirality of supramolecular clusters. The nature of the process is corroborated by extensive scanning tunneling microscopy/spectroscopy (STM/S) measurements and ab initio calculations, which emphasize the cooperative, multicenter characters of the CH/{pi} interaction. This work points out new possibilities for chemical functionalization of {pi}-conjugated hydrocarbon molecules that may allow for the rational design of supramolecular clusters with a desired shape and size.

  18. Class I methanol (CH{sub 3}OH) maser conditions near supernova remnants

    SciTech Connect (OSTI)

    McEwen, Bridget C.; Pihlstrm, Ylva M.; Sjouwerman, Lornt O.

    2014-10-01

    We present results from calculations of the physical conditions necessary for the occurrence of 36.169 (4{sub 1}-3{sub 0} E), 44.070 (7{sub 0}-6{sub 1} A {sup +}), 84.521 (5{sub 1}-4{sub 0} E), and 95.169 (8{sub 0}-7{sub 1} A {sup +}) GHz methanol (CH{sub 3}OH) maser emission lines near supernova remnants (SNRs), using the MOLPOP-CEP program. The calculations show that given a sufficient methanol abundance, methanol maser emission arises over a wide range of densities and temperatures, with optimal conditions at n ? 10{sup 4}-10{sup 6} cm{sup 3} and T > 60 K. The 36 GHz and 44 GHz transitions display more significant maser optical depths compared to the 84 GHz and 95 GHz transitions over the majority of physical conditions. It is also shown that line ratios are an important and applicable probe of the gas conditions. The line ratio changes are largely a result of the E-type transitions becoming quenched faster at increasing densities. The modeling results are discussed using recent observations of CH{sub 3}OH and hydroxyl (OH) masers near the SNRs G1.40.1, W28, and Sgr A East.

  19. Memorandum, CH2M HG Idaho, LLC, Request for Variance to Title 10 Code of Federal Regulations part 851, "Worker Safety and Health"

    Broader source: Energy.gov [DOE]

    CH2M HG Idaho, LLC, Request for Variance to Title 10 Code of Federal Regulations part 851, "Worker Safety and Health"

  20. Memorandum CH2M WG Idaho, LLC, Request for Variance to Title 10, Code of Federal Regulations Part 851, "Worker Safety and Health Program"

    Broader source: Energy.gov [DOE]

    Memorandum CH2M WG Idaho, LLC, Request for Variance to Title 10, Code of Federal Regulations Part 851, "Worker Safety and Health Program"

  1. Iron(IV)hydroxide pKa and the Role of Thiolate Ligation in C-H Bond

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

    Activation by Cytochrome P450 | Stanford Synchrotron Radiation Lightsource Iron(IV)hydroxide pKa and the Role of Thiolate Ligation in C-H Bond Activation by Cytochrome P450 Saturday, May 31, 2014 Cytochrome P450s (P450s) are a family of monooxygenase enzymes that are nearly ubiquitous in nature. P450s are often described as biological blowtorches due to their incredible oxidizing power:1 They can hydroxylate C-H bonds of about 98-100 kcal/mol. P450s are responsible for the phase I metabolism

  2. Site Office Contracting Officer E-mail address Ames Site Office Jackie York Jacquelyn.york@ch.doe.gov

    National Nuclear Security Administration (NNSA)

    Site Office Contracting Officer E-mail address Ames Site Office Jackie York Jacquelyn.york@ch.doe.gov Argonne Site Office Jacquelyn York Jacquelyn.york@ch.doe.gov Brookhaven Site Office Evelyn Landini Jennifer Hartmann elandini@bnl.gov jhartmann@bnl.gov Idaho Site Office Paul Allen allenph@id.doe.gov Kansas City Site Office Ralph Tennant rtennant@kcp.gov Lawrence Livermore Site Office Homer Williamson homer.williamson@nnsa.doe.gov Los Alamos Site Office Barbara Romero Robert M. Poole

  3. CO2 and CH4 Surface Flux, Soil Profile Concentrations, and Stable Isotope Composition, Barrow, Alaska, 2012-2013

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

    Curtis, J.B.; Vaughn, L.S.; Torn, M.S.; Conrad, M.S.; Chafe, O.; Bill, M.

    2015-12-31

    In August-October 2012 and June-October 2013, co-located measurements were made of surface CH4 and CO2 flux, soil pore space concentrations and stable isotope compositions of CH4 and CO2, and subsurface temperature and soil moisture. Measurements were made in intensive study site 1 areas A, B, and C, and from the site 0 and AB transects, from high-centered, flat-centered, and low-centered polygons, from the center, edge, and trough of each polygon.

  4. Contract No. DE-AC02-07CH11358 Section J Appendix G Contract Modification No. 0183

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

    Section J Appendix G Contract Modification No. 0183 ATTACHMENT J.7 Contract No. DE-AC02-07CH11358 J-G-1 APPENDIX G PURCHASING SYSTEM REQUIREMENTS Applicable to the Operation of AMES Laboratory Contract No. DE-AC02-07CH11358 Section J Appendix G Contract Modification No. 0183 Appendix G Purchasing System Requirements This Appendix and Clause 1.154, "Contractor Purchasing System," sets forth DOE requirements applicable to the Purchasing System established under the Contract for the

  5. Final Report for DOE Project DE-FC07-99CH11010

    SciTech Connect (OSTI)

    Jed Randall; Robert Kean

    2003-10-22

    Department of Energy award number DE-FC07-99CH11010, Enhanced Utilization of Corn Based Biomaterials, supported a technology development program sponsored by Cargill Dow LLC from September 30, 1999 through June 30, 2003. The work involved fundamental scientific studies on poly lactic acid (PLA), a new environmentally benign plastic material from renewable resources. DOE funds supported academic research at the Colorado School of Mines and the National Renewable Energy Laboratory (NREL), and industry cost share was directed towards applied research into new product development utilizing the fundamental information generated by the academic partners. Under the arrangement of the grant, the fundamental information is published so that other companies can utilize it in evaluating the applicability of PLA in their own products. The overall project objective is to increase the utilization of PLA, a renewable resource based plastic, currently produced from fermented corn sugar.

  6. ChIP-seq Mapping of Distant-Acting Enhancers and Their In Vivo Activities

    SciTech Connect (OSTI)

    Visel, Axel; Pennacchio, Len A.

    2011-06-01

    The genomic location and function of most distant-acting transcriptional enhancers in the human genome remains unknown We performed ChIP-seq for various transcriptional coactivator proteins (such as p300) directly from different embryonic mouse tissues, identifying thousands of binding sitesTransgenic mouse experiments show that p300 and other co-activator peaks are highly predictive of genomic location AND tissue-specific activity patterns of distant-acting enhancersMost enhancers are active only in one or very few tissues Genomic location of tissue-specific p300 peaks correlates with tissue-specific expression of nearby genes Most binding sites are conserved, but the global degree of conservation varies between tissues

  7. Detection of class I methanol (CH{sub 3}OH) maser candidates in supernova remnants

    SciTech Connect (OSTI)

    Pihlstrm, Y. M.; Mesler, R. A.; McEwen, B. C.; Sjouwerman, L. O.; Frail, D. A.; Claussen, M. J.

    2014-04-01

    We have used the Karl G. Jansky Very Large Array to search for 36 GHz and 44 GHz methanol (CH{sub 3}OH) lines in a sample of 21 Galactic supernova remnants (SNRs). Mainly the regions of the SNRs with 1720 MHz OH masers were observed. Despite the limited spatial extent covered in our search, methanol masers were detected in both G1.40.1 and W28. Additional masers were found in Sgr A East. More than 40 masers were found in G1.40.1, which we deduce are due to interactions between the SNR and at least two separate molecular clouds. The six masers in W28 are associated with the molecular cloud that is also associated with the OH maser excitation. We discuss the possibility that the methanol maser may be more numerous in SNRs than the OH maser, but harder to detect due to observational constraints.

  8. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    SciTech Connect (OSTI)

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    Once considered the 'holy grail' of organometallic chemistry, synthetically useful reactions employing C-H bond activation have increasingly been developed and applied to natural product and drug synthesis over the past decade. The ubiquity and relative low cost of hydrocarbons makes C-H bond functionalization an attractive alternative to classical C-C bond forming reactions such as cross-coupling, which require organohalides and organometallic reagents. In addition to providing an atom economical alternative to standard cross - coupling strategies, C-H bond functionalization also reduces the production of toxic by-products, thereby contributing to the growing field of reactions with decreased environmental impact. In the area of C-C bond forming reactions that proceed via a C-H activation mechanism, rhodium catalysts stand out for their functional group tolerance and wide range of synthetic utility. Over the course of the last decade, many Rh-catalyzed methods for heteroatom-directed C-H bond functionalization have been reported and will be the focus of this review. Material appearing in the literature prior to 2001 has been reviewed previously and will only be introduced as background when necessary. The synthesis of complex molecules from relatively simple precursors has long been a goal for many organic chemists. The ability to selectively functionalize a molecule with minimal pre-activation can streamline syntheses and expand the opportunities to explore the utility of complex molecules in areas ranging from the pharmaceutical industry to materials science. Indeed, the issue of selectivity is paramount in the development of all C-H bond functionalization methods. Several groups have developed elegant approaches towards achieving selectivity in molecules that possess many sterically and electronically similar C-H bonds. Many of these approaches are discussed in detail in the accompanying articles in this special issue of Chemical Reviews. One approach that has seen widespread success involves the use of a proximal heteroatom that serves as a directing group for the selective functionalization of a specific C-H bond. In a survey of examples of heteroatom-directed Rh catalysis, two mechanistically distinct reaction pathways are revealed. In one case, the heteroatom acts as a chelator to bind the Rh catalyst, facilitating reactivity at a proximal site. In this case, the formation of a five-membered metallacycle provides a favorable driving force in inducing reactivity at the desired location. In the other case, the heteroatom initially coordinates the Rh catalyst and then acts to stabilize the formation of a metal-carbon bond at a proximal site. A true test of the utility of a synthetic method is in its application to the synthesis of natural products or complex molecules. Several groups have demonstrated the applicability of C-H bond functionalization reactions towards complex molecule synthesis. Target-oriented synthesis provides a platform to test the effectiveness of a method in unique chemical and steric environments. In this respect, Rh-catalyzed methods for C-H bond functionalization stand out, with several syntheses being described in the literature that utilize C-H bond functionalization in a key step. These syntheses are highlighted following the discussion of the method they employ.

  9. Near-infrared spectroscopy of CH{sub 2} by frequency modulated diode laser absorption

    SciTech Connect (OSTI)

    Marr, A.J.; Sears, T.J.; Chang, B.

    1998-09-01

    A diode laser spectrometer incorporating a multi-pass Herriott type cell and frequency modulation detection was used to record a previously unaccessed region of the near-infrared singlet{l_arrow}singlet absorption spectrum of methylene between 10thinsp000 cm{sup {minus}1} and 10thinsp600 cm{sup {minus}1}. With this spectrometer, signal-to-noise ratios close to the quantum noise limit have been attained. Identification of rovibronic transitions to five previously unobserved levels, K=1 {tilde a}(0,9,0), K=2thinsp{tilde b}(0,1,0), K=2thinsp{tilde a}(1,6,0), K=3thinsp{tilde b}(0,1,0) and K=3thinsp{tilde a}(0,10,0), was made. Despite the fact that the present spectra access levels within approximately 1300 cm{sup {minus}1} of the barrier to linearity, the spectrum is dense and perturbed, characteristics in common with spectra recorded in many previous studies at shorter wavelengths. Recent spectroscopic observations of halomethylenes [J. Mol. Spectrosc. {bold 188}, 68 (1998)] had suggested that the CH{sub 2} spectrum might become simpler at longer wavelengths, but this was not evident in the observed spectra. The mixed nature of the singlet states is evidenced by the assignment of rovibronic transitions to levels containing primarily {tilde a}thinsp{sup 1}A{sub 1} state character. The new measurements provide a stringent test for modern theoretical models for CH{sub 2} and will enable refinement of the electronic potential surfaces. {copyright} {ital 1998 American Institute of Physics.}

  10. DISCOVERY OF THE METHOXY RADICAL, CH{sub 3}O, TOWARD B1: DUST GRAIN AND GAS-PHASE CHEMISTRY IN COLD DARK CLOUDS

    SciTech Connect (OSTI)

    Cernicharo, J.; Jimenez-Escobar, A.; Munoz Caro, G. M.; Marcelino, N.; Roueff, E.; Gerin, M.

    2012-11-10

    We report on the discovery of the methoxy radical (CH{sub 3}O) toward the cold and dense core B1-b based on the observation, with the IRAM 30 m radio telescope, of several lines at 3 and 2 mm wavelengths. Besides this new molecular species we also report on the detection of many lines arising from methyl mercaptan (CH{sub 3}SH), formic acid (HCOOH), propynal (HCCCHO), acetaldehyde (CH{sub 3}CHO), dimethyl ether (CH{sub 3}OCH{sub 3}), methyl formate (CH{sub 3}OCOH), and the formyl radical (HCO). The column density of all these species is {approx_equal}10{sup 12} cm{sup -2}, corresponding to abundances of {approx_equal}10{sup -11}. The similarity in abundances for all these species strongly suggest that they are formed on the surface of dust grains and ejected to the gas phase through non-thermal desorption processes, most likely cosmic rays or secondary photons. Nevertheless, laboratory experiments indicate that the CH{sub 3}O isomer released to the gas phase is CH{sub 2}OH rather than the methoxy one. Possible gas-phase formation routes to CH{sub 3}O from OH and methanol are discussed.

  11. Communication: Spectroscopic characterization of an alkyl substituted Criegee intermediate syn-CH{sub 3}CHOO through pure rotational transitions

    SciTech Connect (OSTI)

    Nakajima, Masakazu; Endo, Yasuki

    2014-01-07

    An alkyl-substituted Criegee intermediate syn-CH{sub 3}CHOO was detected in the gas phase through Fourier-transform microwave spectroscopy. Observed pure rotational transitions show a small splitting corresponding to the A/E components due to the threefold methyl internal rotation. The rotational constants and the barrier height of the hindered methyl rotation were determined to be A = 17?586.5295(15) MHz, B = 7133.4799(41) MHz, C = 5229.1704(40) MHz, and V{sub 3} = 837.1(17)cm{sup ?1}. High-level ab initio calculations which reproduce the experimentally determined values well indicate that the in-plane CH bond in the methyl moiety is trans to the CO bond, and other two protons are directed to the terminal oxygen atom for the most stable structure of syn-CH{sub 3}CHOO. The torsional barrier of the methyl top is fairly large in syn-CH{sub 3}CHOO, implying a significant interaction between the terminal oxygen and the protons of the methyl moiety, which may be responsible for the high production yields of the OH radical from energized alkyl-substituted Criegee intermediates.

  12. Physical and chemical properties of dust produced in a N{sub 2}-CH{sub 4} RF plasma discharge

    SciTech Connect (OSTI)

    Ouni, F.; Alcouffe, G.; Szopa, C.; Carrasco, N.; Cernogora, G.; Adande, G.; Thissen, R.; Quirico, E.; Brissaud, O.; Schmitz-Afonso, I.; Laprevote, O.

    2008-09-07

    Titan's atmospheric chemistry is simulated using a Capacitively Coupled Plasma discharge produced in a N{sub 2}-CH{sub 4} mixture. The produced solid particles are analysed ex-situ. Chemical properties are deduced from: elemental composition, FTIR and LTQ-Orbitrap mass spectrometer. Optical properties are deduced from reflectivity in visible and IR range.

  13. Accurate quantum dynamics calculations of vibrational spectrum of dideuteromethane CH{sub 2}D{sub 2}

    SciTech Connect (OSTI)

    Yu, Hua-Gen

    2015-05-21

    We report a rigorous variational study of the infrared (IR) vibrational spectra of both CH{sub 2}D{sub 2} and {sup 13}CH{sub 2}D{sub 2} isotopomers using an exact molecular Hamiltonian. Calculations are carried out using a recently developed multi-layer Lanczos algorithm based on the accurate refined Wang and Carrington potential energy surface of methane and the low-order truncated ab initio dipole moment surface of Yurchenko et al. [J. Mol. Spectrosc. 291, 69 (2013)]. All well converged 357 vibrational energy levels up to 6100 cm{sup ?1} of CH{sub 2}D{sub 2} are obtained, together with a comparison to previous calculations and 91 experimental bands available. The calculated frequencies are in excellent agreement with the experimental results and give a root-mean-square error of 0.67?cm{sup ?1}. In particular, we also compute the transition intensities from the vibrational ground state for both isotopomers. Based on the theoretical results, 20 experimental bands are suggested to be re-assigned. Surprisingly, an anomalous C isotopic effect is discovered in the n?{sub 5} modes of CH{sub 2}D{sub 2}. The predicted IR spectra provide useful information for understanding those unknown bands.

  14. Effects of CO addition on the characteristics of laminar premixed CH{sub 4}/air opposed-jet flames

    SciTech Connect (OSTI)

    Wu, C.-Y. [Advanced Engine Research Center, Kao Yuan University, Kaohsiung County, 821 (China); Chao, Y.-C.; Chen, C.-P.; Ho, C.-T. [Department of Aeronautics and Astronautics, National Cheng Kung University, Tainan, 701 (China); Cheng, T.S. [Department of Mechanical Engineering, Chung Hua University, Hsinchu, 300 (China)

    2009-02-15

    The effects of CO addition on the characteristics of premixed CH{sub 4}/air opposed-jet flames are investigated experimentally and numerically. Experimental measurements and numerical simulations of the flame front position, temperature, and velocity are performed in stoichiometric CH{sub 4}/CO/air opposed-jet flames with various CO contents in the fuel. Thermocouple is used for the determination of flame temperature, velocity measurement is made using particle image velocimetry (PIV), and the flame front position is measured by direct photograph as well as with laser-induced predissociative fluorescence (LIPF) of OH imaging techniques. The laminar burning velocity is calculated using the PREMIX code of Chemkin collection 3.5. The flame structures of the premixed stoichiometric CH{sub 4}/CO/air opposed-jet flames are simulated using the OPPDIF package with GRI-Mech 3.0 chemical kinetic mechanisms and detailed transport properties. The measured flame front position, temperature, and velocity of the stoichiometric CH{sub 4}/CO/air flames are closely predicted by the numerical calculations. Detailed analysis of the calculated chemical kinetic structures reveals that as the CO content in the fuel is increased from 0% to 80%, CO oxidation (R99) increases significantly and contributes to a significant level of heat-release rate. It is also shown that the laminar burning velocity reaches a maximum value (57.5 cm/s) at the condition of 80% of CO in the fuel. Based on the results of sensitivity analysis, the chemistry of CO consumption shifts to the dry oxidation kinetics when CO content is further increased over 80%. Comparison between the results of computed laminar burning velocity, flame temperature, CO consumption rate, and sensitivity analysis reveals that the effect of CO addition on the laminar burning velocity of the stoichiometric CH{sub 4}/CO/air flames is due mostly to the transition of the dominant chemical kinetic steps. (author)

  15. Evaluating Impacts of CO2 and CH4 Gas Intrusion into an Unconsolidated Aquifer: Fate of As and Cd

    SciTech Connect (OSTI)

    Lawter, Amanda R.; Qafoku, Nikolla; Shao, Hongbo; Bacon, Diana H.; Brown, Christopher F.

    2015-07-10

    Abstract The sequestration of carbon dioxide (CO2) in deep underground reservoirs has been identified as an important strategy to decrease atmospheric CO2 levels and mitigate global warming, but potential risks on overlying aquifers currently lack a complete evaluation. In addition to CO2, other gases such as methane (CH4) may be present in storage reservoirs. This paper explores for the first time the combined effect of leaking CO2 and CH4 gasses on the fate of major, minor and trace elements in an aquifer overlying a potential sequestration site. Emphasis is placed on the fate of arsenic (As) and cadmium (Cd) released from the sediments or present as soluble constituents in the leaking brine. Results from macroscopic batch and column experiments show that the presence of CH4 (at a concentration of 1 % in the mixture CO2/CH4) does not have a significant effect on solution pH or the concentrations of most major elements (such as Ca, Ba, and Mg). However, the concentrations of Mn, Mo, Si and Na are inconsistently affected by the presence of CH4 (i.e., in at least one sediment tested in this study). Cd is not released from the sediments and spiked Cd is mostly removed from the aqueous phase most likely via adsorption. The fate of sediment associated As [mainly sorbed arsenite or As(III) in minerals] and spiked As [i.e., As5+] is complex. Possible mechanisms that control the As behavior in this system are discussed in this paper. Results are significant for CO2 sequestration risk evaluation and site selection and demonstrate the importance of evaluating reservoir brine and gas stream composition during site selection to ensure the safest site is being chosen.

  16. Direct Functionalization of Nitrogen Heterocycles via Rh-Catalyzed C-H Bond Activation

    SciTech Connect (OSTI)

    Lewis, Jared; Bergman, Robert; Ellman, Jonathan

    2008-02-04

    Nitrogen heterocycles are present in many compounds of enormous practical importance, ranging from pharmaceutical agents and biological probes to electroactive materials. Direct funtionalization of nitrogen heterocycles through C-H bond activation constitutes a powerful means of regioselectively introducing a variety of substituents with diverse functional groups onto the heterocycle scaffold. Working together, our two groups have developed a family of Rh-catalyzed heterocycle alkylation and arylation reactions that are notable for their high level of functional-group compatibility. This Account describes their work in this area, emphasizing the relevant mechanistic insights that enabled synthetic advances and distinguished the resulting transformations from other methods. They initially discovered an intramolecular Rh-catalyzed C-2-alkylation of azoles by alkenyl groups. That reaction provided access to a number of di-, tri-, and tetracyclic azole derivatives. They then developed conditions that exploited microwave heating to expedite these reactions. While investigating the mechanism of this transformation, they discovered that a novel substrate-derived Rh-N-heterocyclic carbene (NHC) complex was involved as an intermediate. They then synthesized analogous Rh-NHC complexes directly by treating precursors to the intermediate [RhCl(PCy{sub 3}){sub 2}] with N-methylbenzimidazole, 3-methyl-3,4-dihydroquinazolein, and 1-methyl-1,4-benzodiazepine-2-one. Extensive kinetic analysis and DFT calculations supported a mechanism for carbene formation in which the catalytically active RhCl(PCy{sub 3}){sub 2} fragment coordinates to the heterocycle before intramolecular activation of the C-H bond occurs. The resulting Rh-H intermediate ultimately tautomerizes to the observed carbene complex. With this mechanistic information and the discovery that acid co-catalysts accelerate the alkylation, they developed conditions that efficiently and intermolecularly alkylate a variety of heterocycles, including azoles, azolines, dihydroquinazolines, pyridines, and quinolines, with a wide range of functionalized olefins. They demonstrated the utility of this methodology in the synthesis of natural products, drug candidates, and other biologically active molecules. In addition, they developed conditions to directly arylate these heterocycles with aryl halides. The initial conditions that used PCy{sub 3} as a ligand were successful only for aryl iodides. However, efforts designed to avoid catalyst decomposition led to the development of ligands based on 9-phosphabicyclo[4.2.1]nonane (Phoban) that also facilitated the coupling of aryl bromides. They then replicated the unique coordination environment, stability, and catalytic activity of this complex using the much simpler tetrahydrophosphepine ligands and developed conditions that coupled aryl bromides bearing diverse functional groups without the use of a glovebox or purified reagents. With further mechanistic inquiry, they anticipate that researchers will better understand the details of the aforementioned Rh-catalyzed C-H bond functionalization reactions, resulting in the design of more efficient and robust catalysts, expanded substrate scope, and new transformations.

  17. Identification of genes directly regulated by the oncogene ZNF217using ChIP-chip assays.

    SciTech Connect (OSTI)

    Krig, S.R.; Jin, V.X.; Bieda, M.C.; O'geen, H.; Yaswen, P.; Green, R.; Farnham, P.J.

    2007-01-26

    It has been proposed that ZNF217, which is amplified at 20q13 in various tumors, plays a key role during neoplastic transformation. ZNF217 has been purified in complexes that contain repressor proteins such as CtBP2, suggesting that it acts as a transcriptional repressor. However, the function of ZNF217 has not been well characterized due to a lack of known target genes. Using a global chromatin immunoprecipitation (ChIP)-chip approach, we identified thousands of ZNF217 binding sites in three tumor cell lines (MCF7, SW480, and Ntera2). Further analysis of ZNF217 in Ntera2 cells showed that many promoters are bound by ZNF217 and CtBP2 and that a subset of these promoters are activated upon removal of ZNF217. Thus, our in vivo studies corroborate the in vitro biochemical analyses of ZNF217-containing complexes and support the hypothesis that ZNF217 functions as a transcriptional repressor. Gene ontology analysis showed that ZNF217 targets in Ntera2 cells are involved in organ development, suggesting that one function of ZNF217 may be to repress differentiation. Accordingly we show that differentiation of Ntera2 cells with retinoic acid led to down-regulation of ZNF217. Our identification of thousands of ZNF217 target genes will enable further studies of the consequences of aberrant expression of ZNF217 during neoplastic transformation.

  18. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions

    Office of Scientific and Technical Information (OSTI)

    Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2- H20) Interactions in Shale Nanopores under ReservoirSAND2o 1T-20" if4pe Yifeng Wang, Yongliang Xiong & Louise Criscenti Sandia National Laboratories Project Goals Key R&D Goals/Milestones Fundamental understanding of CH4-CO2-H2O behavior and their interactions in shale nanopores is of great importance for gas production and the related CO2 sequestration. We propose to systematically study CH4-CO2-H2O interactions in

  19. A Pyrrolyl-based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions

    SciTech Connect (OSTI)

    Sessler, Jonathan L.; Cia, Jiajia; Gong, Han-Yuan; Yang, Xiauping; Arambula, Jonathan F.; Hay, Benjamin

    2010-01-01

    A pyrrolyl-based triazolophane, incorporating CH and NH donor groups, acts as a receptor for the pyrophosphate anion in chloroform solution. It shows selectivity for this trianion, followed by HSO{sub 4}{sup -} > H{sub 2}PO{sub 4}{sup -} > Cl{sup -} > Br{sup -} (all as the corresponding tetrabutylammonium salts), with NH-anion interactions being more important than CH-anion interactions. In the solid state, the receptor binds the pyrophosphate anion in a clip-like slot via NH and CH hydrogen bonds.

  20. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and NMe2

    Office of Scientific and Technical Information (OSTI)

    byMonomeric [1,2,4-(Me3C)3C5H2]2CeH: Experimental and Computational Support for a Carbenoid Mechanism (Journal Article) | SciTech Connect Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and NMe2 byMonomeric [1,2,4-(Me3C)3C5H2]2CeH: Experimental and Computational Support for a Carbenoid Mechanism Citation Details In-Document Search Title: Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and NMe2 byMonomeric [1,2,4-(Me3C)3C5H2]2CeH: Experimental and Computational Support for

  1. Airborne CH2O measurements over the North Atlantic during the 1997 NARE campaign: Instrument comparisons and distributions

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

    Fried, Alan; Lee, Yin -Nan; Frost, Greg; Wert, Bryan; Henry, Bruce; Drummond, James R.; Hubler, Gerd; Jobson, Tom

    2002-02-27

    Here, formaldehyde measurements from two independent instruments are compared with photochemical box model calculations. The measurements were made on the NOAA P-3 aircraft as part of the 1997 North Atlantic Regional Experiment (NARE 1997). After examining the possible reasons for the model-measurement discrepancy, we conclude that there are probably one or more additional unknown sources of CH2O in the North Atlantic troposphere.

  2. IAEA-F1-CN69.pdf

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

    CONFINEMENT IN THE RFP: LUNDQUIST NUMBER SCALING, PLASMA FLOW, AND REDUCED TRANSPORT G. Fiksel, 1 A.F. Almagri, 1 J.K. Anderson, 1 T.M. Biewer, 1 D.L. Brower, 2 C-S. Chiang, 1 B.E. Chapman, 1 J.T. Chapman, 1 D.J. Craig, 1 N.A. Crocker, 1 D.J. Den Hartog, 1 P.W. Fontana, 1 C.B. Forest, 1 Y. Jiang, 2 A.K. Hansen, 1 D. Holly, 1 N.E. Lanier, 1 K.A. Mirus, 1 S.C. Prager, 1 J.S. Sarff, 1 U. Shah, 3 J.C. Sprott, 1 M.R. Stoneking, 4 and E. Uchimoto 5 1 Department of Physics, University of

  3. Microsoft Word - long-cn.doc

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

    Measurement (ARM) value-added product (VAP), as described in Long and Gaustad (2001). ... clouds on both the downwelling LW and SW portions of the surface radiative energy budget. ...

  4. PP-366_CX_CN.pdf

    Energy Savers [EERE]

  5. EA-137-A_NYSEG_CN.pdf

    Energy Savers [EERE]

  6. EA-171-C_Powerex_CN.pdf

    Energy Savers [EERE]

  7. EA-171-D Powerex (CN)_0.pdf

    Energy Savers [EERE]

  8. EA-171-D Powerex CN.pdf

    Energy Savers [EERE]

  9. EA-182-D HQUS (CN).pdf

    Energy Savers [EERE]

  10. EA-191-D_SET_CN.pdf

    Energy Savers [EERE]

  11. EA-209-C CPM CN.pdf

    Energy Savers [EERE]

  12. EA-216-C TEMUS CN.pdf

    Energy Savers [EERE]

  13. EA-243-B Tenaska_CN.pdf

    Energy Savers [EERE]

  14. EA-249-A_Exelon_CN.pdf

    Energy Savers [EERE]

  15. EA-249-B_Exelon_CN.pdf

    Energy Savers [EERE]

  16. EA-257-C_Emera_CN.pdf

    Energy Savers [EERE]

  17. EA-258-C_Brookfield_CN.pdf

    Energy Savers [EERE]

  18. EA-260-A_EPCOR_CN.pdf

    Energy Savers [EERE]

  19. EA-262-C_TCPM_CN.pdf

    Energy Savers [EERE]

  20. EA-264-B_ENMAX_CN.pdf

    Energy Savers [EERE]

  1. EA-370 Vitol CN.pdf

    Energy Savers [EERE]

  2. EA-372-_GSEMNA_CN.pdf

    Energy Savers [EERE]

  3. EA-376_SGEC_CN.pdf

    Energy Savers [EERE]

  4. EA-385 Dynasty CN.pdf

    Energy Savers [EERE]

  5. EA-385 Dynasty Power CN.pdf

    Energy Savers [EERE]

  6. EA-388 TEC (CN).pdf

    Energy Savers [EERE]

  7. EA-404 Chubu TT (CN).pdf

    Energy Savers [EERE]

  8. EA-404 Chubu TT (CN)_0.pdf

    Energy Savers [EERE]

  9. EA-409 Saracen Power (CN).pdf

    Energy Savers [EERE]

  10. EA-410 CWP Energy (CN).pdf

    Energy Savers [EERE]

  11. EA-410 CWP Energy CN.pdf

    Energy Savers [EERE]

  12. EA-411 Targray (CN).pdf

    Energy Savers [EERE]

  13. EA-414 Roctop (CN).pdf

    Energy Savers [EERE]

  14. EA-414 Roctop (CN).pdf

    Energy Savers [EERE]

  15. EA-416 CEE (CN).pdf

    Energy Savers [EERE]

  16. EA-97-C_Portland_CN.pdf

    Energy Savers [EERE]

  17. EA-97-D PGE (CN).pdf

    Energy Savers [EERE]

  18. Structure, phase transitions, and isotope effects in [(CH3)4N]2PuCl6

    SciTech Connect (OSTI)

    Wilson, Richard E.

    2015-11-02

    The single crystal X-ray diffraction structure of [(CH3)4N]2PuCl6 is presented for the first time, resolving long standing confusion and speculation regarding the structure of this compound in the literature. A temperature dependent study of this compound shows that the structure of [(CH3)4N]2PuCl6 undergoes no fewer than two phase transitions between 100 and 360 K. The phase of [(CH3)4N]2PuCl6 at room temperature is Fd-3c a = 26.012(3) Å. At 360 K, the structure is in space group Fm-3m with a = 13.088(1) Å. The plutonium octahedra and tetramethylammonium cations undergo a rotative displacement and the degree of rotation varies with temperature, giving rise to the phase transition from Fm-3m to Fd-3c as the crystal is cooled. Synthesis and structural studies of the deuterated salt [(CD3)4N]2PuCl6 suggest that there is an isotopic effect associated with this phase transition as revealed by a changing transition temperature in the deuterated versus protonated compound indicating that the donor-acceptor interactions between the tetramethylammonium cations and the hexachloroplutonate anions are driving the phase transformation.

  19. Solid-state organometallic chemistry of molecular metal oxide clusters: C-H activation by an iridium polyoxometalate

    SciTech Connect (OSTI)

    Siedle, A.R.; Newmark, R.A.; Brown-Wensley, K.A.; Skarjune, R.P.; Haddad, L.C.; Hodgson, K.O.; Roe, A.L.

    1988-09-01

    Hydrogenation of ((Ph/sub 3/P)/sub 2/Ir(C/sub 8/H/sub 12/))/sub 3/PW/sub 12/O/sub 40/ in a solid-gas reaction produces ((Ph/sub 3/P)/sub 2/IrH/sub 2/)/sub 3/PW/sub 12/O/sub 40/. EXAFS studies of the molybdenum analogue indicate the presence of isolated, lattice-stabilized (Ph/sub 3/P)/sub 2/IrH/sub 2//sup +/ ions. H/emdash/D exchange with CD/sub 3/CH/double bond/CH/sub 2/ occurs via a reversible C/emdash/H addition reaction that also produces ((Ph/sub 3/P)/sub 2/IrH(/pi/-C/sub 3/H/sub 5/))/sub 3/PW/sub 12/O/sub 40/ and scrambles the C/sub 3/D/sub 3/H/sub 3/ deuterium label. Exchange with toluene is selective and involves activation of aromatic but not aliphatic C-H bonds. Slow exchange with c-C/sub 6/D/sub 12/ also occurs.

  20. U.S. Department of Energy, Richland Operations Office And CH2M HILL Plateau Remediation Company Partnering Charter For Partnering Performance Agreement

    Broader source: Energy.gov [DOE]

    The U.S. Department of Energy (DOE) Richland Operations Office (DOE-RL) and CH2M HILL Plateau Remediation Company (CHPRC) are committed to continuous improvement and will utilize principles of the...

  1. Critical interpretation of CH and OH stretching regions for infrared spectra of methanol clusters (CH{sub 3}OH){sub n} (n = 25) using self-consistent-charge density functional tight-binding molecular dynamics simulations

    SciTech Connect (OSTI)

    Nishimura, Yoshifumi; Lee, Yuan-Pern; Irle, Stephan; Witek, Henryk A.

    2014-09-07

    Vibrational infrared (IR) spectra of gas-phase OH???O methanol clusters up to pentamer are simulated using self-consistent-charge density functional tight-binding method using two distinct methodologies: standard normal mode analysis and Fourier transform of the dipole time-correlation function. The twofold simulations aim at the direct critical assignment of the CH stretching region of the recently recorded experimental spectra [H.-L. Han, C. Camacho, H. A. Witek, and Y.-P. Lee, J. Chem. Phys. 134, 144309 (2011)]. Both approaches confirm the previous assignment (ibid.) of the CH stretching bands based on the B3LYP/ANO1 harmonic frequencies, showing that ?{sub 3}, ?{sub 9}, and ?{sub 2} CH stretching modes of the proton-accepting (PA) and proton-donating (PD) methanol monomers experience only small splittings upon the cluster formation. This finding is in sharp discord with the assignment based on anharmonic B3LYP/VPT2/ANO1 vibrational frequencies (ibid.), suggesting that some procedural faults, likely related to the breakdown of the perturbational vibrational treatment, led the anharmonic calculations astray. The IR spectra based on the Fourier transform of the dipole time-correlation function include new, previously unaccounted for physical factors such as non-zero temperature of the system and large amplitude motions of the clusters. The elevation of temperature results in a considerable non-homogeneous broadening of the observed IR signals, while the presence of large-amplitude motions (methyl group rotations and PA-PD flipping), somewhat surprisingly, does not introduce any new features in the spectrum.

  2. Final LDRD report : development of sample preparation methods for ChIPMA-based imaging mass spectrometry of tissue samples.

    SciTech Connect (OSTI)

    Maharrey, Sean P.; Highley, Aaron M.; Behrens, Richard, Jr.; Wiese-Smith, Deneille

    2007-12-01

    The objective of this short-term LDRD project was to acquire the tools needed to use our chemical imaging precision mass analyzer (ChIPMA) instrument to analyze tissue samples. This effort was an outgrowth of discussions with oncologists on the need to find the cellular origin of signals in mass spectra of serum samples, which provide biomarkers for ovarian cancer. The ultimate goal would be to collect chemical images of biopsy samples allowing the chemical images of diseased and nondiseased sections of a sample to be compared. The equipment needed to prepare tissue samples have been acquired and built. This equipment includes an cyro-ultramicrotome for preparing thin sections of samples and a coating unit. The coating unit uses an electrospray system to deposit small droplets of a UV-photo absorbing compound on the surface of the tissue samples. Both units are operational. The tissue sample must be coated with the organic compound to enable matrix assisted laser desorption/ionization (MALDI) and matrix enhanced secondary ion mass spectrometry (ME-SIMS) measurements with the ChIPMA instrument Initial plans to test the sample preparation using human tissue samples required development of administrative procedures beyond the scope of this LDRD. Hence, it was decided to make two types of measurements: (1) Testing the spatial resolution of ME-SIMS by preparing a substrate coated with a mixture of an organic matrix and a bio standard and etching a defined pattern in the coating using a liquid metal ion beam, and (2) preparing and imaging C. elegans worms. Difficulties arose in sectioning the C. elegans for analysis and funds and time to overcome these difficulties were not available in this project. The facilities are now available for preparing biological samples for analysis with the ChIPMA instrument. Some further investment of time and resources in sample preparation should make this a useful tool for chemical imaging applications.

  3. DOE/ET/23002-T9 L 4 / POLY ACETYLENE, (CH)x, AS AN EMERGING MATERIAL FOR SOLAR

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

    y DOE/ET/23002-T9 L 4 / POLY ACETYLENE, (CH)x, AS AN EMERGING MATERIAL FOR SOLAR CELL APPLICATIONS Final Technical Report, March 19,1979-March 18,1980 By A. J. Heeger A. G. MacDiarmid Junes, 1980 Work Performed Under Contract No. AC04-79ET23002 University of Pennsylvania Philadelphia, Pennsylvania MASe U.S. Departmertt of Energy Solar Energy mSTHieWTOWOFTHIS DOCUM€W IS UMLIM1TC9 DISCLAIMER "This book was prepared as an account of work sponsored by an agency of the United States

  4. Study of x-ray radiant characteristics and thermal radiation redistribution in CH foam filling cylindrical cavities

    SciTech Connect (OSTI)

    Shang Wanli; Zhu Tuo; Song Tianming; Zhang Wenhai; Zhao Yang; Xiong Gang; Zhang Jiyan; Yang Jiamin

    2011-04-15

    Experiments are presented, which demonstrate the properties of x-ray radiation and redistribution of radiant thermal energy in high Z cylindrical cavities filled with low Z CH foam. Time integrated spectra records were obtained by a calibrated space-resolved transmission grating spectrometer. The x-ray radiation became weaker in intensity and was changed to a softer near-Planckian radiation light after a 1500 {mu}m long transport in the foam filling cavity. The experimental redistribution of the radiant thermal energy was plotted and compared to the numerical results of a simplified model. Good agreements have been achieved.

  5. li Aone+amth arfumionto itu%illti&% p?e~6a'&ionofthoChOmiQo

    Office of Legacy Management (LM)

    li Aone+amth arfumionto itu%illti&% p?e~6a'&ionofthoChOmiQo SinaL report, pattisulerly dfh, raqmot b dto evaluation. 8. A eixdtoirth~atension primarily to inauro havlrg Chealeo &&able . fbroowultationonWtj0 ~itoevaluation~rkforthet&wto Bsddw Timoveoy ?lant, but 980 to keep Chemioo avsilable for dmelopm~t ark on the alternate oatbanatie mtoolaw leaoh proosa80 DIECDBfiIOH Be are requesting anamndcmntto o&end CoatmotAT(W&-1489 with the Chmaloal Qonstruobloon Cor;orhlon.

  6. Optimizing the FLASH code: preparing for Mira BG/Q and improving...

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

    April 30, 2013 10:00-11:00 PDT Oakland Scientific Facility Room 238 FLASH is a multi-physics, component-based scientific code which has been used on the largest HPC platforms...

  7. Survey of the high resolution infrared spectrum of methane ({sup 12}CH{sub 4} and {sup 13}CH{sub 4}): Partial vibrational assignment extended towards 12000 cm{sup ?1}

    SciTech Connect (OSTI)

    Ulenikov, O. N.; Bekhtereva, E. S.; Albert, S.; Bauerecker, S.; Niederer, H. M.; Quack, M.

    2014-12-21

    We have recorded the complete infrared spectrum of methane {sup 12}CH{sub 4} and its second most abundant isotopomer {sup 13}CH{sub 4} extending from the fundamental range starting at 1000 cm{sup ?1} up to the overtone region near 12000 cm{sup ?1} in the near infrared at the limit towards the visible range, at temperatures of about 80 K and also at 298 K with Doppler limited resolution in the gas phase by means of interferometric Fourier transform spectroscopy using the Bruker IFS 125 HR prototype (ZP 2001) of the ETH Zrich laboratory. This provides the so far most complete data set on methane spectra in this range at high resolution. In the present work we report in particular those results, where the partial rovibrational analysis allows for the direct assignment of pure (J = 0) vibrational levels including high excitation. These results substantially extend the accurate knowledge of vibrational band centers to higher energies and provide a benchmark for both the comparison with theoretical results on the one hand and atmospheric spectroscopy on the other hand. We also present a simple effective Hamiltonian analysis, which is discussed in terms of vibrational level assignments and {sup 13}C isotope effects.

  8. Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction on a neural network PES

    SciTech Connect (OSTI)

    Welsch, Ralph Manthe, Uwe

    2015-02-14

    Initial state-selected reaction probabilities of the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction are calculated in full and reduced dimensionality on a recent neural network potential [X. Xu, J. Chen, and D. H. Zhang, Chin. J. Chem. Phys. 27, 373 (2014)]. The quantum dynamics calculation employs the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and rigorously studies the reaction for vanishing total angular momentum (J = 0). The calculations investigate the accuracy of the neutral network potential and study the effect resulting from a reduced-dimensional treatment. Very good agreement is found between the present results obtained on the neural network potential and previous results obtained on a Shepard interpolated potential energy surface. The reduced-dimensional calculations only consider motion in eight degrees of freedom and retain the C{sub 3v} symmetry of the methyl fragment. Considering reaction starting from the vibrational ground state of methane, the reaction probabilities calculated in reduced dimensionality are moderately shifted in energy compared to the full-dimensional ones but otherwise agree rather well. Similar agreement is also found if reaction probabilities averaged over similar types of vibrational excitation of the methane reactant are considered. In contrast, significant differences between reduced and full-dimensional results are found for reaction probabilities starting specifically from symmetric stretching, asymmetric (f{sub 2}-symmetric) stretching, or e-symmetric bending excited states of methane.

  9. S-OO bond dissociation energies and enthalpies of formation of the thiomethyl peroxyl radicals CH{sub 3}S(O){sub n}OO (n=0,1,2)

    SciTech Connect (OSTI)

    Salta, Zoi; Kosmas, Agnie Mylona; Lesar, Antonija

    2014-10-06

    Optimized geometries, S-OO bond dissociation energies and enthalpies of formation for a series of thiomethyl peroxyl radicals are investigated using high level ab initio and density functional theory methods. The results show that the S-OO bond dissociation energy is largest in the methylsulfonyl peroxyl radical, CH{sub 3}S(O){sub 2}OO, which contains two sulfonic type oxygen atoms followed by the methylthiyl peroxyl radical, CH{sub 3}SOO. The methylsulfinyl peroxyl radical, CH{sub 3}S(O)OO, which contains only one sulfonic type oxygen shows the least stability with regard to dissociation to CH{sub 3}S(O)+O{sub 2}. This stabilization trend is nicely reflected in the variations of the S-OO bond distance which is found to be shortest in CH{sub 3}S(O){sub 2}OO and longest in CH{sub 3}S(O)OO.

  10. Department of Justice: CH2M Hill Hanford Group Inc. Admits Criminal Conduct, Parent Company Agrees to Cooperate in Ongoing Investigation and Pay $18.5 Million to Resolve Civil and Criminal Allegations

    Broader source: Energy.gov [DOE]

    The Justice Department, in conjunction with the U.S. Attorney’s Office for the Eastern District of Washington, announced today that Colorado-based CH2M Hill Hanford Group Inc. (CHG) and its parent company, CH2M Hill Companies Ltd. (CH2M Hill) have agreed that CHG committed federal criminal violations, defrauding the public by engaging in years of widespread time card fraud.

  11. Communication: Imaging the effects of the antisymmetric-stretching excitation in the O({sup 3}P) + CH{sub 4}(v{sub 3} = 1) reaction

    SciTech Connect (OSTI)

    Pan, Huilin [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China) [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China); State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Liu, Kopin, E-mail: kliu@po.iams.sinica.edu.tw [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China)] [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China)

    2014-05-21

    Effects of one-quantum excitation of the antisymmetric-stretching mode of CH{sub 4}(v{sub 3} = 1) on the O({sup 3}P) + CH{sub 4} reaction were studied in a crossed-beam, ion-imaging experiment. In the post-threshold region, we found that (1) the product state distributions are dominated by the CH{sub 3}(0{sub 0}) + OH(v{sup ?} = 1) pair, (2) the product angular distributions extend toward sideways from the backward dominance of the ground-state reaction, and (3) vibrational excitation exerts a positive effect on reactivity, but translational energy is more efficient in promoting the rate of this central-barrier reaction. All major findings agree reasonably well with recent theoretical results. Some remaining questions are pointed out.

  12. Unusual defect physics in CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cell absorber

    SciTech Connect (OSTI)

    Yin, Wan-Jian Shi, Tingting; Yan, Yanfa

    2014-02-10

    Thin-film solar cells based on Methylammonium triiodideplumbate (CH{sub 3}NH{sub 3}PbI{sub 3}) halide perovskites have recently shown remarkable performance. First-principle calculations show that CH{sub 3}NH{sub 3}PbI{sub 3} has unusual defect physics: (i) Different from common p-type thin-film solar cell absorbers, it exhibits flexible conductivity from good p-type, intrinsic to good n-type depending on the growth conditions; (ii) Dominant intrinsic defects create only shallow levels, which partially explain the long electron-hole diffusion length and high open-circuit voltage in solar cell. The unusual defect properties can be attributed to the strong Pb lone-pair s orbital and I p orbital antibonding coupling and the high ionicity of CH{sub 3}NH{sub 3}PbI{sub 3}.

  13. ELECTRON IRRADIATION OF KUIPER BELT SURFACE ICES: TERNARY N{sub 2}-CH{sub 4}-CO MIXTURES AS A CASE STUDY

    SciTech Connect (OSTI)

    Kim, Y. S.; Kaiser, R. I.

    2012-10-10

    The space weathering of icy Kuiper Belt Objects was investigated in this case study by exposing methane (CH{sub 4}) and carbon monoxide (CO) doped nitrogen (N{sub 2}) ices at 10 K to ionizing radiation in the form of energetic electrons. Online and in situ Fourier transform infrared spectroscopy was utilized to monitor the radiation-induced chemical processing of these ices. Along with isocyanic acid (HNCO), the products could be mainly derived from those formed in irradiated binary ices of the N{sub 2}-CH{sub 4} and CO-CH{sub 4} systems: nitrogen-bearing products were found in the form of hydrogen cyanide (HCN), hydrogen isocyanide (HNC), diazomethane (CH{sub 2}N{sub 2}), and its radical fragment (HCN{sub 2}); oxygen-bearing products were of acetaldehyde (CH{sub 3}CHO), formyl radical (HCO), and formaldehyde (H{sub 2}CO). As in the pure ices, the methyl radical (CH{sub 3}) and ethane (C{sub 2}H{sub 6}) were also detected, as were carbon dioxide (CO{sub 2}) and the azide radical (N{sub 3}). Based on the temporal evolution of the newly formed products, kinetic reaction schemes were then developed to fit the temporal profiles of the newly formed species, resulting in numerical sets of rate constants. The current study highlights important constraints on the preferential formation of isocyanic acid (HNCO) over hydrogen cyanide (HCN) and hydrogen isocyanide (HNC), thus guiding the astrobiological and chemical evolution of those distant bodies.

  14. Review of the findings of the Ignik Sikumi CO2-CH4 gas hydrate exchange field trial

    SciTech Connect (OSTI)

    Anderson, Brian J.; Boswell, Ray; Collett, Tim S.; Farrell, Helen; Ohtsuka, Satoshi; White, Mark D.

    2014-08-01

    The Ignik Sikumi Gas Hydrate Exchange Field Trial was conducted by ConocoPhillips in partnership with the U.S. Department of Energy, the Japan Oil, Gas, and Metals National Corporation, and the U.S. Geological Survey within the Prudhoe Bay Unit on the Alaska North Slope (ANS) during 2011 and 2012. The 2011 field program included drilling the vertical test well and performing extensive wireline logging through a thick section of gas-hydrate-bearing sand reservoirs that provided substantial new insight into the nature of ANS gas hydrate occurrences. The 2012 field program involved an extended, scientific field trial conducted within a single vertical well (“huff-and-puff” design) through three primary operational phases: 1) injection of a gaseous phase mixture of CO2, N2, and chemical tracers; 2) flowback conducted at down-hole pressures above the stability threshold for native CH4-hydrate, and 3) extended (30-days) flowback at pressures below the stability threshold of native CH4-hydrate. Ignik Sikumi represents the first field investigation of gas hydrate response to chemical injection, and the longest-duration field reservoir response experiment yet conducted. Full descriptions of the operations and data collected have been fully reported by ConocoPhillips and are available to the science community. The 2011 field program indicated the presence of free water within the gas hydrate reservoir, a finding with significant implications to the design of the exchange trial – most notably the use of a mixed gas injectant. While this decision resulted in a complex chemical environment within the reservoir that greatly tests current experimental and modeling capabilities – without such a mixture, it is apparent that injection could not have been achieved. While interpretation of the field data are continuing, the primary scientific findings and implications of the program are: 1) gas hydrate destabilizing is self-limiting, dispelling any notion of the potential for uncontrolled destabilization; 2) wells must be carefully designed to enable rapid remediation of well-bore blockages that will occur during any cessation in operations; 3) appropriate gas mixes can be successfully injected into hydrate-bearing reservoirs; 4) sand production can be well-managed through standard engineering controls; 5) reservoir heat exchange during depressurization was much more favorable than expected – mitigating concerns for near-well-bore freezing and enabling consideration of more aggressive pressure reduction and; 6) CO2-CH4 exchange can be accomplished in natural reservoirs. The next steps in evaluation of exchange technology should feature multiple well applications; however such field programs will require extensive preparatory experimental and numerical modeling studies and will likely be a secondary priority to further field testing of production through depressurization.

  15. Microstructures and properties of CH{sub 3}NH{sub 3}PbI{sub 3?x}Cl{sub x} hybrid solar cells

    SciTech Connect (OSTI)

    Suzuki, Kohei E-mail: oku@mat.usp.ac.jp; Suzuki, Atsushi E-mail: oku@mat.usp.ac.jp; Zushi, Masahito E-mail: oku@mat.usp.ac.jp; Oku, Takeo E-mail: oku@mat.usp.ac.jp

    2015-02-27

    Halide-perovskite CH{sub 3}NH{sub 3}PbI{sub 3} was produced on mesoporous TiO{sub 2} layer by spin-coating a precursor solution of PbCl{sub 2} and CH{sub 3}NH{sub 3}I in dimethylformamide. The role of the annealing process and chlorine (Cl) doping for the perovskite-phase formation was investigated. It was found that crystallization of the perovskite materials was stimulated by the annealing process, and that longer annealing time is necessary for the Cl-doped perovskite compared with that of non-doped perovskite phase.

  16. Complete Phase I Tests As Described in the Multi-lab Test Plan for the Evaluation of CH3I Adsorption on AgZ

    SciTech Connect (OSTI)

    Bruffey, S. H.; Jubin, R. T.

    2014-09-30

    Silver-exchanged mordenite (AgZ) has been identified as a potential sorbent for iodine present in the off-gas streams of a used nuclear fuel reprocessing facility. In such a facility, both elemental and organic forms of iodine are released from the dissolver in gaseous form. These species of iodine must be captured with high efficiency for a facility to avoid radioactive iodine release above regulatory limits in the gaseous effluent of the plant. Studies completed at Idaho National Laboratory (INL) examined the adsorption of organic iodine in the form of CH3I by AgZ. Upon breakthrough of the feed gas through the sorbent bed, elemental iodine was observed in the effluent stream, despite the fact that the only source of iodine in the system was the CH3I in the feed gas.1 This behavior does not appear to have been reported previously nor has it been independently confirmed. Thus, as a result of these prior studies, multiple knowledge gaps relating to the adsorption of CH3I by AgZ were identified, and a multi-lab test plan, including Oak Ridge National Laboratory (ORNL), INL, Pacific Northwest National Laboratory (PNNL), and Sandia National Laboratories, was formulated to address each in a systematic way.2 For this report, the scope of work for ORNL was further narrowed to three thin-bed experiments that would characterize CH3I adsorption onto AgZ in the presence of water, NO, and NO2. Completion of these three-thin bed experiments demonstrated that organic iodine in the form of CH3I was adsorbed by reduced silver mordenite (Ag0Z) to a 50% higher loading than that of I2 when adsorbed from a dry air stream. Adsorption curves suggest different adsorption mechanisms for I2 and CH3I. In the presence of NO and NO2 gas, the loading of CH3I onto Ag0Z is suppressed and may be reversible. Further, the presence of NO and NO2 gas appears to oxidize CH3I to I2; this is indicated by an adsorption curve similar to that of I2 on Ag0Z. Finally, the loss of organic iodine loading capacity by Ag0Z in the presence of NOx is unaffected by the addition of water vapor to the gas stream; no marked additional loss in capacity or retention was observed.

  17. Time-Resolved Quantitative Measurement of OH HO2 and CH2O in Fuel Oxidation Reactions by High Resolution IR Absorption Spectroscopy.

    SciTech Connect (OSTI)

    Huang, Haifeng; Rotavera, Brandon; Taatjes, Craig A.

    2014-08-01

    Combined with a Herriott-type multi-pass slow flow reactor, high-resolution differential direct absorption spectroscopy has been used to probe, in situ and quantitatively, hydroxyl (OH), hydroperoxy (HO 2 ) and formaldehyde (CH 2 O) molecules in fuel oxidation reactions in the reactor, with a time resolution of about 1 micro-second. While OH and CH 2 O are probed in the mid-infrared (MIR) region near 2870nm and 3574nm respectively, HO 2 can be probed in both regions: near-infrared (NIR) at 1509nm and MIR at 2870nm. Typical sensitivities are on the order of 10 10 - 10 11 molecule cm -3 for OH at 2870nm, 10 11 molecule cm -3 for HO 2 at 1509nm, and 10 11 molecule cm -3 for CH 2 O at 3574nm. Measurements of multiple important intermediates (OH and HO 2 ) and product (CH 2 O) facilitate to understand and further validate chemical mechanisms of fuel oxidation chemistry.

  18. Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

    SciTech Connect (OSTI)

    Bachhuber, Frederik; Krach, Alexander; Furtner, Andrea; Söhnel, Tilo; Peter, Philipp; Rothballer, Jan; Weihrich, Richard

    2015-03-15

    Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine their stabilities, competing binary MT{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs{sub 2} type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS{sub 2}.

  19. Infrared spectroscopic and modeling studies of H{sub 2}/CH{sub 4} microwave plasma gas phase from low to high pressure and power

    SciTech Connect (OSTI)

    Rond, C. Lombardi, G.; Gicquel, A.; Hamann, S.; Rpcke, J.; Wartel, M.

    2014-09-07

    InfraRed Tunable Diode Laser Absorption Spectroscopy technique has been implemented in a H{sub 2}/CH{sub 4} Micro-Wave (MW frequency f?=?2.45 GHz) plasma reactor dedicated to diamond deposition under high pressure and high power conditions. Parametric studies such as a function of MW power, pressure, and admixtures of methane have been carried out on a wide range of experimental conditions: the pressure up to 270 mbar and the MW power up to 4?kW. These conditions allow high purity Chemical Vapor Deposition diamond deposition at high growth rates. Line integrated absorption measurements have been performed in order to monitor hydrocarbon species, i.e., CH{sub 3}, CH{sub 4}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The densities of the stable detected species were found to vary in the range of 10{sup 12}10{sup 17} molecules cm{sup ?3}, while the methyl radical CH{sub 3} (precursor of diamond growth under these conditions) measured into the plasma bulk was found up to 10{sup 14} molecules cm{sup ?3}. The experimental densities have been compared to those provided by 1D-radial thermochemical model for low power and low pressure conditions (up to 100 mbar/2?kW). These densities have been axially integrated. Experimental measurements under high pressure and power conditions confirm a strong increase of the degree of dissociation of the precursor, CH{sub 4}, associated to an increase of the C{sub 2}H{sub 2} density, the most abundant reaction product in the plasma.

  20. LINE LISTS FOR THE A {sup 2}?-X {sup 2}?{sup +} (RED) AND B {sup 2}?{sup +}-X {sup 2}?{sup +} (VIOLET) SYSTEMS OF CN, {sup 13}C{sup 14}N, AND {sup 12}C{sup 15}N, AND APPLICATION TO ASTRONOMICAL SPECTRA

    SciTech Connect (OSTI)

    Sneden, Christopher; Lucatello, Sara; Ram, Ram S.; Brooke, James S. A.; Bernath, Peter E-mail: sara.lucatello@oapd.inaf.it E-mail: jsabrooke@gmail.com

    2014-10-01

    New red and violet system line lists for the CN isotopologues {sup 13}C{sup 14}N and {sup 12}C{sup 15}N have been generated. These new transition data are combined with those previously derived for {sup 12}C{sup 14}N, and applied to the determination of CNO abundances in the solar photosphere and in four red giant stars: Arcturus, the bright, very low-metallicity star HD 122563, and the carbon-enhanced metal-poor stars HD 196944 and HD 201626. When both red and violet system lines are detectable in a star, their derived N abundances are in good agreement. The mean N abundances determined in this work are also generally in accord with published values.

  1. The European land and inland water CO2, CO, CH4 and N2O balance between 2001 and 2005

    SciTech Connect (OSTI)

    Luyassaert, S; Abril, G; Andres, Robert Joseph; Bastviken, D; Bellassen, V; Bergamaschi, P; Bousquet, P; Chevallier, F; Ciais, P.; Dechow, R; Erb, K-H; Etiope, G; Fortems-Cheiney, A; Grassi, G; Hartmann, J; Jung, M.; Lathiere, J; Lohila, A; Mayorga, E; Moosdorf, N; Njakou, D; Otto, J; Papale, D.; Peters, W; Peylin, P; Raymond, Peter A; Rodenbeck, C; Saarnio, S; Schulze, E.-D.; Szopa, S; Thompson, R; Verkerk, P; Vuichard, N; Wang, R; Wattenbach, M; Zaehle, S

    2012-01-01

    Globally, terrestrial ecosystems have absorbed about 30% of anthropogenic greenhouse gas emissions over the period 2000-2007 and inter-hemispheric gradients indicate that a significant fraction of terrestrial carbon sequestration must be north of the Equator. We present a compilation of the CO{sub 2}, CO, CH{sub 4} and N{sub 2}O balances of Europe following a dual constraint approach in which (1) a land-based balance derived mainly from ecosystem carbon inventories and (2) a land-based balance derived from flux measurements are compared to (3) the atmospheric data-based balance derived from inversions constrained by measurements of atmospheric GHG (greenhouse gas) concentrations. Good agreement between the GHG balances based on fluxes (1294 {+-} 545 Tg C in CO{sub 2}-eq yr{sup -1}), inventories (1299 {+-} 200 Tg C in CO{sub 2}-eq yr{sup -1}) and inversions (1210 {+-} 405 Tg C in CO{sub 2}-eq yr{sup -1}) increases our confidence that the processes underlying the European GHG budget are well understood and reasonably sampled. However, the uncertainty remains large and largely lacks formal estimates. Given that European net land to atmosphere exchanges are determined by a few dominant fluxes, the uncertainty of these key components needs to be formally estimated before efforts could be made to reduce the overall uncertainty. The net land-to-atmosphere flux is a net source for CO{sub 2}, CO, CH{sub 4} and N{sub 2}O, because the anthropogenic emissions by far exceed the biogenic sink strength. The dual-constraint approach confirmed that the European biogenic sink removes as much as 205 {+-} 72 Tg C yr{sup -1} from fossil fuel burning from the atmosphere. However, This C is being sequestered in both terrestrial and inland aquatic ecosystems. If the C-cost for ecosystem management is taken into account, the net uptake of ecosystems is estimated to decrease by 45% but still indicates substantial C-sequestration. However, when the balance is extended from CO{sub 2} towards the main GHGs, C-uptake by terrestrial and aquatic ecosystems is offset by emissions of non-CO{sub 2} GHGs. As such, the European ecosystems are unlikely to contribute to mitigating the effects of climate change.

  2. The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction

    SciTech Connect (OSTI)

    Welsch, Ralph Manthe, Uwe

    2014-11-07

    Full-dimensional calculations of initial state-selected reaction probabilities on an accurate ab initio potential energy surface (PES) have been communicated recently [R. Welsch and U. Manthe, J. Chem. Phys. 141, 051102 (2014)]. These calculations use the quantum transition state concept, the multi-layer multi-configurational time-dependent Hartree approach, and graphics processing units to speed up the potential evaluation. Here further results of these calculations and an extended analysis are presented. State-selected reaction probabilities are given for many initial ro-vibrational states. The role of the vibrational states of the activated complex is analyzed in detail. It is found that rotationally cold methane mainly reacts via the ground state of the activated complex while rotationally excited methane mostly reacts via HHCH{sub 3}-bending excited states of the activated complex. Analyzing the different contributions to the reactivity of the vibrationally states of methane, a complex pattern is found. Comparison with initial state-selected reaction probabilities computed on the semi-empirical Jordan-Gilbert PES reveals the dependence of the results on the specific PES.

  3. Synthesis and crystal structure of (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)

    SciTech Connect (OSTI)

    Serezhkina, L. B.; Peresypkina, E. V.; Virovets, A. V.; Karasev, M. O.

    2010-01-15

    Single crystals of the compound (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)] (I) are synthesized, and their structure is investigated using X-ray diffraction. Compound I crystallizes in the monoclinic system with the unit cell parameters a = 18.3414(6) A, b = 16.3858(7) A, c = 12.4183(5) A, {beta} = 92.992(1){sup o}, space group C2/c, Z = 4, V = 3727.1(3) A{sup 3}, and R = 0.0253. The uranium-containing structural units of crystals I are mononuclear complexes of two types with an island structure, i.e., the [UO{sub 2}(CH{sub 3}COO){sub 3}]{sup -} anionic complexes belonging to the crystal-chemical group (AB{sub 3}{sup 01} = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}) of the uranyl complexes and the [UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)]{sup -} anionic complexes belonging to the crystal-chemical group AB{sup 01}M{sub 3}{sup 1} (A = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}, M{sup 1} = NCS{sup -} or H{sub 2}O).

  4. Photocatalytic CO{sub 2} reduction by CH{sub 4} over montmorillonite modified TiO{sub 2} nanocomposites in a continuous monolith photoreactor

    SciTech Connect (OSTI)

    Tahir, Muhammad; Tahir, Beenish

    2015-03-15

    Highlights: TiO{sub 2}/MMT supported monolith photo-reactor was tested for CO{sub 2} reduction with CH{sub 4}. MMT inhibited crystal growth and enhanced TiO{sub 2} photo-activity in monolith reactor. CO{sub 2} was reduced by CH{sub 4} to CO, CH{sub 3}OH, C{sub 2}H{sub 6}, C{sub 3}H{sub 6} and C{sub 3}H{sub 8} in a monolith reactor. CO yield over TiO{sub 2}/MMT was 237.5 ?mol g-catal.{sup ?1} h{sup ?1}, a 2.52 fold than TiO{sub 2}. Stability test revealed TiO{sub 2}/MMT partially lost photo-activity in reused cyclic runs. - Abstract: In this study, the performance of montmorillonite (MMT) modified TiO{sub 2} nanocomposites for photocatalytic CO{sub 2} reduction with CH{sub 4} in a continuous monolith photoreactor has been investigated. The MMT modified TiO{sub 2} nanocomposites were dip-coated over monolith channels and were characterized by XRD, SEM, TEM, XPS, N{sub 2}-adsorptiondesorption and UVvis spectroscopy. The MMT produced anatase phase of TiO{sub 2} and reduced TiO{sub 2} crystallite size from 19 nm to 13 nm. CO was the major reduction product with a yield rate of 237.5 ?mol g-catal.{sup ?1} h{sup ?1} over 10 wt.% MMT-loaded TiO{sub 2} at 100 C, and CO{sub 2}/CH{sub 4} feed ratio 1.0. The photoactivity of MMT-loaded TiO{sub 2} monolithic catalyst was 2.52 times higher than bare TiO{sub 2}. Likewise, low concentrations of C{sub 2}H{sub 6}, CH{sub 3}OH, C{sub 3}H{sub 6} and C{sub 3}H{sub 8} were detected in the products mixture. These results inferred MMT modified TiO{sub 2} and monolith photoreactor were beneficial for enhancing photocatalysis process with appreciable productivity. The stability test revealed photoactivity of MMT-loaded TiO{sub 2} nanocomposites partially diminished in recycle runs.

  5. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

    SciTech Connect (OSTI)

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2015-01-01

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms, which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.

  6. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

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

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2015-01-01

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms,more » which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.« less

  7. Intermolecular potential energy surface and thermophysical properties of the CH{sub 4}N{sub 2} system

    SciTech Connect (OSTI)

    Hellmann, Robert Bich, Eckard; Vogel, Eckhard; Vesovic, Velisa

    2014-12-14

    A five-dimensional potential energy surface (PES) for the interaction of a rigid methane molecule with a rigid nitrogen molecule was determined from quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the CCSD(T) level of theory was utilized to compute a total of 743 points on the PES. The interaction energies were calculated using basis sets of up to quadruple-zeta quality with bond functions and were extrapolated to the complete basis set limit. An analytical site-site potential function with nine sites for methane and five sites for nitrogen was fitted to the interaction energies. The PES was validated by calculating the cross second virial coefficient as well as the shear viscosity and binary diffusion coefficient in the dilute-gas limit for CH{sub 4}N{sub 2} mixtures. An improved PES was obtained by adjusting a single parameter of the analytical potential function in such a way that quantitative agreement with the most accurate experimental values of the cross second virial coefficient was achieved. The transport property values obtained with the adjusted PES are in good agreement with the best experimental data.

  8. Thermogravimetric Analysis of Modified Hematite by Methane (CH{sub 4}) for Chemical-Looping Combustion: A Global Kinetics Mechanism

    SciTech Connect (OSTI)

    Monazam, Esmail R.; Breault, Ronald W.; Siriwardane, Ranjani; Miller, Duane D.

    2013-10-01

    Iron oxide (Fe{sub 2}O{sub 3}) or in its natural form (hematite) is a potential material to capture CO{sub 2} through the chemical-looping combustion (CLC) process. It is known that magnesium (Mg) is an effective methyl cleaving catalyst and as such it has been combined with hematite to assess any possible enhancement to the kinetic rate for the reduction of Fe{sub 2}O{sub 3} with methane. Therefore, in order to evaluate its effectiveness as a hematite additive, the behaviors of Mg-modified hematite samples (hematite 5% Mg(OH){sub 2}) have been analyzed with regard to assessing any enhancement to the kinetic rate process. The Mg-modified hematite was prepared by hydrothermal synthesis. The reactivity experiments were conducted in a thermogravimetric analyzer (TGA) using continuous stream of CH{sub 4} (5, 10, and 20%) at temperatures ranging from 700 to 825 {degrees}C over ten reduction cycles. The mass spectroscopy analysis of product gas indicated the presence of CO{sub 2}, H{sub 2}O, H{sub 2} and CO in the gaseous product. The kinetic data at reduction step obtained by isothermal experiments could be well fitted by two parallel rate equations. The modified hematite samples showed higher reactivity as compared to unmodified hematite samples during reduction at all investigated temperatures.

  9. The efficiency limit of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells

    SciTech Connect (OSTI)

    Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou; Choy, Wallace C. H.

    2015-06-01

    With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH{sub 3}NH{sub 3}PbI{sub 3}) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of Sun and experimentally measured complex refractive index of perovskite material are employed in the detailed balance model. The roles of light trapping and angular restriction in improving the maximal output power of thin-film perovskite solar cells are also clarified. The efficiency limit of perovskite cells (without the angular restriction) is about 31%, which approaches to Shockley-Queisser limit (33%) achievable by gallium arsenide (GaAs) cells. Moreover, the Shockley-Queisser limit could be reached with a 200 nm-thick perovskite solar cell, through integrating a wavelength-dependent angular-restriction design with a textured light-trapping structure. Additionally, the influence of the trap-assisted nonradiative recombination on the device efficiency is investigated. The work is fundamentally important to high-performance perovskite photovoltaics.

  10. The complete, temperature resolved experimental spectrum of methanol (CH{sub 3}OH) between 560 and 654 GHz

    SciTech Connect (OSTI)

    Fortman, Sarah M.; Neese, Christopher F.; De Lucia, Frank C.

    2014-02-20

    The complete spectrum of methanol (CH{sub 3}OH) has been characterized over a range of astrophysically significant temperatures in the 560.4-654.0 GHz spectral region. Absolute intensity calibration and analysis of 166 experimental spectra recorded over a slow 248-398 K temperature ramp provide a means for the simulation of the complete spectrum of methanol as a function of temperature. These results include contributions from v{sub t} = 3 and other higher states that are difficult to model via quantum mechanical (QM) techniques. They also contain contributions from the {sup 13}C isotopologue in terrestrial abundance. In contrast to our earlier work on semi-rigid species, such as ethyl cyanide and vinyl cyanide, significant intensity differences between these experimental values and those calculated by QM methods were found for many of the lines. Analysis of these differences shows the difficulty of the calculation of dipole matrix elements in the context of the internal rotation of the methanol molecule. These results are used to both provide catalogs in the usual line frequency, linestrength, and lower state energy format, as well as in a frequency point-by-point catalog that is particularly well suited for the characterization of blended lines.

  11. Intermolecular C?H bond activation of benzene and pyridines by a vanadium(III) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex

    SciTech Connect (OSTI)

    Andino, Jos G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.

    2012-01-20

    Breaking of the carbon-hydrogen bond of benzene and pyridine is observed with (PNP)V(CH{sub 2}tBu){sub 2} (1), and in the case of benzene, the formation of an intermediate benzyne complex (C) is proposed, and indirect proof of its intermediacy is provided by identification of (PNP)VO({eta}{sup 2}-C{sub 6}H{sub 4}) in combination with DFT calculations.

  12. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

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

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore »in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  13. Dissociative adsorption of CH{sub 3}X (X = Br and Cl) on a silicon(100) surface revisited by density functional theory

    SciTech Connect (OSTI)

    Wang, Chen-Guang; Huang, Kai E-mail: wji@ruc.edu.cn; Ji, Wei E-mail: wji@ruc.edu.cn

    2014-11-07

    During the dissociative adsorption on a solid surface, the substrate usually participates in a passive manner to accommodate fragments produced upon the cleavage of the internal bond(s) of a (transient) molecular adsorbate. This simple picture, however, neglects the flexibility of surface atoms. Here, we report a Density Functional Theory study to revisit our early studies of the dissociative adsorption of CH{sub 3}X (X = Br and Cl) on Si(100). We have identified a new reaction pathway, which involves a flip of a silicon dimer; this new pathway agrees better with experiments. For our main exemplar of CH{sub 3}Br, insights have been gained using a simple model that involves a three-atom reactive center, Br-C-Si. When the silicon dimer flips, the interaction between C and Si in the Br-C-Si center is enhanced, evident in the increased energy-split of the frontier orbitals. We also examine how the dissociation dynamics of CH{sub 3}Br is altered on a heterodimer (Si-Al, Si-P, and Si-Ge) in a Si(100) surface. In each case, we conclude, on the basis of computed reaction pathways, that no heterodimer flipping is involved before the system transverses the transition state to dissociative adsorption.

  14. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-04-21

    [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} has been studied by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and impedance spectroscopy. The [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} hybrid compound is crystallized at room temperature (T ? 300?K) in the orthorhombic system with Pnma space group. Five phase transitions (T{sub 1}?=?255?K, T{sub 2}?=?282?K, T{sub 3}?=?302?K, T{sub 4}?=?320?K, and T{sub 5}?=?346?K) have been proved by DSC measurements. The electrical technique was measured in the 10{sup ?1}-10{sup 7}?Hz frequency range and 233363?K temperature interval. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law. The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} is analyzed by different processes, which can be attributed to several models: the correlated barrier hopping model in phase I, the overlapping large polaron tunneling model in phase II, the quantum mechanical tunneling model in phase IV, and the non-overlapping small polaron tunneling model in phases III, V, and VI. The conduction mechanism is studied with the help of Elliot's theory, and the Elliot's parameters are determined.

  15. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-05-28

    The [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} single crystal has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and electrical impedance spectroscopy. [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} crystallizes at room temperature in the monoclinic system with P2{sub 1}/{sub C} space group. Three phase transitions at T{sub 1}?=?226?K, T{sub 2}?=?264?K, and T{sub 3}?=?297?K have been evidenced by DSC measurements. The electrical technique was measured in the 10{sup ?1}10{sup 7}?Hz frequency range and 203313?K temperature intervals. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law (developed). The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} compound is studied by two processes which can be attributed to a hopping transport mechanism: the correlated barrier hopping model in phases I, II, and III, the non-overlapping small polaron tunneling model in phase IV. The conduction mechanism is interpreted with the help of Elliot's theory, and the Elliot's parameters are found.

  16. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

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

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore » in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  17. Ultrafast dynamics of strong-field dissociative ionization ofCH2Br2 probed by femtosecond soft x-ray transient absorptionspectroscopy

    SciTech Connect (OSTI)

    Loh, Zhi-Heng; Leone, Stephen R.

    2008-01-15

    Femtosecond time-resolved soft x-ray transient absorption spectroscopy based on a high-order harmonic generation source is used to investigate the dissociative ionization of CH{sub 2}Br{sub 2} induced by 800 nm strong-field irradiation. At moderate peak intensities (2.0 x 10{sup 14} W/cm{sup 2}), strong-field ionization is accompanied by ultrafast C-Br bond dissociation, producing both neutral Br ({sup 2}P{sub 3/2}) and Br* ({sup 2}P{sub 1/2}) atoms together with the CH{sub 2}Br{sup +} fragment ion. The measured rise times for Br and Br* are 130 {+-} 22 fs and 74 {+-} 10 fs, respectively. The atomic bromine quantum state distribution shows that the Br/Br* population ratio is 8.1 {+-} 3.8 and that the Br {sup 2}P{sub 3/2} state is not aligned. The observed product distribution and the timescales of the photofragment appearances suggest that multiple field-dressed potential energy surfaces are involved in the dissociative ionization process. In addition, the transient absorption spectrum of CH{sub 2}Br{sub 2}{sup +} suggests that the alignment of the molecule relative to the polarization axis of the strong-field ionizing pulse determines the electronic symmetry of the resulting ion; alignment of the Br-Br, H-H, and C{sub 2} axis of the molecule along the polarization axis results in the production of the ion {tilde X}({sup 2}B{sub 2}), {tilde B}({sup 2}B{sub 1}) and {tilde C}({sup 2}A{sub 1}) states, respectively. At higher peak intensities (6.2 x 10{sup 14} W/cm{sup 2}), CH{sub 2}Br{sub 2}{sup +} undergoes sequential ionization to form the metastable CH{sub 2}Br{sub 2}{sup 2+} dication. These results demonstrate the potential of core-level probing with high-order harmonic transient absorption spectroscopy for studying ultrafast molecular dynamics.

  18. Pub-3000: CH45

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

    C. Transporting Hazardous Materials Work Process D. Berkeley Lab Chemical Management System (Chemical Inventory) Work Process E. Chemical Hazard Descriptions Work Process F....

  19. CH Packaging Program Guidance

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-02-28

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) 71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required.

  20. CH Packaging Program Guidance

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-04-25

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package TransporterModel II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant| (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations(CFR) 71.8. Any time a user suspects or has indications that the conditions ofapproval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required.In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted.

  1. CH Packaging Program Guidance

    SciTech Connect (OSTI)

    None, None

    2009-06-01

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) §71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required. In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted. This document provides the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  2. CH Packaging Program Guidance

    SciTech Connect (OSTI)

    None, None

    2008-09-11

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the pplication." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) §71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required. In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted. This document provides the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  3. CH Packaging Program Guidance

    SciTech Connect (OSTI)

    None, None

    2007-12-13

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) §71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required.In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted.

  4. CH Packaging Program Guidance

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-04-30

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: ''each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application.'' They further state: ''each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application.'' Chapter 9.0 of the SARP charges the WIPP management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with 10 CFR 71.11. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. CBFO will evaluate the issue and notify the NRC if required. This document provides the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  5. CH Packaging Program Guidance

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2002-03-04

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT Shipping Package, and directly related components. This document complies with the minimum requirements as specified in TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event there is a conflict between this document and the SARP or C of C, the SARP and/or C of C shall govern. C of Cs state: ''each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application.'' They further state: ''each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application.'' Chapter 9.0 of the SAR P charges the WIPP Management and Operation (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with 10 CFR 71.11. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. CBFO will evaluate the issue and notify the NRC if required. This document details the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize these operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  6. Electronic properties of binary and mixed [RMNH]{sub n} (R=H,CH{sub 3}, M=Al,Ga,In) oligomers

    SciTech Connect (OSTI)

    Oranskaya, A. A. Pomogaeva, A. V. Timoshkin, A. Y.

    2015-03-30

    Theoretical investigation of structural and electronic properties is presented for the rod-like oligomers R{sub 3}-[MRNH]{sub 3n}-H{sub 3} and [RMNH]{sub n+1} (M=Ga,Al,In R=H,CH{sub 3}) of different lengths. Electronic structures of the oligomers with and without substitutions of Ga atoms with Al or In were studied at DFT level of theory. Clusters up to 8 nm of length were considered. A type of terminal groups of the oligomers is found to have a dominant influence on their electronic properties.

  7. Assessment of Standard Force Field Models against High-Quality ab initio Potential Curves for Prototypes of pi-pi, CH/pi, and SH/pi Interactions

    SciTech Connect (OSTI)

    Sumpter, Bobby G; Sherrill, David; Sinnokrot, Mutasem O; Marshall, Michael S.; Hohenstein, Edward G.; Walker, Ross; Gould, Ian R

    2009-01-01

    Several popular force fields, namely, CHARMM, AMBER, OPLS-AA, and MM3, have been tested for their ability to reproduce highly accurate quantum mechani- cal potential energy curves for noncovalent interactions in the benzene dimer, the benzene-CH4 complex, and the benzene-H2S complex. All of the force fields are semi-quantitatively correct, but none of them is consistently reliable quantitatively. Re-optimization of Lennard-Jones parameters and symmetry-adapted perturbation theory analysis for the benzene dimer suggests that better agreement cannot be expected unless more flexible functional forms (particularly for the electrostatic contributions)are employed for the empirical force fields.

  8. Quasiclassical trajectory study of the effect of antisymmetric stretch mode excitation on the O({sup 3}P) + CH{sub 4}(ν{sub 3} = 1) → OH + CH{sub 3} reaction on an analytical potential energy surface. Comparison with experiment

    SciTech Connect (OSTI)

    Monge-Palacios, M.; González-Lavado, E.; Espinosa-Garcia, J.

    2014-09-07

    Motivated by a recent crossed-beam experiment on the title reaction reported by Pan and Liu [J. Chem. Phys. 140, 191101 (2014)], a detailed dynamics study was performed at three collision energies using quasiclassical trajectory (QCT) calculations based on a full-dimensional potential energy surface recently developed by our group (PES-2014). Although theory/experiment agreement is not yet quantitative, in general the theoretical results reproduce the experimental evidence: the vibrational branching ratio of OH(v = 1)/OH(v = 0) is ∼0.8/0.2, excitation of the antisymmetric CH stretching mode in methane increases reactivity by factor 2.28–1.50, although an equivalent amount as translational energy is more efficient in promoting the reaction and, finally, product angular distribution shifts from backward in the CH{sub 4}(ν = 0) ground-state to sideways when the antisymmetric CH stretching mode is excited. These results give confidence to the PES-2014 surface, depend on the quantization procedure used, are comparable with recent QCT calculations or improve previous theoretical studies using a different surface, and demonstrate the utility of the theory/experiment collaboration.

  9. Differentiation of O-H and C-H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments

    SciTech Connect (OSTI)

    Salciccioli, Michael [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Yu, Weiting [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Barteau, Mark A. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Chen, Jingguang G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Vlachos, Dionisios G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST)

    2011-05-25

    Understanding and controlling bond-breaking sequences of oxygenates on transition metal catalysts can greatly impact the utilization of biomass feedstocks for fuels and chemicals. The decomposition of ethylene glycol, as the simplest representative of biomass-derived polyols, was studied via density functional theory (DFT) calculations to identify the differences in reaction pathways between Pt and the more active Ni/Pt bimetallic catalyst. Comparison of the computed transition states indicated three potentially feasible paths from ethylene glycol to C1 oxygenated adsorbates on Pt. While not important on Pt, the pathway to 1,2-dioxyethylene (OCH?CH?O) is favored energetically on the Ni/Pt catalyst. Temperature-programmed desorption (TPD) experiments were conducted with deuterated ethylene glycols for comparison with DFT results. These experiments confirmed that decomposition of ethylene glycol on Pt proceeds via initial OH bond cleavage, followed by CH and the second OH bond cleavages, whereas on the Ni/Pt surface, both OH bonds are cleaved initially. The results are consistent with vibrational spectra and indicate that tuning of the catalyst surface can selectively control bond breaking. Finally, the significant mechanistic differences in decomposition of polyols compared to that of monoalcohols and hydrocarbons serve to identify general trends in bond scission sequences.

  10. Accurate high level ab initio-based global potential energy surface and dynamics calculations for ground state of CH{sub 2}{sup +}

    SciTech Connect (OSTI)

    Li, Y. Q.; Zhang, P. Y.; Han, K. L.

    2015-03-28

    A global many-body expansion potential energy surface is reported for the electronic ground state of CH{sub 2}{sup +} by fitting high level ab initio energies calculated at the multireference configuration interaction level with the aug-cc-pV6Z basis set. The topographical features of the new global potential energy surface are examined in detail and found to be in good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. In turn, in order to validate the potential energy surface, a test theoretical study of the reaction CH{sup +}(X{sup 1}Σ{sup +})+H({sup 2}S)→C{sup +}({sup 2}P)+H{sub 2}(X{sup 1}Σ{sub g}{sup +}) has been carried out with the method of time dependent wavepacket on the title potential energy surface. The total integral cross sections and the rate coefficients have been calculated; the results determined that the new potential energy surface can both be recommended for dynamics studies of any type and as building blocks for constructing the potential energy surfaces of larger C{sup +}/H containing systems.

  11. C-H surface diamond field effect transistors for high temperature (400 °C) and high voltage (500 V) operation

    SciTech Connect (OSTI)

    Kawarada, H.; Tsuboi, H.; Naruo, T.; Yamada, T.; Xu, D.; Daicho, A.; Saito, T.; Hiraiwa, A.

    2014-07-07

    By forming a highly stable Al{sub 2}O{sub 3} gate oxide on a C-H bonded channel of diamond, high-temperature, and high-voltage metal-oxide-semiconductor field-effect transistor (MOSFET) has been realized. From room temperature to 400 °C (673 K), the variation of maximum drain-current is within 30% at a given gate bias. The maximum breakdown voltage (V{sub B}) of the MOSFET without a field plate is 600 V at a gate-drain distance (L{sub GD}) of 7 μm. We fabricated some MOSFETs for which V{sub B}/L{sub GD} > 100 V/μm. These values are comparable to those of lateral SiC or GaN FETs. The Al{sub 2}O{sub 3} was deposited on the C-H surface by atomic layer deposition (ALD) at 450 °C using H{sub 2}O as an oxidant. The ALD at relatively high temperature results in stable p-type conduction and FET operation at 400 °C in vacuum. The drain current density and transconductance normalized by the gate width are almost constant from room temperature to 400 °C in vacuum and are about 10 times higher than those of boron-doped diamond FETs.

  12. Spectroscopic analysis of H{sub 2}/CH{sub 4} microwave plasma and fast growth rate of diamond single crystal

    SciTech Connect (OSTI)

    Derkaoui, N.; Rond, C. Hassouni, K.; Gicquel, A.

    2014-06-21

    One of the best ways to increase the diamond growth rate is to couple high microwave power to the plasma. Indeed, increasing the power density leads to increase gas temperature the atomic hydrogen density in the plasma bulk, and to produce more hydrogen and methyl at the diamond surface. Experimental and numerical approaches were used to study the microwave plasma under high power densities conditions. Gas temperature was measured by optical emission spectroscopy and H-atom density using actinometry. CH{sub 3}-radical density was obtained using a 1D model that describes temperatures and plasma composition from the substrate to the top of the reactor. The results show that gas temperature in the plasma bulk, atomic hydrogen, and methyl densities at the diamond surface highly increase with the power density. As a consequence, measurements have shown that diamond growth rate also increases. At very high power density, we measured a growth rate of 40??m/h with an H-atom density of 5 10{sup 17} cm{sup ?3} which corresponds to a H{sub 2} dissociation rate higher than 50%. Finally, we have shown that the growth rate can be framed between a lower and an upper limit as a function depending only on the maximum of H-atom density measured or calculated in the plasma bulk. The results also demonstrated that increasing fresh CH{sub 4} by an appropriate injection into the boundary layer is a potential way to increase the diamond growth rates.

  13. Influence of in-plane and bridging oxygen vacancies of SnO{sub 2} nanostructures on CH{sub 4} sensing at low operating temperatures

    SciTech Connect (OSTI)

    Bonu, Venkataramana Das, A. Prasad, Arun K.; Dhara, Sandip; Tyagi, A. K.; Krishna, Nanda Gopala

    2014-12-15

    Role of O defects in sensing pollutant with nanostructured SnO{sub 2} is not well understood, especially at low temperatures. SnO{sub 2} nanoparticles were grown by soft chemistry route followed by subsequent annealing treatment under specific conditions. Nanowires were grown by chemical vapor deposition technique. A systematic photoluminescence (PL) investigation of O defects in SnO{sub 2} nanostructures revealed a strong correlation between shallow donors created by the in-plane and the bridging O vacancies and gas sensing at low temperatures. These SnO{sub 2} nanostructures detected methane (CH{sub 4}), a reducing and green house gas at a low temperature of 50?C. Response of CH{sub 4} was found to be strongly dependent on surface defect in comparison to surface to volume ratio. Control over O vacancies during the synthesis of SnO{sub 2} nanomaterials, as supported by X-ray photoelectron spectroscopy and subsequent elucidation for low temperature sensing are demonstrated.

  14. FBP-ER-RIFS-BG-PLN-0036 Rev. 6 1 DOE/PPPO/03-0383&D4

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

    ... districts and other organizations using traveling displays and other historic information. ... would present no specific short-term threats or benefits to the community or workers. ...

  15. Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La1.65Sr0.45CuO4/La2CuO4 films and the organic superconductors κ-(BEDT-TTF)2Cu[N(CN)2]Br

    SciTech Connect (OSTI)

    V. A. Gasparov; Bozovic, I.; He, Xi; Dubuis, G.; Pavuna, D.; Kushch, N. D.; Yagubskii, E. B.; Schlueter, J. A.

    2015-09-01

    In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La1.65Sr0.45CuO4) and a cuprate insulator (La2CuO4), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF)2Cu[N(CN)2]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz using either two-coil mutual inductance technique, or the LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, Lk–1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.

  16. Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La1.65Sr0.45CuO4/La2CuO4 films and the organic superconductors κ-(BEDT-TTF)2Cu[N(CN)2]Br

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

    V. A. Gasparov; Bozovic, I.; He, Xi; Dubuis, G.; Pavuna, D.; Kushch, N. D.; Yagubskii, E. B.; Schlueter, J. A.

    2015-09-01

    In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La1.65Sr0.45CuO4) and a cuprate insulator (La2CuO4), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF)2Cu[N(CN)2]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz using either two-coil mutual inductance technique, or themore » LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, Lk–1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.« less

  17. EA-161-A_Duke_Energy_Indiana_CN.pdf

    Energy Savers [EERE]

  18. EA-185-C_Morgan_Stanley_CN.pdf

    Energy Savers [EERE]

  19. EA-196-D Minnesota Power (CN).pdf

    Energy Savers [EERE]

  20. EA-210-C PPL EnergyPlus CN.pdf

    Energy Savers [EERE]

  1. EA-339-A Shell Energy (CN).pdf

    Energy Savers [EERE]

  2. EA-344-A_Twin_Cities_Recission_CN.pdf

    Energy Savers [EERE]

  3. EA-351_DC_Energy_Dakota_CN.pdf

    Energy Savers [EERE]

  4. EA-358_Twin_Cities_Energy_CN.pdf

    Energy Savers [EERE]

  5. EA-359-A Castleton Commodities (CN) Name Change.pdf

    Energy Savers [EERE]

  6. EA-359-B Castleton Commodiities (CN).pdf

    Energy Savers [EERE]

  7. EA-364-A Noble Americas CN.pdf

    Energy Savers [EERE]

  8. EA-365-A Centre Lane (CN).pdf

    Energy Savers [EERE]

  9. EA-367-A EDF Trading (CN).pdf

    Energy Savers [EERE]

  10. EA-368-A Brookfield Energy (CN).pdf

    Energy Savers [EERE]

  11. EA-389 Great Bay Energy (CN).pdf

    Energy Savers [EERE]

  12. EA-411 Targray Americas FRN (CN).pdf

    Energy Savers [EERE]

  13. EA-416 Consolidated Edison Energy (CN).pdf

    Energy Savers [EERE]

  14. Qualifying composition dependent p and n self-doping in CH{sub 3}NH{sub 3}PbI{sub 3}

    SciTech Connect (OSTI)

    Wang, Qi; Shao, Yuchuan; Huang, Jinsong; Xie, Haipeng; Lyu, Lu; Liu, Xiaoliang; Gao, Yongli

    2014-10-20

    We report the observation of self-doping in perovskite. CH{sub 3}NH{sub 3}PbI{sub 3} was found to be either n- or p-doped by changing the ratio of methylammonium halide (MAI) and lead iodine (PbI{sub 2}) which are the two precursors for perovskite formation. MAI-rich and PbI{sub 2}-rich perovskite films are p and n self-doped, respectively. Thermal annealing can convert the p-type perovskite to n-type by removing MAI. The carrier concentration varied as much as six orders of magnitude. A clear correlation between doping level and device performance was also observed.

  15. Simplification of femtosecond transient absorption microscopy data from CH3NH3PbI3 perovskite thin films into decay associated amplitude maps

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

    Doughty, Benjamin; Simpson, Mary Jane; Yang, Bin; Xiao, Kai; Ma, Ying -Zhong

    2016-02-16

    This work aims to simplify multi-dimensional femtosecond transient absorption microscopy (TAM) data into decay associated amplitude maps that describe the spatial distributions of dynamical processes occurring on various characteristic timescales. Application of this method to TAM data obtained from a model methyl-ammonium lead iodide (CH3NH3PbI3) perovskite thin film allows us to simplify the dataset consisting of a 68 time-resolved images into 4 decay associated amplitude maps. These maps provide a simple means to visualize the complex electronic excited-state dynamics in this system by separating distinct dynamical processes evolving on characteristic timescales into individual spatial images. This approach provides new insightmore » into subtle aspects of ultrafast relaxation dynamics associated with excitons and charge carriers in the perovskite thin film, which have recently been found to coexist at spatially distinct locations.« less

  16. Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}

    SciTech Connect (OSTI)

    Coudert, L. H.; Zemouli, M.; Motiyenko, R. A.; Marguls, L.; Klee, S.

    2014-02-14

    The first theoretical approach aimed at accounting for the energy levels of a non-rigid molecule displaying asymmetric-top asymmetric-frame internal rotation is developed. It is applied to a line position analysis of the high-resolution spectrum of the non-rigid CH{sub 2}DOH molecule and allows us to carry out a global analysis of a data set consisting of already available data and of microwave and far infrared transitions measured in this work. The analysis is restricted to the three lowest lying torsional levels (e{sub 0}, e{sub 1}, and o{sub 1}), to K ? 11, and to J ? 26. For the 8211 fitted lines, the unitless standard deviation is 2.4 and 103 parameters are determined including kinetic energy, hindering potential, and distortion effects parameters.

  17. Origin and elimination of photocurrent hysteresis by fullerene passivation in CH3NH3PbI3 planar heterojunction solar cells

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

    Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Yuan, Yongbo; Huang, Jinsong

    2014-12-15

    The large photocurrent hysteresis observed in many organometal trihalide perovskite solar cells has become a major hindrance impairing the ultimate performance and stability of these devices, while its origin was unknown. Here we demonstrate the trap states on the surface and grain boundaries of the perovskite materials to be the origin of photocurrent hysteresis and that the fullerene layers deposited on perovskites can effectively passivate these charge trap states and eliminate the notorious photocurrent hysteresis. Fullerenes deposited on the top of the perovskites reduce the trap density by two orders of magnitude and double the power conversion efficiency of CH3NH3PbI3more » solar cells. As a result, the elucidation of the origin of photocurrent hysteresis and its elimination by trap passivation in perovskite solar cells provides important directions for future enhancements to device efficiency.« less

  18. DOE-HDBK-1145-2013 | Department of Energy

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

    This Handbook describes an implementation process for training as recommended in Implementation Guide G 441.1-1C, CH1, May 2008 and as outlined in DOE-STD-1098-2008, CN1, May 2009, ...

  19. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    with an exchangeable proton is eventually formed We have determined the bond dissociation free energy and pKa of the new O H bond in to be kcal mol and respectively in CH CN...

  20. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Quarterly Report.

    SciTech Connect (OSTI)

    Wang, Yifeng

    2015-10-27

    This project focuses on the systematic study of CH4-CO2-H2O interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help to develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.

  1. The attractive quartet potential energy surface for the CH(a{sup 4}{sigma}{sup {minus}}) + CO reaction: A role for the a {sup 4}A`` state of the ketenyl radical in combustion?

    SciTech Connect (OSTI)

    Schaefer, H.F. III

    1993-12-01

    Ab initio quantum mechanical techniques, including the self-consistent field (SCF), single and double excitation configuration interaction (CISD), single and double excitation double cluster (CCSD), and the single, double and perturbative triple excitation coupled cluster [CCSD(T)] methods have been applied to study the HCCO(a {sup 4}A{open_quotes}) energy hypersurface. Rate constant measurements suggest an attractive potential for the reaction of CH(a {sup 4}{sigma}{sup -}) with CO, and a vanishingly small energy barrier is predicted here in the CH(a {sup 4}{sigma}{sup -}) + CO reaction channel. The {sup 4}A{open_quotes} state of HCCO is predicted to be bound by about 30 kcal/mol with respect to separated CH(a {sup 4}{sigma}{sup -}) + CO. The authors propose that a spin-forbidden electronic deactivation of CH(a {sup 4}{sigma}{sup -}) might occur through through an intersystem crossing involving the {sup 4}A{open_quotes} state of HCCO. The energetics and the geometries of the reactants and products on both quartet and doublet energy surfaces are presented. The relationship between this research and experimental combustion chemistry has been explored.

  2. Quantum cascade laser investigations of CH{sub 4} and C{sub 2}H{sub 2} interconversion in hydrocarbon/H{sub 2} gas mixtures during microwave plasma enhanced chemical vapor deposition of diamond

    SciTech Connect (OSTI)

    Ma Jie; Cheesman, Andrew; Ashfold, Michael N. R.; Hay, Kenneth G.; Wright, Stephen; Langford, Nigel; Duxbury, Geoffrey; Mankelevich, Yuri A.

    2009-08-01

    CH{sub 4} and C{sub 2}H{sub 2} molecules (and their interconversion) in hydrocarbon/rare gas/H{sub 2} gas mixtures in a microwave reactor used for plasma enhanced diamond chemical vapor deposition (CVD) have been investigated by line-of-sight infrared absorption spectroscopy in the wavenumber range of 1276.5-1273.1 cm{sup -1} using a quantum cascade laser spectrometer. Parameters explored include process conditions [pressure, input power, source hydrocarbon, rare gas (Ar or Ne), input gas mixing ratio], height (z) above the substrate, and time (t) after addition of hydrocarbon to a pre-existing Ar/H{sub 2} plasma. The line integrated absorptions so obtained have been converted to species number densities by reference to the companion two-dimensional (r,z) modeling of the CVD reactor described in Mankelevich et al. [J. Appl. Phys. 104, 113304 (2008)]. The gas temperature distribution within the reactor ensures that the measured absorptions are dominated by CH{sub 4} and C{sub 2}H{sub 2} molecules in the cool periphery of the reactor. Nonetheless, the measurements prove to be of enormous value in testing, tensioning, and confirming the model predictions. Under standard process conditions, the study confirms that all hydrocarbon source gases investigated (methane, acetylene, ethane, propyne, propane, and butane) are converted into a mixture dominated by CH{sub 4} and C{sub 2}H{sub 2}. The interconversion between these two species is highly dependent on the local gas temperature and the H atom number density, and thus on position within the reactor. CH{sub 4}->C{sub 2}H{sub 2} conversion occurs most efficiently in an annular shell around the central plasma (characterized by 1400CH{sub 4} is favored in the more distant regions where T{sub gas}<1400 K. Analysis of the multistep interconversion mechanism reveals substantial net consumption of H atoms accompanying the CH{sub 4}->C{sub 2}H{sub 2} conversion, whereas the reverse C{sub 2}H{sub 2}->CH{sub 4} process only requires H atoms to drive the reactions; H atoms are not consumed by the overall conversion.

  3. High-Pressure Synchtron Radiation X-Ray Diffraction Studies of Pentaerythritol Tetranitrate C(CH[subscript 2]ONO[subscript 2 ])[subscript 4

    SciTech Connect (OSTI)

    Lipinska-Kalita, K.E.; Pravica, M.; Nicol, M.

    2006-02-02

    A high-pressure x-ray diffraction study of nanocrystalline pentaerythritol tetranitrate, C(CH{sub 2}ONO{sub 2}){sub 4}, (PETN), has been performed in a diamond-anvil cell at ambient temperature using synchrotron radiation. Pressure-induced alterations in the profiles of the diffraction lines, including their positions, widths and intensities were followed up to 30 GPa in a compressino cycle. The spectral changes in the diffraction patterns at low pressures indicated continuous densification of the tetragonal structure (space group P{bar 4}2{sub 1}c). The diffraction patterns confirmed that PETN compressed from ambient pressure to 7.4 GPa by 17%. At 8.2 GPa and above, several new diffraction lines appeared in the patterns. These lines suggest that the lattice undergoes an incomplete stress-induced structural transformation from the tetragonal to an orthorhombic structure (most probably space group P2{sub 1}22{sub 1}). The mixture of both structures appeared to persist to 30 GPa. The progressive broadening of the diffraction lines as the pressure increased beyond 10 GPa is attributed to the combined diffraction lines of a mixture of two coexisting PETN phases and inhomogeneous pressure distribution within the sample.

  4. Survey of DOE NDA practices for CH-Tru waste certification--illustrated with a greater than 10,000 drum NDA data base

    SciTech Connect (OSTI)

    Schultz, F.J.; Caldwell, J.T.; Smith, J.R.

    1988-01-01

    We have compiled a greater than 10,000 CH-TRU waste drum data base from seven DOE sites which have utilized such multiple NDA measurements within the past few years. Most of these nondestructive assay (NDA) technique assay result comparisons have been performed on well-characterized, segregated waste categories such as cemented sludges, combustibles, metals, graphite residues, glasses, etc., with well-known plutonium isotopic compositions. Waste segregation and categorization practices vary from one DOE site to another. Perhaps the most systematic approach has been in use for several years at the Rocky Flats Plant (RFP), operated by Rockwell International, and located near Golden, Colorado. Most of the drum assays in our data base result from assays of RFP wastes, with comparisons available between the original RFP assays and PAN assays performed independently at the Idaho National Engineering Laboratory (INEL) Solid Waste Examination Pilot Plant (SWEPP) facility. Most of the RFP assays were performed with hyperpure germanium (HPGe)-based SGS assay units. However, at least one very important waste category, processed first-stage sludges, is assayed at RFP using a sludge batch-sampling procedure, prior to filling of the waste drums. 5 refs., 5 figs.

  5. HIGH-RESOLUTION EXPANDED VERY LARGE ARRAY IMAGE OF DIMETHYL ETHER (CH{sub 3}){sub 2}O IN ORION-KL

    SciTech Connect (OSTI)

    Favre, C.; Wootten, H. A.; Remijan, A. J.; Brouillet, N.; Despois, D.; Baudry, A.; Wilson, T. L. E-mail: brouillet@obs.u-bordeaux1.fr E-mail: baudry@obs.u-bordeaux1.fr E-mail: aremijan@nrao.edu

    2011-09-20

    We report the first subarcsecond (0.''65 x 0.''51) image of the dimethyl ether molecule, (CH{sub 3}){sub 2}O, toward the Orion Kleinmann-Low nebula. The observations were carried at 43.4 GHz with the Expanded Very Large Array (EVLA). The distribution of the lower energy transition 6{sub 1,5}-6{sub 0,6}, EE (E {sub u} = 21 K) mapped in this study is in excellent agreement with the published dimethyl ether emission maps imaged with a lower resolution. The main emission peaks are observed toward the Compact Ridge and Hot Core southwest components, at the northern parts of the Compact Ridge and in an intermediate position between the Compact Ridge and the Hot Core. A notable result is that the distribution of dimethyl ether is very similar to that of another important larger O-bearing species, the methyl formate (HCOOCH{sub 3}), imaged at a lower resolution. Our study shows that higher spectral resolution (WIDAR correlator) and increased spectral coverage provided by the EVLA offer new possibilities for imaging complex molecular species. The sensitivity improvement and the other EVLA improvements make this instrument well suited for high sensitivity, high angular resolution, and molecular line imaging.

  6. Solid-state chemistry of molecular metal oxide clusters. Multiple, sequential C-H activation processes in the hydrogenation of coordinated cyclooctene. Lattice mobility of small organic molecules

    SciTech Connect (OSTI)

    Siedle, A.R.; Newmark, R.A.; Sahyun, M.R.V.; Lyon, P.A.; Hunt, S.L.; Skarjune, R.P. )

    1989-10-25

    Reaction of solid ((Ph{sub 3}P){sub 2}Ir(C{sub 8}H{sub 12})){sub 3}PW{sub 12}O{sub 40} with D{sub 2} gas produces cyclooctane containing up to 16 deuterium atoms. The c-C{sub 8}D{sub n}H{sub 16-n} isotopomer distribution is analyzed by Poisson statistics and interpreted in terms of C-H activation involving Ir-D-C-H exchange in an intermediate species containing coordinated cyclooctene. The results are compared with those from D{sub 2} reduction of ((Ph{sub 3}P){sub 2}Ir(C{sub 8}H{sub 12}))(PF{sub 6}) in the solid state and in acetone solution, in which cases, an additional exchange process operates. Solid-state {sup 2}H NMR shows that, even at low temperatures, small organic molecules such as cyclooctane and benzene undergo nearly isotropic motion.

  7. The complete, temperature resolved experimental spectrum of methanol (CH{sub 3}OH) between 214.6 and 265.4 GHz

    SciTech Connect (OSTI)

    McMillan, James P.; Fortman, Sarah M.; Neese, Christopher F.; De Lucia, Frank C.

    2014-11-01

    The spectrum of methanol (CH{sub 3}OH) has been characterized between 214.6 and 265.4 GHz for astrophysically significant temperatures. Four hundred and eighty-six spectra with absolute intensity calibration recorded between 240 and 389 K provided a means for the calculation of the complete experimental spectrum (CES) of methanol as a function of temperature. The CES includes contributions from v{sub t} = 3 and other higher states that are difficult to model quantum mechanically (QM). It also includes the spectrum of the {sup 13}C isotopologue in terrestrial abundance. In general the QM models provide frequencies that are within 1 MHz of their experimental values, but there are several outliers that differ by tens of MHz. As in our recent work on methanol in the 560-654 GHz region, significant intensity differences between our experimental intensities and cataloged values were found. In this work these differences are explored in the context of several QM analyses. The experimental results presented here are analyzed to provide a frequency point-by-point catalog that is well suited for the simulation of crowded and overlapped spectra. Additionally, a catalog in the usual line frequency, line strength, and lower state energy format is provided.

  8. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

    SciTech Connect (OSTI)

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.

  9. Microsoft Word - Ch 1-Ch9-umai-thesis.doc

    Office of Scientific and Technical Information (OSTI)

    in Biomineralization 50 iii 2.7.5.2. Biopolymers in biomineralization 52 2.8. Biomedical ... advantage over the naturally occurring biopolymers, due to the flexibility in designing ...

  10. Microsoft Word - Ch 1-Ch9-umai-thesis.doc

    Office of Scientific and Technical Information (OSTI)

    ... as the tobacco mosaic virus, collagen, capsid 116, tubulin117, or actin118, 119. ... and dimensionalities were obtained with DNA 180-183, virus 184 and peptides 179. ...

  11. Ch 17 BMPs Mitigation Measures

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

    7 This page intentionally left blank Nationwide Public Safety Broadband Network Draft Programmatic Environmental Impact Statement for the Eastern United States VOLUME 15 - CHAPTER 17 April 2016 First Responder Network Authority Amanda Goebel Pereira, AICP NEPA Coordinator First Responder Network Authority U.S. Department of Commerce 12201 Sunrise Valley Dr. M/S 243 Reston, VA 20192 Cooperating Agencies Federal Communications Commission General Services Administration U.S. Department of

  12. ch07wrkg.doc

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

    responsible for translating system performance requirements into design choices for the LCLS technical systems. Heshe is also responsible for control of cost and schedule, quality...

  13. ch1_General_Info

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

    D R A F T E N V I R O N ME N T A L A S S E S S ME N T f o r t h e P h y c a l A l g a e P i l o t P r o j e c t Wa h i a w a a n d K a l a e l o a , H I A u g u s t 2 0 1 1 D O E / E A - 1 8 2 9 D P r e p a r e d f o r : D e p a r t m e n t o f E n e r g y N a t i o n a l E n e r g y T e c h n o l o g y L a b o r a t o r y D R A F T E N V I R O N ME N T A L A S S E S S ME N T f o r t h e P h y c a l A l g a e P i l o t P r o j e c t Wa h i a w a a n d K a l a e l o a , H I A u g u s t 2 0 1 1 D

  14. Ch 17 BMPs Mitigation Measures

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

    ... and include description of work practice controls and administrative control; * ... within health-protective levels for communities and workers, and as required, that ...

  15. LCLS_CDR-ch06

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

    6 Injector TECHNICAL SYNOPSIS The injector for the LCLS is required to produce a single 150-MeV bunch of charge 1.0 nC and 100 A peak current at a repetition rate of 120 Hz with a normalized rms transverse emittance of 1.0 µm. The required emittance is about a factor of 2 lower than has been achieved to date. The design employs a solenoidal field near the cathode of a specially designed rf photocathode gun that allows the initial emittance growth due to space charge to be almost completely

  16. LCLS_CDR-ch10

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

    0 0 Conventional Facilities TECHNICAL SYNOPSIS The LCLS takes advantage of the existing infrastructure at SLAC. It uses the last third of the existing 3 km linac including the existing enclosure and utilities. A new injector will be installed at sector 20 in the Off-Axis Injector Tunnel. This branch tunnel was constructed as part of the original construction at SLAC in the 1960s for just such an injector. The existing linac equipment including the klystrons and modulators will be used. The

  17. ch1_General_Info

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

    ... quality and greenhouse gas, noise, geology and soils, ... of Hawaii Department of Land and Natural Resources DNA ... responsive to the requirements of the FOA. In ...

  18. ARM - Datastreams - nfov2ch

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

    Observatory, Nainital, Uttarkhand, India; AMF1 retired PVC M1 Browse Data Browse Plots Highland Center, Cape Cod MA; AMF1 retired PYE M1 Browse Data Browse Plots Point Reyes, CA...

  19. CH-TRAMPAC Rev. 4

    Office of Environmental Management (EM)

    Days Factsheet CEMI Days Factsheet PDF icon CEMI Days factsheet.pdf More Documents & Publications Introduction to CEMI Fact Sheet Amped Up! Volume 1, No.2 CEMI Southeast Regional Summit Agenda Manufacturing | Department of Energy

    CEMI Is Working with Industry to Make the U.S. the Leader in Clean Energy Manufacturing CEMI Is Working with Industry to Make the U.S. the Leader in Clean Energy Manufacturing December 16, 2015 - 3:35pm Addthis CEMI Is Working with Industry to Make the U.S.

  20. Structureproperty relations of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}2H{sub 2}O

    SciTech Connect (OSTI)

    Hausshl, Eiken; Schreuer, Jrgen; Wiehl, Leonore; Paulsen, Natalia

    2014-04-01

    Large single crystals of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}2H{sub 2}O with dimensions up to 404030 mm{sup 3} were grown from aqueous solutions. The elastic and piezoelastic coefficients were derived from ultrasonic resonance frequencies and their shifts upon variation of pressure, respectively, using the plate-resonance technique. Additionally, the coefficients of thermal expansion were determined between 95 K and 305 K by dilatometry. The elastic behaviour at ambient conditions is dominated by the 2-dimensional network of strong hydrogen bonds within the (001) plane leading to a corresponding pseudo-tetragonal anisotropy of the longitudinal elastic stiffness. The variation of elastic properties with pressure, however, as well as the thermal expansion shows strong deviations from the pseudo-tetragonal symmetry. These deviations are probably correlated with tilts of the elongated tri-nuclear betaineCuCl{sub 2}water complexes. Neither the thermal expansion nor the specific heat capacity gives any hint on a phase transition in the investigated temperature range. - Graphical abstract: Single crystal of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}2H{sub 2}O. - Highlights: Large single crystals (40 40 30 mm{sup 3}) of [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}2H{sub 2}O were grown. The elastic and piezoelastic coefficients were derived from ultrasonic resonance frequencies. Thermal expansion (95 K305 K) and heat capacity (113 K323 K) were determined. The orthorhombic structure shows pseudo-tetragonal elastic anisotropy at ambient conditions. The crystal structure is stable in the investigated range (11600 bar, 95303 K)

  1. Electronic state spectroscopy of diiodomethane (CH{sub 2}I{sub 2}): Experimental and computational studies in the 30?00095?000 cm{sup ?1} region

    SciTech Connect (OSTI)

    Mandal, Anuvab; Jagatap, B. N.; Singh, Param Jeet; Shastri, Aparna

    2014-05-21

    The electronic absorption spectrum of diiodomethane in the 30?00095?000 cm{sup ?1} region is investigated using synchrotron radiation; the spectrum in the 50?00066?500 cm{sup ?1} region is reported for the first time. The absorption bands in the 30?00050?000 cm{sup ?1} region are attributed to valence transitions, while the vacuum ultraviolet (VUV) spectrum (50?00095?000 cm{sup ?1}) is dominated by several Rydberg series converging to the first four ionization potentials of CH{sub 2}I{sub 2} at 9.46, 9.76, 10.21, and 10.56 eV corresponding to the removal of an electron from the outermost 3b{sub 2}, 2b{sub 1}, 1a{sub 2}, and 4a{sub 1} non-bonding orbitals, respectively. Rydberg series of ns, np, and nd type converging to each of the four ionization potentials are assigned based on a quantum defect analysis. Time dependent density functional theory calculations of excited states support the analysis and help in interpretation of the Rydberg and valence nature of observed transitions. Density functional theory calculations of the neutral and ionic ground state geometries and vibrational frequencies are used to assign the observed vibronic structure. Vibronic features accompanying the Rydberg series are mainly due to excitation of the C-I symmetric stretch (?{sub 3}) and CH{sub 2} wag (?{sub 8}) modes, with smaller contributions from the C-H symmetric stretch (?{sub 1}). UV absorption bands are assigned to low lying valence states 1{sup 1}B{sub 2}, 1{sup 1}B{sub 1}, 2{sup 1}A{sub 1}, 3{sup 1}A{sub 1}, 2{sup 1}B{sub 1}, and 2{sup 1}B{sub 2} and the unusually high underlying intensity in parts of the VUV spectrum is attributed to valence states with high oscillator strength. This is the first report of a comprehensive Rydberg series and vibronic analysis of the VUV absorption spectrum of CH{sub 2}I{sub 2} in the 50?00085?000 cm{sup ?1} region. The VUV absorption spectrum of CD{sub 2}I{sub 2} which serves to verify and consolidate spectral assignments is also reported here for the first time.

  2. Searches for heavy Higgs bosons in two-Higgs-doublet models and for t ? ch decay using multilepton and diphoton final states in pp collisions at 8 TeV

    SciTech Connect (OSTI)

    Khachatryan, V.; et al.,

    2014-12-01

    Searches are presented for heavy scalar (H) and pseudoscalar (A) Higgs bosons posited in the two doublet model (2HDM) extensions of the standard model (SM). These searches are based on a data sample of pp collisions collected with the CMS experiment at the LHC at a center-of-mass energy of ?s = 8 TeV and corresponding to an integrated luminosity of 19.5 fb -1. The decays H ? hh and A ? Zh, where h denotes an SM-like Higgs boson, lead to events with three or more isolated charged leptons or with a photon pair accompanied by one or more isolated leptons. The search results are presented in terms of the H and A production cross sections times branching fractions and are further interpreted in terms of 2HDM parameters. We place 95% CL cross section upper limits of approximately 7 pb on ?? for H ? hh and 2 pb for A ? Zh. Also presented are the results of a search for the rare decay of the top quark that results in a charm quark and an SM Higgs boson, t ? ch, the existence of which would indicate a nonzero flavor-changing Yukawa coupling of the top quark to the Higgs boson. We place a 95% CL upper limit of 0.56% on B(t ? ch).

  3. H{sub 2}(v = 0,1) + C{sup +}({sup 2} P) {yields} H+CH{sup +} STATE-TO-STATE RATE CONSTANTS FOR CHEMICAL PUMPING MODELS IN ASTROPHYSICAL MEDIA

    SciTech Connect (OSTI)

    Zanchet, Alexandre; Bulut, Niyazi; Roncero, Octavio; Godard, B.; Cernicharo, Jose; Halvick, Philippe

    2013-04-01

    State-to-state rate constants for the title reaction are calculated using the electronic ground state potential energy surface and an accurate quantum wave-packet method. The calculations are performed for H{sub 2} in different rovibrational states, v = 0, 1 and J = 0 and 1. The simulated reaction cross section for v = 0 shows a rather good agreement with the experimental results of Gerlich et al., both with a threshold of 0.36 eV and within the experimental error of 20%. The total reaction rate coefficients simulated for v = 1 are two times smaller than those estimated by Hierl et al. from cross sections measured at different temperatures and neglecting the contribution from v > 1 with an uncertainty factor of two. Thus, part of the disagreement is attributed to the contributions of v > 1. The computed state-to-state rate coefficients are used in our radiative transfer model code applied to the conditions of the Orion Bar photodissociation region, and leads to an increase of the line fluxes of high-J lines of CH{sup +}. This result partially explains the discrepancies previously found with measurements and demonstrates that CH{sup +} excitation is mostly driven by chemical pumping.

  4. Template:FlexiBlock | Open Energy Information

    Open Energy Info (EERE)

    (654px wide instead of 314px) Background: nobg bg-green bg-grey bg-orange bg-pink bg-red bg-purple bg-purple-grey Custom: custom-flite-widget (helps format FLITE widgets with...

  5. Preliminary assessment report for Bee Caves Armory (former Nike BG-80 Fire Control Facility), Installation 48055, Austin, Texas. Installation Restoration Program

    SciTech Connect (OSTI)

    Dennis, C.

    1993-08-01

    This report presents the results of the preliminary assessment (PA) conducted by Argonne National Laboratory at the Texas Army National Guard (ARNG) property in Austin, Texas. Preliminary assessments of federal facilities are being conducted to compile the information necessary for completing, preremedial activities and to provide a basis for establishing corrective actions in response to releases of hazardous substances. The principal objective of the PA is to characterize the site accurately and determine the need for further action by examining, site activities, quantities of hazardous substances present, and potential pathways by which contamination could affect public health and the environment. This PA satisfies, for the Bee Caves Armory property, the requirements of the Department of Defense Installation Restoration Program. Of concern is the potential for hazardous waste to be present on the property as a result of the former Nike Missile Base operations or in the form of original construction materials. Environmentally sensitive operations associated with the property from that period include (1) underground fuel storage, (2) hazardous materials storage/use, (3) disposal of hazardous waste and (4) release of hazardous waste water.

  6. Origin and elimination of photocurrent hysteresis by fullerene passivation in CH3NH3PbI3 planar heterojunction solar cells

    SciTech Connect (OSTI)

    Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Yuan, Yongbo; Huang, Jinsong

    2014-12-15

    The large photocurrent hysteresis observed in many organometal trihalide perovskite solar cells has become a major hindrance impairing the ultimate performance and stability of these devices, while its origin was unknown. Here we demonstrate the trap states on the surface and grain boundaries of the perovskite materials to be the origin of photocurrent hysteresis and that the fullerene layers deposited on perovskites can effectively passivate these charge trap states and eliminate the notorious photocurrent hysteresis. Fullerenes deposited on the top of the perovskites reduce the trap density by two orders of magnitude and double the power conversion efficiency of CH3NH3PbI3 solar cells. As a result, the elucidation of the origin of photocurrent hysteresis and its elimination by trap passivation in perovskite solar cells provides important directions for future enhancements to device efficiency.

  7. HIGHLY DEPLETED ETHANE AND MILDLY DEPLETED METHANOL IN COMET 21P/GIACOBINI-ZINNER: APPLICATION OF A NEW EMPIRICAL {nu}{sub 2}-BAND MODEL FOR CH{sub 3}OH NEAR 50 K

    SciTech Connect (OSTI)

    DiSanti, M. A.; Bonev, B. P.; Villanueva, G. L.; Mumma, M. J.

    2013-01-20

    We obtained infrared spectra of Comet 21P/Giacobini-Zinner (hereafter 21P/GZ) using NIRSPEC at Keck II on UT 2005 June 3, approximately one month before perihelion, that simultaneously sampled H{sub 2}O, C{sub 2}H{sub 6}, and CH{sub 3}OH. Our production rate for H{sub 2}O (3.885 {+-} 0.074 Multiplication-Sign 10{sup 28} molecules s{sup -1}) was consistent with that measured during other apparitions of 21P/GZ as retrieved from optical, infrared, and radio observations. Our analysis also provided values for rotational temperature (T {sub rot} = 51 {+-} 3 K) and the abundance ratio of ortho and para spin populations for water (OPR = 2.99 {+-} 0.23, implying a spin temperature exceeding 50 K). Six Q-branches in the {nu}{sub 7} band of C{sub 2}H{sub 6} provided a production rate (5.27 {+-} 0.90 Multiplication-Sign 10{sup 25} s{sup -1}) that corresponded to an abundance ratio of 0.136 {+-} 0.023 Multiplication-Sign 10{sup -2} relative to H{sub 2}O, confirming the previously reported strong depletion of C{sub 2}H{sub 6} from IR observations during the 1998 apparition, and in qualitative agreement with the depletion of C{sub 2} known from optical studies of 21P/GZ. For CH{sub 3}OH, we applied our recently published quantum model for the {nu}{sub 3} band to obtain a rotational temperature (48{sup +10}/{sub -7} K) consistent with that obtained for H{sub 2}O. In addition, we developed a new empirical model for the CH{sub 3}OH {nu}{sub 2} band, based on observations of Comet 8P/Tuttle with NIRSPEC. The application of our {nu}{sub 2} model to 21P/GZ yielded a production rate in agreement with that obtained from the {nu}{sub 3} band. Combining results from both {nu}{sub 2} and {nu}{sub 3} bands provided a production rate (47.5 {+-} 4.4 Multiplication-Sign 10{sup 25} s{sup -1}) that corresponded to an abundance ratio of 1.22 {+-} 0.11 Multiplication-Sign 10{sup -2} relative to H{sub 2}O in 21P/GZ, indicating mild depletion of CH{sub 3}OH. Together with observations of 21P/GZ in 1998, our study provides a measure of primary volatile production rates for this Jupiter family comet over multiple apparitions using high-resolution IR spectroscopy.

  8. Photomagnetic Switching of the Complex [Nd(dmf)[subscript 4](H[subscript 2]O)[subscript 3]([mu]-CN)Fe(CN)[subscript 5

    SciTech Connect (OSTI)

    Svendsen, Helle; Overgaard, Jacob; Chevallier, Marie; Collet, Eric; Iversen, Bo B.

    2009-10-21

    Single-crystal XRD experiments (see picture) reveal the excited-state structure of the photomagnetic heterobimetallic title complex. The system shows a decrease in all the iron-ligand bond lengths, suggesting that photoexcitation involves a ligand-to-metal charge transfer or a change in the superexchange coupling between the metal centers.

  9. Anion exchange polymer electrolytes

    DOE Patents [OSTI]

    Kim, Yu Seung; Kim, Dae Sik; Lee, Kwan-Soo

    2013-07-23

    Solid anion exchange polymer electrolytes and compositions comprising chemical compounds comprising a polymeric core, a spacer A, and a guanidine base, wherein said chemical compound is uniformly dispersed in a suitable solvent and has the structure: ##STR00001## wherein: i) A is a spacer having the structure O, S, SO.sub.2, --NH--, --N(CH.sub.2).sub.n, wherein n=1-10, --(CH.sub.2).sub.n--CH.sub.3--, wherein n=1-10, SO.sub.2-Ph, CO-Ph, ##STR00002## wherein R.sub.5, R.sub.6, R.sub.7 and R.sub.8 each are independently --H, --NH.sub.2, F, Cl, Br, CN, or a C.sub.1-C.sub.6 alkyl group, or any combination of thereof; ii) R.sub.9, R.sub.10, R.sub.11, R.sub.12, or R.sub.13 each independently are --H, --CH.sub.3, --NH.sub.2, --NO, --CH.sub.nCH.sub.3 where n=1-6, HC.dbd.O--, NH.sub.2C.dbd.O--, --CH.sub.nCOOH where n=1-6, --(CH.sub.2).sub.n--C(NH.sub.2)--COOH where n=1-6, --CH--(COOH)--CH.sub.2--COOH, --CH.sub.2--CH(O--CH.sub.2CH.sub.3).sub.2, --(C.dbd.S)--NH.sub.2, --(C.dbd.NH)--N--(CH.sub.2).sub.nCH.sub.3, where n=0-6, --NH--(C.dbd.S)--SH, --CH.sub.2--(C.dbd.O)--O--C(CH.sub.3).sub.3, --O--(CH.sub.2).sub.n--CH--(NH.sub.2)--COOH, where n=1-6, --(CH.sub.2).sub.n--CH.dbd.CH wherein n=1-6, --(CH.sub.2).sub.n--CH--CN wherein n=1-6, an aromatic group such as a phenyl, benzyl, phenoxy, methylbenzyl, nitrogen-substituted benzyl or phenyl groups, a halide, or halide-substituted methyl groups; and iii) wherein the composition is suitable for use in a membrane electrode assembly.

  10. Iron(II) catalysis in oxidation of hydrocarbons with ozone in acetonitrile

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

    Bataineh, Hajem; Pestovsky, Oleg; Bakac, Andreja

    2015-02-11

    Oxidation of alcohols, ethers, and sulfoxides by ozone in acetonitrile is catalyzed by submillimolar concentrations of Fe(CH3CN)62+. The catalyst provides both rate acceleration and greater selectivity toward the less oxidized products. For example, Fe(CH3CN)62+-catalyzed oxidation of benzyl alcohol yields benzaldehyde almost exclusively (>95%), whereas the uncatalyzed reaction generates a 1:1 mixture of benzaldehyde and benzoic acid. Similarly, aliphatic alcohols are oxidized to aldehydes/ketones, cyclobutanol to cyclobutanone, and diethyl ether to a 1:1 mixture of ethanol and acetaldehyde. The kinetics of oxidation of alcohols and diethyl ether are first-order in [Fe(CH3CN)62+] and [O3] and independent of [substrate] at concentrations greater thanmore » ~5 mM. In this regime, the rate constant for all of the alcohols is approximately the same, kcat = (8 ± 1) × 104 M–1 s–1, and that for (C2H5)2O is (5 ± 0.5) × 104 M–1 s–1. In the absence of substrate, Fe(CH3CN)62+ reacts with O3 with kFe = (9.3 ± 0.3) × 104 M–1 s–1. The similarity between the rate constants kFe and kcat strongly argues for Fe(CH3CN)62+/O3 reaction as rate-determining in catalytic oxidation. The active oxidant produced in Fe(CH3CN)62+/O3 reaction is suggested to be an Fe(IV) species in analogy with a related intermediate in aqueous solutions. As a result, this assignment is supported by the similarity in kinetic isotope effects and relative reactivities of the two species toward substrates.« less

  11. The reaction of cobaloximes with hydrogen: Products and thermodynamics

    SciTech Connect (OSTI)

    Estes, Deven P.; Grills, David C.; Norton, Jack R.

    2014-11-26

    In this study, a cobalt hydride has been proposed as an intermediate in many reactions of the Co(dmgBF?)?L? system, but its observation has proven difficult. We have observed the UVvis spectra of Co(dmgBF?)?L? (1) in CH?CN under hydrogen pressures up to 70 atm. A Co(I) compound (6), with an exchangeable proton, is eventually formed. We have determined the bond dissociation free energy and pKa of the new OH bond in 6 to be 50.5 kcal/mol and 13.4, respectively, in CH?CN, matching previous reports.

  12. Effective hole extraction using MoO{sub x}-Al contact in perovskite CH{sub 3}NH{sub 3}PbI{sub 3} solar cells

    SciTech Connect (OSTI)

    Zhao, Yixin; Nardes, Alexandre M.; Zhu, Kai

    2014-05-26

    We report an 11.4%-efficient perovskite CH{sub 3}NH{sub 3}PbI{sub 3} solar cell using low-cost molybdenum oxide/aluminum (i.e., MoO{sub x}/Al) as an alternative top contact to replace noble/precious metals (e.g., Au or Ag) for extracting photogenerated holes. The device performance of perovskite solar cells using a MoO{sub x}/Al top contact is comparable to that of cells using the standard Ag top contact. Analysis of impedance spectroscopy measurements suggests that using 10-nm-thick MoO{sub x} and Al does not affect charge-recombination properties of perovskite solar cells. Using a thicker (20-nm) MoO{sub x} layer leads to a lower cell performance caused mainly by a reduced fill factor. Our results suggest that MoO{sub x}/Al is promising as a low-cost and effective hole-extraction contact for perovskite solar cells.

  13. Dimorphism in iron(II) methylphosphonate: Low-temperature crystal structure and temperature-dependent Mossbauer studies of a new form of the layered weak ferromagnet Fe[(CH{sub 3}PO{sub 3})(H{sub 2}O)

    SciTech Connect (OSTI)

    Leone, Philippe . E-mail: philippe.leone@cnrs-imn.fr; Palvadeau, Pierre; Boubekeur, Kamal; Meerschaut, Alain; Bellitto, Carlo; Bauer, Elvira M.; Righini, Guido; Fabritchnyi, Pavel

    2005-04-15

    A second form of the literature-known layered weak ferromagnet Fe[(CH{sub 3}PO{sub 3})(H{sub 2}O)] has been isolated. The crystal structure determination of this new form (2) has been carried out at T=300, 200 and 130K. It crystallizes in the orthorhombic space group Pmn2{sub 1}: a=5.7177(11), b=8.8093(18), c=4.8154(10)A, while form (1) crystallizes in the space group Pna2{sub 1}: a=17.58(2), b=4.814(1), c=5.719(1)A. Moessbauer spectroscopy on form (2) has been performed in the temperature range 4-300K; and, at T{approx}160K, a drastic change in the quadrupole splitting ({delta}E) and a broadening of the doublet components is noticed. But surprisingly, on cooling the crystal, no structural change is observed, which could account for the increase in {delta}E. Below T=25K, {sup 57}Fe spectra transform into hyperfine splitting patterns which reveal a magnetically ordered state in agreement with the results of earlier magnetic susceptibility studies.

  14. Formation of ketene (H{sub 2}CCO) in interstellar analogous methane (CH{sub 4})-carbon monoxide (CO) ices: A combined FTIR and reflectron time-of-flight mass spectroscopic study

    SciTech Connect (OSTI)

    Maity, Surajit; Kaiser, Ralf I.; Jones, Brant M.

    2014-07-01

    The formation of ketene (H{sub 2}CCO) in methane-carbon monoxide (CH{sub 4}-CO) ices was investigated upon its exposure to ionizing radiation in the form of energetic electrons at 5.5 K. The radiation-induced nonthermal equilibrium processing of these ices was monitored online and in situ via infrared spectroscopy complimented with post-irradiation temperature programmed desorption studies exploiting highly sensitive reflectron time-of-flight mass spectrometry (ReTOF) coupled with single photon fragment-free photo ionization (PI) at 10.49 eV. The detection of ketene in irradiated (isotopically labeled) methane-carbon monoxide ices was confirmed via the ?{sub 2} infrared absorption band and substantiated during the warm-up phase based on sublimation profiles obtained from the ReTOF-PI spectra of the corresponding isotopic masses. The experiments conducted with the mixed isotopic ices of {sup 12}CD{sub 4}-{sup 13}CO provide clear evidence of the formation of at least two ketene isotopomers (D{sub 2} {sup 12}C{sup 13}CO and D{sub 2} {sup 13}C{sup 13}CO), allowing for the derivation of two competing formation pathways. We have also proposed underlying reaction mechanisms to the formation of ketene based on kinetic fitting of the temporal evolution of the ketene isotopomers.

  15. Assessing methane oxidation under landfill covers and its contribution to the above atmospheric CO{sub 2} levels: The added value of the isotope ({delta}{sup 13}C and {delta}{sup 18}O CO{sub 2}; {delta}{sup 13}C and {delta}D CH{sub 4}) approach

    SciTech Connect (OSTI)

    Widory, D.; Proust, E.; Bellenfant, G.; Bour, O.

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Comparison of the isotope and mass balance approaches to evaluate the level of methane oxidation within a landfill. Black-Right-Pointing-Pointer The level of methane oxidation is not homogenous under the landfill cover and is strongly correlated to the methane flux. Black-Right-Pointing-Pointer Isotope tracking of the contribution of the methane oxidation to the CO{sub 2} concentrations in the ambient air. - Abstract: We are presenting here a multi-isotope approach ({delta}{sup 13}C and {delta}{sup 18}O of CO{sub 2}; {delta}{sup 13}C and {delta}D of CH{sub 4}) to assess (i) the level(s) of methane oxidation during waste biodegradation and its migration through a landfill cover in Sonzay (France), and (ii) its contribution to the atmospheric CO{sub 2} levels above the surface. The isotope approach is compared to the more conventional mass balance approach. Results from the two techniques are comparable and show that the CH{sub 4} oxidation under the landfill cover is heterogenous, with low oxidation percentages in samples showing high biogas fluxes, which was expected in clay covers presenting fissures, through which CH{sub 4} is rapidly transported. At shallow depth, more immobile biogas pockets show a higher level of CH{sub 4} oxidation by the methanotrophic bacteria. {delta}{sup 13}C of CO{sub 2} samples taken at different heights (from below the cover up to 8 m above the ground level) were also used to identify and assess the relative contributions of its main sources both under the landfill cover and in the surrounding atmosphere.

  16. LOW-RESOLUTION SPECTROSCOPY FOR THE GLOBULAR CLUSTERS WITH SIGNS OF SUPERNOVA ENRICHMENT: M22, NGC 1851, AND NGC 288

    SciTech Connect (OSTI)

    Lim, Dongwook; Han, Sang-Il; Lee, Young-Wook; Roh, Dong-Goo; Sohn, Young-Jong; Chun, Sang-Hyun; Lee, Jae-Woo; Johnson, Christian I.

    2015-01-01

    There is increasing evidence for the presence of multiple red giant branches (RGBs) in the color-magnitude diagrams of massive globular clusters (GCs). In order to investigate the origin of this split on the RGB, we have performed new narrow-band Ca photometry and low-resolution spectroscopy for M22, NGC 1851, and NGC 288. We find significant differences (more than 4σ) in calcium abundance from the spectroscopic HK' index for M22 and NGC 1851. We also find more than 8σ differences in CN-band strength between the Ca-strong and Ca-weak subpopulations for these GCs. For NGC 288, however, a large difference is detected only in the CN strength. The calcium abundances of RGB stars in this GC are identical to within the errors. This is consistent with the conclusion from our new Ca photometry where the RGB splits are confirmed in M22 and NGC 1851, but not in NGC 288. We also find interesting differences in the CN-CH correlations among these GCs. While CN and CH are anti-correlated in NGC 288, they show a positive correlation in M22. NGC 1851, however, shows no difference in CH between the two groups of stars with different CN strengths. We suggest that all of these systematic differences would be best explained by how strongly Type II supernovae enrichment has contributed to the chemical evolution of these GCs.

  17. Materials Data on CsB(CN)4 (SG:88) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on AgB(CN)4 (SG:215) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on TlB(CN)4 (SG:88) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on CuB(CN)4 (SG:215) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations