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Sample records for log cation geothermometers

  1. Cation Geothermometers | Open Energy Information

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

  3. Multicomponent Geothermometers | Open Energy Information

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

  6. Mud Logging | Open Energy Information

    Open Energy Info (EERE)

    Well Log Techniques Acoustic Logs Cement Bond Log Cross-Dipole Acoustic Log Caliper Log Chemical Logging Density Log Gamma Log Image Logs Mud Logging Neutron Log Pressure...

  7. Change Log

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

    NERSC-8 Trinity Benchmarks Change Log 09032013 Correction applied to MiniDFT web-page ... results spreadsheet (linked on SSP web page); clarification to benchmark run rules ...

  8. Change Log

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

    Change Log Change Log Crossroads/NERSC-9 Benchmarks Change Log 05/25/2016 Updated to latest version 3.0 release of the HPCG distribution. For the APEX benchmark, the -DHPCG_CONTIGUOUS_ARRAYS flag is now used which improves the baseline performance on Edison significantly. Please refer to the updated SSI spreadsheet for the new baseline value. 05/17/2016 Updated source distribution. README.APEX now states to use "Grind Time" as the figure of merit. Failed to do this on the 5/10/2016

  9. Change Log

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

    Change Log Change Log NERSC-8 / Trinity Benchmarks Change Log 09/03/2013 Correction applied to MiniDFT web-page (to remove inconsistency with MiniDFT README). Capability Improvement measurements do not require 10,000 MPI ranks per k-point. 08/06/2013 Various pages have changed to remove "draft" status 08/02/2013 Correction added to FLOP Counts for "Small" Single-Node Miniapplication Tests page 07/12/2013 README files updated for IOR benchmark to correct an error in wording

  10. Outage Log

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

    Queue Look Scheduled Outages Outage Log Science Gateway Status Login Node Status ... It is a historical record and may not be updated while a system event is in progress. ...

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

    SciTech Connect (OSTI)

    Sanchez, D.R.

    1996-12-31

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

  12. Log Summarization

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

    Log Summarization and Anomaly Detection for Troubleshooting Distributed Systems Dan Gunter #1 , Brian L. Tierney #2 , Aaron Brown ∗3 , Martin Swany ∗4 , John Bresnahan !5 , Jennifer M. Schopf !6 # Lawrence Berkeley National Laboratory, Berkeley, CA, USA 1 dkgunter@lbl.gov 2 bltierney@lbl.gov ∗ University of Delaware, Newark, DE, USA 3 brown@cis.udel.edu 4 swany@cis.udel.edu ! Argonne National Laboratory, Argonne, IL, USA 5 bresnaha@mcs.anl.gov 6 jms@mcs.anl.gov Abstract- Today's system

  13. Spontaneous Potential Well Log | Open Energy Information

    Open Energy Info (EERE)

    Log Chemical Logging Density Log Gamma Log Image Logs Mud Logging Neutron Log Pressure Temperature Log Single-Well and Cross-Well Resistivity Spontaneous Potential Well Log...

  14. Log-Tool

    SciTech Connect (OSTI)

    Goodall, John

    2012-05-21

    Log files are typically semi- or un-structured. To be useable for visualization and machine learning, they need to be parsed into a standard, structured format. Log-tool is a tool for facilitating the parsing, structuring, and routing of log files (e.g. intrusion detection long, web server logs, system logs). It consists of three main components: (1) Input – it will input data from files, standard input, and syslog, (2) Parser – it will parse the log file based on regular expressions into structured data (JSNO format), (3) Output – it will output structured data into commonly used formats, including Redis (a database), standard output, and syslog.

  15. AIRMaster+ LogTool

    Broader source: Energy.gov [DOE]

    The AIRMaster+ LogTool is a companion tool to AIRMaster+ that helps industrial users determine the operating dynamics of a compressed system. Use the LogTool first to gather critical data in...

  16. Well Log ETL tool

    Energy Science and Technology Software Center (OSTI)

    2013-08-01

    This is an executable python script which offers two different conversions for well log data: 1) Conversion from a BoreholeLASLogData.xls model to a LAS version 2.0 formatted XML file. 2) Conversion from a LAS 2.0 formatted XML file to an entry in the WellLog Content Model. Example templates for BoreholeLASLogData.xls and WellLogsTemplate.xls can be found in the package after download.

  17. Caliper Log | Open Energy Information

    Open Energy Info (EERE)

    Information Exploration Group: Downhole Techniques Exploration Sub Group: Well Log Techniques Parent Exploration Technique: Well Log Techniques Information Provided by...

  18. Log-Tool

    Energy Science and Technology Software Center (OSTI)

    2012-05-21

    Log files are typically semi- or un-structured. To be useable for visualization and machine learning, they need to be parsed into a standard, structured format. Log-tool is a tool for facilitating the parsing, structuring, and routing of log files (e.g. intrusion detection long, web server logs, system logs). It consists of three main components: (1) Input – it will input data from files, standard input, and syslog, (2) Parser – it will parse the logmore » file based on regular expressions into structured data (JSNO format), (3) Output – it will output structured data into commonly used formats, including Redis (a database), standard output, and syslog.« less

  19. Logging in to Edison

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

    Logging in Logging in to Edison Interactive Access You can log in to Edison using SSH (Secure Shell) with the following command from any UNIX, Mac OS X, Linux, FreeBSD, etc. command shell or terminal: ssh -l username edison.nersc.gov There are several SSH-capable clients available for Windows, Mac, and UNIX/Linux machines. NERSC does not support or recommend any particular client. Edison has 12 login nodes. You will be randomly connected to one of those 12 when you ssh to edison.nersc.gov. In

  20. Logging in to Franklin

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

    Logging in Logging in to Franklin Interactive Access You can log in to Franklin using SSH (Secure Shell) with the following command from any UNIX, Linux, FreeBSD, etc. command shell or terminal: % ssh -l username franklin.nersc.gov There are a number of SSH-capable clients available for Windows, Mac, and UNIX/Linux machines. NERSC does not support or recommend any particular client. Franklin has 10 login nodes; you will be randomly connected to one of those 10 when you ssh to franklin.nersc.gov.

  1. Logging in to Hopper

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

    Logging in Logging in to Hopper Interactive Access You can log in to Hopper using SSH (Secure Shell) with the following command from any UNIX, Mac OS X, Linux, FreeBSD, etc. command shell or terminal: ssh -l username hopper.nersc.gov There are several SSH-capable clients available for Windows, Mac, and UNIX/Linux machines. NERSC does not support or recommend any particular client. Hopper has 12 login nodes. You will be randomly connected to one of those 12 when you ssh to hopper.nersc.gov. In

  2. Acoustic Logs | Open Energy Information

    Open Energy Info (EERE)

    different types of acoustic logs are used, based on the frequencies used, the way the signal is recorded, and the purpose of the log. All these logs require fluid in the well to...

  3. Density Log | Open Energy Information

    Open Energy Info (EERE)

    Density Log Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Density Log Details Activities (7) Areas (6) Regions (0) NEPA(0) Exploration...

  4. NMR logging apparatus

    DOE Patents [OSTI]

    Walsh, David O; Turner, Peter

    2014-05-27

    Technologies including NMR logging apparatus and methods are disclosed. Example NMR logging apparatus may include surface instrumentation and one or more downhole probes configured to fit within an earth borehole. The surface instrumentation may comprise a power amplifier, which may be coupled to the downhole probes via one or more transmission lines, and a controller configured to cause the power amplifier to generate a NMR activating pulse or sequence of pulses. Impedance matching means may be configured to match an output impedance of the power amplifier through a transmission line to a load impedance of a downhole probe. Methods may include deploying the various elements of disclosed NMR logging apparatus and using the apparatus to perform NMR measurements.

  5. Log in | The Ames Laboratory

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

    Error message Access denied. You must log in to view this page.

  6. Logs Perl Module

    Energy Science and Technology Software Center (OSTI)

    2007-04-04

    A perl module designed to read and parse the voluminous set of event or accounting log files produced by a Portable Batch System (PBS) server. This module can filter on date-time and/or record type. The data can be returned in a variety of formats.

  7. Neutron Log | Open Energy Information

    Open Energy Info (EERE)

    Dictionary.png Neutron Log: The neutron log responds primarily to the amount of hydrogen in the formation which is contained in oil, natural gas, and water. The amount of...

  8. Grid Logging: Best Practices Guide

    SciTech Connect (OSTI)

    Tierney, Brian L; Tierney, Brian L; Gunter, Dan

    2008-04-01

    The purpose of this document is to help developers of Grid middleware and application software generate log files that will be useful to Grid administrators, users, developers and Grid middleware itself. Currently, most of the currently generated log files are only useful to the author of the program. Good logging practices are instrumental to performance analysis, problem diagnosis, and security auditing tasks such as incident tracing and damage assessment. This document does not discuss the issue of a logging API. It is assumed that a standard log API such as syslog (C), log4j (Java), or logger (Python) is being used. Other custom logging API or even printf could be used. The key point is that the logs must contain the required information in the required format. At a high level of abstraction, the best practices for Grid logging are: (1) Consistently structured, typed, log events; (2) A standard high-resolution timestamp; (3) Use of logging levels and categories to separate logs by detail and purpose; (4) Consistent use of global and local identifiers; and (5) Use of some regular, newline-delimited ASCII text format. The rest of this document describes each of these recommendations in detail.

  9. Category:Chemical Logging | Open Energy Information

    Open Energy Info (EERE)

    Chemical Logging Jump to: navigation, search Geothermalpower.jpg Looking for the Chemical Logging page? For detailed information on Chemical Logging, click here. Category:Chemical...

  10. Geotech Logging Services | Open Energy Information

    Open Energy Info (EERE)

    Logging Services Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Geotech Logging Services Author Geotech Logging Servces LLC Published Publisher...

  11. Coiled-tubing logging system

    SciTech Connect (OSTI)

    Howell, E.P.; Smith, L.J.; Blount, C.G.

    1988-03-01

    Techniques have been developed to use coiled tubing containing a seven-conductor wireline to facilitate logging operations. Equipment has been designed to permit the connection of conventional logging tools to the tubing and the recording of logs. Operating techniques have been developed and applied under various wellbore conditions. The system allows traditional log measurements in a well while wellbore conditions are controlled. Advantages of the system include reduced wellbore pressure during peroration to maximize perforation performance; lubrication during pulling or pushing a logging tool through a borehole so that a more uniform velocity can be maintained with a logging sonde; continued circulation and thus borehole stability during logging; temperature reduction for improved reliability of logging sonde electronics in hot holes; and more stable positioning of perforation equipment. The ability of coiled tubing to push tools down highly deviated or horizontal wellbores makes logging or perforating feasible in these wells. Expenses can often be reduced with coiled-tubing logging because a rig is unnecessary during many operations.

  12. Coiled-tubing logging system

    SciTech Connect (OSTI)

    Howell, E.P.; Smith, L.J.; Blount, C.G.

    1986-01-01

    Techniques have been developed which use coiled tubing containing a seven-conductor wireline to facilitate logging operations. Equipment has been designed which permits the connection of conventional logging tools to the tubing and the recording of logs. Also, operating techniques have been developed and applied under various wellbore conditions. The system allows traditional log measurements in a well while controlling wellbore conditions. Advantages of the system include: reduced wellbore pressure during perforation to minimize formation damage: lubrication while pulling or pushing a logging tool through a borehole so that a more uniform velocity can be maintained with a logging sonde; continued circulation and thus borehole stability while logging; temperature reduction for improved reliability of logging sonde electronics in hot holes; and more stable positioning of perforation equipment. The ability of coiled tubing to push tools down highly deviated, or even horizontal wellbores, makes logging or perforating feasible in these wells. Expenses can often be reduced with coiled-tubing logging, since a rig is unnecessary during many operations.

  13. Category:Neutron Log | Open Energy Information

    Open Energy Info (EERE)

    Looking for the Neutron Log page? For detailed information on Neutron Log, click here. Category:Neutron Log Add.png Add a new Neutron Log Technique Pages in category...

  14. Chemical Logging | Open Energy Information

    Open Energy Info (EERE)

    concentrations.1 Use in Geothermal Exploration During a chemical logging study at the Raft River Geothermal Test Site, returned drilling fluid samples were collected every...

  15. Acoustic paramagnetic logging tool

    DOE Patents [OSTI]

    Vail, III, William B.

    1988-01-01

    New methods and apparatus are disclosed which allow measurement of the presence of oil and water in geological formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleons present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth3 s magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation . The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be preformed in open boreholes and in cased well bores.

  16. A new approach for deriving pseudovelocity logs from resistivity logs

    SciTech Connect (OSTI)

    Dos Santos, W.L.B.; Ulrych, T.J.; De Lima, O.A.L.

    1988-01-01

    This paper describes a method of generating pseudovelocity logs using measurements of electrical resistivity. A theoretical relation between electrical resistivity and transit time, which is applicable to a wide range of lithologies, has been developed. The application of this relation using a method which defines lithoresistivity zones as lithological intervals related to the same formation and showing small resistivity variations, has been tested in the Reconcavo sedimentary basin in Bahia, Brazil. A comparison of derived pseudovelocity logs with actual sonic logs for five wells shows the validity of the present approach.

  17. Category:Well Log Techniques | Open Energy Information

    Open Energy Info (EERE)

    1 pages C Caliper Log 1 pages Chemical Logging 1 pages D Density Log 1 pages G Gamma Log 1 pages I Image Logs 1 pages M Mud...

  18. Well Log Techniques | Open Energy Information

    Open Energy Info (EERE)

    formation properties versus depth in a borehole. Other definitions:Wikipedia Reegle Introduction Well logging, also known as wireline logging, is a method of data collection in the...

  19. Vertical Flowmeter Logging | Open Energy Information

    Open Energy Info (EERE)

    Logging Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Vertical Flowmeter Logging Author U.S. Geological Survey Published USGS Groundwater...

  20. Well Log Techniques At Raft River Geothermal Area (1977) | Open...

    Open Energy Info (EERE)

    the rock using well log data. Notes Information is given on the following logs: dual-induction focused log, including resistivity, sp, and conductivity; acoustic log; compensated...

  1. Chemical logging of geothermal wells

    DOE Patents [OSTI]

    Allen, Charles A.; McAtee, Richard E.

    1981-01-01

    The presence of geothermal aquifers can be detected while drilling in geothermal formations by maintaining a chemical log of the ratio of the concentrations of calcium to carbonate and bicarbonate ions in the return drilling fluid. A continuous increase in the ratio of the concentrations of calcium to carbonate and bicarbonate ions is indicative of the existence of a warm or hot geothermal aquifer at some increased depth.

  2. Chemical logging of geothermal wells

    DOE Patents [OSTI]

    Allen, C.A.; McAtee, R.E.

    The presence of geothermal aquifers can be detected while drilling in geothermal formations by maintaining a chemical log of the ratio of the concentrations of calcium to carbonate and bicarbonate ions in the return drilling fluid. A continuous increase in the ratio of the concentrations of calcium to carbonate and bicarbonate ions is indicative of the existence of a warm or hot geothermal aquifer at some increased depth.

  3. Silica Geothermometers | Open Energy Information

    Open Energy Info (EERE)

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

  4. Borehole Geophysical Logging | Open Energy Information

    Open Energy Info (EERE)

    Logging Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Borehole Geophysical Logging Authors Hager-Richter Geoscience and Inc. Published Publisher Not...

  5. Energy Citations Database (ECD) - Alerts Log On

    Office of Scientific and Technical Information (OSTI)

    Log On You must Log On to use the ECD Alerts. Alerts provide users with e-mail notification of updates to the ECD in specific areas of interest. If you wish to receive an Alert and...

  6. Leak checker data logging system

    DOE Patents [OSTI]

    Gannon, J.C.; Payne, J.J.

    1996-09-03

    A portable, high speed, computer-based data logging system for field testing systems or components located some distance apart employs a plurality of spaced mass spectrometers and is particularly adapted for monitoring the vacuum integrity of a long string of a superconducting magnets such as used in high energy particle accelerators. The system provides precise tracking of a gas such as helium through the magnet string when the helium is released into the vacuum by monitoring the spaced mass spectrometers allowing for control, display and storage of various parameters involved with leak detection and localization. A system user can observe the flow of helium through the magnet string on a real-time basis hour the exact moment of opening of the helium input valve. Graph reading can be normalized to compensate for magnet sections that deplete vacuum faster than other sections between testing to permit repetitive testing of vacuum integrity in reduced time. 18 figs.

  7. Leak checker data logging system

    DOE Patents [OSTI]

    Gannon, Jeffrey C.; Payne, John J.

    1996-01-01

    A portable, high speed, computer-based data logging system for field testing systems or components located some distance apart employs a plurality of spaced mass spectrometers and is particularly adapted for monitoring the vacuum integrity of a long string of a superconducting magnets such as used in high energy particle accelerators. The system provides precise tracking of a gas such as helium through the magnet string when the helium is released into the vacuum by monitoring the spaced mass spectrometers allowing for control, display and storage of various parameters involved with leak detection and localization. A system user can observe the flow of helium through the magnet string on a real-time basis hour the exact moment of opening of the helium input valve. Graph reading can be normalized to compensate for magnet sections that deplete vacuum faster than other sections between testing to permit repetitive testing of vacuum integrity in reduced time.

  8. California-Nevada uranium logging. Final report

    SciTech Connect (OSTI)

    Not Available

    1981-04-01

    The purpose of this project was to obtain geophysical logs of industry drill holes to assess the uranium resource potential of geologic formations of interest. The work was part of the US Department of Energy's National Uranium Resource Evaluation (NURE) Program. The principal objective of the logging program was to determine radioelement grade of formations through natural gamma ray detectors. Supplementary information was obtained from resistivity (R), self-potential (SP), point resistance (RE), and neutron density (NN) logs for formation interpretation. Additional data for log interpretation was obtained from caliper logs, casing schedules, and downhole temperature. This data was obtained from well operators when available, with new logs obtained where not formerly available. This report contains a summary of the project and data obtained to date.

  9. Proven logging technology for high temperatures

    SciTech Connect (OSTI)

    Gonzalez, M.E.

    1995-12-01

    Los Alamos National Laboratory (LANL) hot-hole logging technology for geothermal projects was retrofitted into cased-hole logging tools (gamma ray, neutron and casing collar) for use in deep gas wells. Lab tests indicated that hot-hole tools would last three times longer at 400 F (204 C) bottomhole conditions. During logging runs in Western Oklahoma, Beckham County deep gas wells, standard cased-hole logging tools failed in two to four hours, but hot-hole tools ran successfully for two consecutive six-hour logging runs (12 hours). Subsequent to this, retrofitted tools were equally effective in South Texas and Wyoming. This paper reviews results and design of this equipment.

  10. Sedimentological analysis using geophysical well logs

    SciTech Connect (OSTI)

    Izotova, T.S. )

    1993-09-01

    The application of geophysical well logs in sedimentology and stratigraphic prospecting holds great promise in solving a number of geological problems. A suite of logs provides data on a wide range of rock properties: vertical and lateral variation of resistivity, natural polarization, natural and induced radioactivity, shear strength, and acoustic properties. Each of these properties is controlled by the depositional environment of the sediments and their later diagenesis. The attention of geologists and geophysicists is drawn to new techniques in the interpretation of geophysical well logs for exploration, appraisal, and development of oil and gas fields. The relationship between geophysical logs and depositional environments is explored. Bulk composition, rock structure, and texture and facies variation can be quantified by electric log parameters. Also, the possibility of using logs to demonstrate long- and short-period sedimentary cycles is demonstrated. Methods of sedimentological analysis using geophysical well logs are demonstrated. The importance of a genetic approach in the interpretation of geological sequences and paleogeological reconstructions is emphasized using examples taken from oil and gas prospecting operations in the Ukraine.

  11. Logging in to Cori P1

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

    Logging in Logging in to Cori P1 Interactive Access You can log in to Cori using SSH (Secure Shell) with the following command from any UNIX, Mac OS X, Linux, FreeBSD, etc. command shell or terminal: ssh -l username cori.nersc.gov There are several SSH-capable clients available for Windows, Mac, and UNIX/Linux machines. NERSC does not support or recommend any particular client. More information on connecting to NERSC with SSH, including how to generate SSH keys for passworless logins, can be

  12. CMLOG: A common message logging system

    SciTech Connect (OSTI)

    Chen, J.; Akers, W.; Bickley, M.; Wu, D.; Watson, W. III

    1997-12-01

    The Common Message Logging (CMLOG) system is an object-oriented and distributed system that not only allows applications and systems to log data (messages) of any type into a centralized database but also lets applications view incoming messages in real-time or retrieve stored data from the database according to selection rules. It consists of a concurrent Unix server that handles incoming logging or searching messages, a Motif browser that can view incoming messages in real-time or display stored data in the database, a client daemon that buffers and sends logging messages to the server, and libraries that can be used by applications to send data to or retrieve data from the database via the server. This paper presents the design and implementation of the CMLOG system meanwhile it will also address the issue of integration of CMLOG into existing control systems.

  13. Sisyphus - An Event Log Analysis Toolset

    Energy Science and Technology Software Center (OSTI)

    2004-09-01

    Event logs are a ubiquitous source of system feedback from computer systems, but have widely ranging format and can be extremely numerous, particularly from systems with many logging components. Inspection of these logs is fundamental to system debugging; increased capability to quickly extract meaningful information will impact MTTR (mean time to repair) and may impact MTBF (mean time between failure). Sisyphus is a machine-leanring analysis system whose goal is to enable content-novice analysts to efficieniiymore » understand evolving trends, identify anomalies, and investigate cause-effect hypotheses in large multiple-souce log sets. The toolkit is comprised a framework for utilizing third-party frequentitemset data mining tools Teiresias and SLCT. and software to cluster messages according to time statistics, and an interactive results viewer.« less

  14. Logs Wood Chips Straw Corn Switchgrass

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

    Clean energy can come from the sun. The energy in wind can make electricity. Bioenergy comes from plants we can turn into fuel. Logs Wood Chips Straw Corn Switchgrass We can use ...

  15. Cement Bond Log | Open Energy Information

    Open Energy Info (EERE)

    casing and cement and between cement and borehole wall. Most cement-bond logs are a measurement only of the amplitude of the early arriving casing signal. Although a small...

  16. Formation mechanical properties and the sonic log

    SciTech Connect (OSTI)

    Elphick, R.Y.

    1988-11-01

    A program is presented that calculates the mechanical properties of reservoir rocks from sonic logs. The program was written in Microsoft BASIC and the source code for MS-DOS, Apple Macintosh, and Amiga personal computers is given.

  17. Logging-while-coring method and apparatus

    DOE Patents [OSTI]

    Goldberg, David S.; Myers, Gregory J.

    2007-01-30

    A method and apparatus for downhole coring while receiving logging-while-drilling tool data. The apparatus includes core collar and a retrievable core barrel. The retrievable core barrel receives core from a borehole which is sent to the surface for analysis via wireline and latching tool The core collar includes logging-while-drilling tools for the simultaneous measurement of formation properties during the core excavation process. Examples of logging-while-drilling tools include nuclear sensors, resistivity sensors, gamma ray sensors, and bit resistivity sensors. The disclosed method allows for precise core-log depth calibration and core orientation within a single borehole, and without at pipe trip, providing both time saving and unique scientific advantages.

  18. Logging-while-coring method and apparatus

    DOE Patents [OSTI]

    Goldberg, David S.; Myers, Gregory J.

    2007-11-13

    A method and apparatus for downhole coring while receiving logging-while-drilling tool data. The apparatus includes core collar and a retrievable core barrel. The retrievable core barrel receives core from a borehole which is sent to the surface for analysis via wireline and latching tool The core collar includes logging-while-drilling tools for the simultaneous measurement of formation properties during the core excavation process. Examples of logging-while-drilling tools include nuclear sensors, resistivity sensors, gamma ray sensors, and bit resistivity sensors. The disclosed method allows for precise core-log depth calibration and core orientation within a single borehole, and without at pipe trip, providing both time saving and unique scientific advantages.

  19. Energy Citations Database (ECD) - Alerts Log On

    Office of Scientific and Technical Information (OSTI)

    ECD Alerts Log On Alerts provide users with e-mail notification of updates to the ECD in specific areas of interest. If you wish to receive an Alert and are not registered, please...

  20. The Role of Cation-Water Disorder during Cation Exchange in Small...

    Office of Scientific and Technical Information (OSTI)

    The Role of Cation-Water Disorder during Cation Exchange in Small-Pore Zeolite Sodium Natrolite Citation Details In-Document Search Title: The Role of Cation-Water Disorder during ...

  1. Property:FirstWellLog | Open Energy Information

    Open Energy Info (EERE)

    FirstWellLog Jump to: navigation, search Property Name FirstWellLog Property Type Page Retrieved from "http:en.openei.orgwindex.php?titleProperty:FirstWellLog&oldid598766...

  2. Category:Pressure Temperature Log | Open Energy Information

    Open Energy Info (EERE)

    Geothermalpower.jpg Looking for the Pressure Temperature Log page? For detailed information on Pressure Temperature Log, click here. Category:Pressure Temperature Log Add.png Add a...

  3. Category:Cross-Dipole Acoustic Log | Open Energy Information

    Open Energy Info (EERE)

    Cross-Dipole Acoustic Log Jump to: navigation, search Geothermalpower.jpg Looking for the Cross-Dipole Acoustic Log page? For detailed information on Cross-Dipole Acoustic Log,...

  4. Pressure Temperature Log At Vale Hot Springs Area (Combs, Et...

    Open Energy Info (EERE)

    Unknown Notes Numerous temperature logs were taken with Sandia's platinum-resistance-thermometer (PRT) tool which along with a Sandia logging truck remained on-site for...

  5. Manager's Signature Log Privacy Impact Assessment, Office of...

    Office of Environmental Management (EM)

    Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office Manager's ...

  6. Energy Efficiency in Log Homes | Department of Energy

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

    energy efficiency when designing or purchasing a log home. | Photo courtesy of iStockphoto.comtinabelle Consider energy efficiency when designing or purchasing a log home. |...

  7. Green Energy Resources Inc formerly New York International Log...

    Open Energy Info (EERE)

    Inc formerly New York International Log Lumber Company Jump to: navigation, search Name: Green Energy Resources Inc (formerly New York International Log & Lumber Company) Place:...

  8. Preservationists Tour Historic Log Cabin at the Grand Junction...

    Office of Environmental Management (EM)

    Preservationists Tour Historic Log Cabin at the Grand Junction, Colorado, Office Preservationists Tour Historic Log Cabin at the Grand Junction, Colorado, Office April 19, 2016 - ...

  9. COMPARISON OF ACOUSTIC AND ELECTRICAL IMAGE LOGS FROM THE COSO...

    Open Energy Info (EERE)

    image log, but locally approach 100%. This fabric is unlikely to contribute to permeability in the reservoir. Acoustic image logs reveal a similar natural fracture population,...

  10. Chemical Logging At North Brawley Geothermal Area (Department...

    Open Energy Info (EERE)

    Chemical logs were made from well fluids for analysis when designing the first experimental power plant Notes Detailed logs of well fluids were recorded. Non-condensable gases...

  11. Logjam: A scalable unified log file archiver

    Energy Science and Technology Software Center (OSTI)

    2001-08-01

    Log files are a necessary record of events on any system. However, as systems scale, so does the volume of data captured. To complicate matters, this data can be distributed across all nodes within the system. This creates challenges in ways to obtain these files as well as archiving them in a consistent manner. It has become commonplace to develop a custom written utility for each system that is tailored specifically to that system. Formore » computer centers that contain multiple systems, each system would have their own respective utility for gathering and archiving log files. Each time a new log file is produced, a modification to the utility is necessary. With each modification, risks of errors could be introduced as well as spending time to introduce that change. This is precisely the purpose of logjam. Once installed, the code only requires modification when new features are required. A configuration file is used to identify each log file as well as where to harvest it and how to archive it. Adding a new log file is as simple as defining it in a configuration file and testing can be performed in the production environment.« less

  12. Development of pulsed neutron uranium logging instrument

    SciTech Connect (OSTI)

    Wang, Xin-guang; Liu, Dan; Zhang, Feng

    2015-03-15

    This article introduces a development of pulsed neutron uranium logging instrument. By analyzing the temporal distribution of epithermal neutrons generated from the thermal fission of {sup 235}U, we propose a new method with a uranium-bearing index to calculate the uranium content in the formation. An instrument employing a D-T neutron generator and two epithermal neutron detectors has been developed. The logging response is studied using Monte Carlo simulation and experiments in calibration wells. The simulation and experimental results show that the uranium-bearing index is linearly correlated with the uranium content, and the porosity and thermal neutron lifetime of the formation can be acquired simultaneously.

  13. Logging of subterranean wells using coiled tubing

    SciTech Connect (OSTI)

    Pilla, J.

    1991-01-15

    This patent describes an apparatus for production logging of a well utilizing artificial lift in a wellbore. It comprises: coiled tubing extending into the wellbore having wireline electrical cable passing through a central bore thereof and having a remote end within the wellbore which end is connected to gas injector means. The wireline cable passing through the gas injector means to a flexible electrically conductive support spacer having an end portion remote from the gas injector means and logging means connected to the end portion of the support spacer.

  14. Cationic electrodepositable coating composition comprising lignin

    DOE Patents [OSTI]

    Fenn, David; Bowman, Mark P; Zawacky, Steven R; Van Buskirk, Ellor J; Kamarchik, Peter

    2013-07-30

    A cationic electrodepositable coating composition is disclosed. The present invention in directed to a cationic electrodepositable coating composition comprising a lignin-containing cationic salt resin, that comprises (A) the reaction product of: lignin, an amine, and a carbonyl compound; (B) the reaction product of lignin, epichlorohydrin, and an amine; or (C) combinations thereof.

  15. INSPIRE and SPIRES Log File Analysis

    SciTech Connect (OSTI)

    Adams, Cole; /Wheaton Coll. /SLAC

    2012-08-31

    SPIRES, an aging high-energy physics publication data base, is in the process of being replaced by INSPIRE. In order to ease the transition from SPIRES to INSPIRE it is important to understand user behavior and the drivers for adoption. The goal of this project was to address some questions in regards to the presumed two-thirds of the users still using SPIRES. These questions are answered through analysis of the log files from both websites. A series of scripts were developed to collect and interpret the data contained in the log files. The common search patterns and usage comparisons are made between INSPIRE and SPIRES, and a method for detecting user frustration is presented. The analysis reveals a more even split than originally thought as well as the expected trend of user transition to INSPIRE.

  16. Logging while tripping cuts time to run gamma ray

    SciTech Connect (OSTI)

    1996-06-10

    A new logging tool, sent down the drillstring before a pipe trip out of the hole, logs the well as the pipe is pulled from the hole, cutting the total time required for open hole logging on some wells. This logging while tripping (LWT) technology allows an operator to run a gamma ray and neutron log more quickly than with standard wire line equipment. The drill pipe conveys the logging tools up the well as the pipe is tripped out, and the logging data are stored in the tool`s memory. A transparent logging collar, which meets API 7 and RP7G requirements, holds the tools in the drillstring without interfering with the logging measurements.

  17. Energy Efficiency in Log Homes | Department of Energy

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

    Design » Types of Homes » Energy Efficiency in Log Homes Energy Efficiency in Log Homes Consider energy efficiency when designing or purchasing a log home. | Photo courtesy of ©iStockphoto.com/tinabelle Consider energy efficiency when designing or purchasing a log home. | Photo courtesy of ©iStockphoto.com/tinabelle Log homes may be site-built or pre-cut in a factory for delivery to the site. Some log home manufacturers can also customize their designs. Before designing or purchasing a

  18. ADSORPTION METHOD FOR SEPARATING METAL CATIONS

    DOE Patents [OSTI]

    Khym, J.X.

    1959-03-10

    The chromatographic separation of fission product cations is discussed. By use of this method a mixture of metal cations containing Zr, Cb, Ce, Y, Ba, and Sr may be separated from one another. Mentioned as preferred exchange adsorbents are resins containing free sulfonic acid groups. Various eluants, such as tartaric acid, HCl, and citric acid, used at various acidities, are employed to effect the selective elution and separation of the various fission product cations.

  19. Formation Micro-Imager Logs (FMI) | Open Energy Information

    Open Energy Info (EERE)

    Logs (FMI) Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Formation Micro-Imager Logs (FMI) Author Shakeel Ahmed Published Publisher Not...

  20. Geophysical logging case history of the Raft River geothermal...

    Open Energy Info (EERE)

    logging case history of the Raft River geothermal system, Idaho Jump to: navigation, search OpenEI Reference LibraryAdd to library Report: Geophysical logging case history of the...

  1. Geochemical Mud Logging of geothermal drilling

    SciTech Connect (OSTI)

    Tonani, F.B.; Guidi, M.; Johnson, S.D.

    1988-01-01

    The experience and results described in the present paper were developed over nearly two decades, with a major R&D project around 1980. The expression Geochemical Mud Logging (GML) has ill defined meaning in the geothermal industry, and ought to be specified. We refer here to GML as featuring mud and formation fluid tracer(s) and temperature as the bare essentials and with specified accuracies. Air and water logging are expected to be less demanding with regard to analysis accuracy, but are not discussed in this report. During application of GML to several drill holes with low formation permeabilities and under conditions of high temperature and high mud weight, GML as specified, revealed unexpected influx of formation brine. Such influx was a recurring feature that has been referenced to individual fractures and reflects both fracture size and permeability. As a consequence, continuous or subcontinuous sampling of mud systems appears more cost effective than trying to keep up with cumulative changes of bulk mud composition; although, the latter approach is more sensitive to extremely low rate, steady, inflow of formation fluid into the mud system. It appears, that based on this influx of formation fluid, permeability can be estimated well before mud losses are detected and/or drill strings are stuck. The main advantages of GML are: (1) the capability to assess formation temperature and permeability in nearly real time, resulting in (a) assessments of undisturbed formation and (b) having data in hand for holes lost during drilling operations and (2) being effective under conditions of very high temperatures where electrical logs are very costly and less reliable. Estimated cost for GML is $1500 per day (1982) based on assessments of R&D operations. However, extrapolating to larger scale services and to different operating conditions is indeed difficult. GML cost is probably the only significant point of controversy with regard to GML being a viable evaluation tool.

  2. Logging Report for April 19th., and 20th., 1994, Temp/CCL Logs of EE-3A

    SciTech Connect (OSTI)

    Anderson, David W.

    1994-04-27

    Two Temperature/Casing-Collar Locator (CCL), logs of EE-3A were performed on April 19th., and 20th., 1994, in an effort to locate fractures where fluid exits the injection wellbore. The first log was run, to serve as background data for comparison to the second log, which was run after a period of injection. The first log was done under static conditions, (with the exceptions of fluid that escaped through the control head during the log, and the continuous venting of the annulus). The log was then repeated the next day, after an approximate six hours of injection, with the Rotojet pump (at a rate of approximately 24 gpm). It was hoped that the short injection period would create anomalies in temperature across fractures, which could be identified by the log. The results however, were less than hoped for. A depth-driven strip chart, recording both load-cell weight, and CCL was run on both logs. Also, it was planed to speed up the logging rate through the zone of 11,700' to 11,790', which was believed to be an area common to premature set-down. After looking at a variety of previously run logs however, it was determined that these set-downs could occur anywhere in the open hole. For this reason we logged the entire open hole, on both logs, at 75 ft., per minute, and experienced no premature set-downs on either log.

  3. Manager's Signature Log Privacy Impact Assessment, Office of Science

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

    Chicago Office | Department of Energy Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office (110.12 KB) More Documents & Publications Integrated Safety Management Workshop Registration, PIA, Idaho National

  4. Microsoft Word - FOIA Log FY 2001.doc

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

    1 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes/ 3/29/01 001 02/01/01 02/01/01 01-0021C Transfer AL Copies of all documents including studies and memoranda, which may identify or consider WIPP site in Carlsbad, NM as a potential site for storage or disposal of spent reactor fuel or high-level radioactive wastes 2. All documents including studies, memoranda, hypothesizing, considering, recommending, or suggesting the WIPP site in NM as an alternative site to the

  5. Microsoft Word - FOIA Log FY 2002.doc

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

    2 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes/ 1/30/02 001 12/3/02 12/21/02 Richland Transfer Richland Operation Office search for records they located documents originated by the DOE Carlsbad Field Office that may be responsive to Mr. Hongs request. By transfer of this letter they forwarded Mr. Hong request, along with the documents located at Richland to the Carlsbad FOIA Office. CBFO will respond directly to Mr. Hong with a release determination Yes/ 2/13/02

  6. Microsoft Word - FOIA Log FY 2003.doc

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

    3 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes/ 11/03/03 001 12/16/02 1/7/03 Transfer from HQ Documentation provided identifying all Waste Isolation Pilot Plant contractors and their sub- contractors, as well as the principals for those entities. Yes 2/20/04 002 12/16/02 1/7/03 Transfer from HQ Documentation provided concerning the following Waste Isolation Pilot Plant related items: 1) Notify as to whether any portion of Westinghouse TRU Solutions work has been

  7. Microsoft Word - FOIA Log FY 2004.doc

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

    4 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes 02/20/04 001 02/02/04 02/02/04 Direct Copies of my personnel records that are maintained at 401 N. Canal Street in Carlsbad, New Mexico Yes 03/29/04 002 03/24/04 03/29/04 Direct Transferred to HQ Asking for information regarding Gary K. King during DOE Secretary Bill Richardson's administration from 08//18/1998 through 02/20/2001, including: 1. Travel vouchers and official expenditures made by the United States

  8. Microsoft Word - FOIA Log FY 2007.doc

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

    7 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Finalized 02/08/07 001 10/05/06 01/08/07 Transfer from DOE- EM-CBC Copies of contract modifications, performance evaluations, task orders and task order proposals related to contract AT30-05EW03000 with Navarro Research and Engineering, Inc. Finalized 01/31/07 002 01/11/07 01/11/07 Direct For a copy of contract DE-AC04-95AL89446 for the period of September 1995 through the end of the contract. Also, if not included in

  9. Log amplifier with pole-zero compensation

    DOE Patents [OSTI]

    Brookshier, W.

    1985-02-08

    A logarithmic amplifier circuit provides pole-zero compensation for improved stability and response time over 6-8 decades of input signal frequency. The amplifer circuit includes a first operational amplifier with a first feedback loop which includes a second, inverting operational amplifier in a second feedstock loop. The compensated output signal is provided by the second operational amplifier with the log elements, i.e., resistors, and the compensating capacitors in each of the feedback loops having equal values so that each break point is offset by a compensating break point or zero.

  10. Log amplifier with pole-zero compensation

    DOE Patents [OSTI]

    Brookshier, William

    1987-01-01

    A logarithmic amplifier circuit provides pole-zero compensation for improved stability and response time over 6-8 decades of input signal frequency. The amplifier circuit includes a first operational amplifier with a first feedback loop which includes a second, inverting operational amplifier in a second feedback loop. The compensated output signal is provided by the second operational amplifier with the log elements, i.e., resistors, and the compensating capacitors in each of the feedback loops having equal values so that each break point or pole is offset by a compensating break point or zero.

  11. Role of Cation-Water Disorder during Cation Exchange in Small-Pore Zeolite

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

    Sodium Natrolite | Stanford Synchrotron Radiation Lightsource Role of Cation-Water Disorder during Cation Exchange in Small-Pore Zeolite Sodium Natrolite Thursday, October 31, 2013 Structural changes leading to disordering of the cation-water arrangement within the pores of zeolite natrolite while exchanging sodium (Na+) with potassium (K+) have been investigated using x-ray diffraction (XRD) and oxygen K-edge x-ray absorption spectroscopy (XAS). cation in zeolite sodium natrolite fig1

  12. Well Logging Security Initiatives | Y-12 National Security Complex

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

    Well Logging Security ... Well Logging Security Initiatives The mp4 video format is not supported by this browser. Download video Captions: On Watch as GTRI demonstrates the threat to the security of (oil) well logging systems and outlines the initiatives that are enhancing the security of these sources worldwide

  13. Method for encapsulating and isolating hazardous cations, medium for encapsulating and isolating hazardous cations

    DOE Patents [OSTI]

    Wasserman, Stephen R.; Anderson, Kenneth B.; Song, Kang; Yuchs, Steven E.; Marshall, Christopher L.

    1998-01-01

    A method for encapsulating hazardous cations is provided comprising supplying a pretreated substrate containing the cations; contacting the substrate with an organo-silane compound to form a coating on the substrate; and allowing the coating to cure. A medium for containing hazardous cations is also provided, comprising a substrate having ion-exchange capacity and a silane-containing coating on the substrate.

  14. Dual excitation acoustic paramagnetic logging tool

    DOE Patents [OSTI]

    Vail, III, William B.

    1989-01-01

    New methods and apparatus are disclosed which allow measurement of the presence of oil and water in gelogical formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleous present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth's magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation. The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be preformed in open boreholes and in cased well bores. The Dual Excitation Acoustic Paramagnetic Logging Tool employing two acoustic sources is also described.

  15. Dual excitation acoustic paramagnetic logging tool

    DOE Patents [OSTI]

    Vail, W.B. III.

    1989-02-14

    New methods and apparatus are disclosed which allow measurement of the presence of oil and water in geological formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleons present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth's magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation. The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be performed in open boreholes and in cased well bores. The Dual Excitation Acoustic Paramagnetic Logging Tool employing two acoustic sources is also described. 6 figs.

  16. Dewarless Logging Tool - 1st Generation

    SciTech Connect (OSTI)

    HENFLING,JOSEPH A.; NORMANN,RANDY A.

    2000-08-01

    This report focuses on Sandia National Laboratories' effort to create high-temperature logging tools for geothermal applications without the need for heat shielding. One of the mechanisms for failure in conventional downhole tools is temperature. They can only survive a limited number of hours in high temperature environments. For the first time since the evolution of integrated circuits, components are now commercially available that are qualified to 225 C with many continuing to work up to 300 C. These components are primarily based on Silicon-On-Insulator (SOI) technology. Sandia has developed and tested a simple data logger based on this technology that operates up to 300 C with a few limiting components operating to only 250 C without thermal protection. An actual well log to 240 C without shielding is discussed. The first prototype high-temperature tool measures pressure and temperature using a wire-line for power and communication. The tool is based around the HT83C51 microcontroller. A brief discussion of the background and status of the High Temperature Instrumentation program at Sandia, objectives, data logger development, and future project plans are given.

  17. Advancements in Anion Exchange Membrane Cations

    SciTech Connect (OSTI)

    Sturgeon, Matthew R.; Long, Hai; Park, Andrew M.; Pivovar, Bryan S.

    2015-10-15

    Anion-exchange membrane fuel cells (AME-FCs) are of increasingly popular interest as they enable the use of non-Pt fuel cell catalysts, the primary cost limitation of proton exchange membrane fuel cells. Benzyltrimethyl ammonium (BTMA) is the standard cation that has historically been utilized as the hydroxide conductor in AEMs. Herein we approach AEMs from two directions. First and foremost we study the stability of several different cations in a hydroxide solution at elevated temperatures. We specifically targeted BTMA and methoxy and nitro substituted BTMA. We've also studied the effects of adding an akyl spacer units between the ammonium cation and the phenyl group. In the second approach we use computational studies to predict stable ammonium cations, which are then synthesized and tested for stability. Our unique method to study cation stability in caustic conditions at elevated temperatures utilizes Teflon Parr reactors suitable for use under various temperatures and cation concentrations. NMR analysis was used to determine remaining cation concentrations at specific time points with GCMS analysis verifying product distribution. We then compare the experimental results with calculated modeling stabilities. Our studies show that the electron donating methoxy groups slightly increase stability (compared to that of BTMA), while the electron withdrawing nitro groups greatly decrease stability in base. These results give insight into possible linking strategies to be employed when tethering a BTMA like ammonium cation to a polymeric backbone; thus synthesizing an anion exchange membrane.

  18. Microsoft Word - FOIA Log FY 2005.doc

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

    5 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes 02/23/05 001 02/16/05 02/16/05 Direct Copies of the 2004 Modifications to the Westinghouse TRU Solutions contract (No. DE-AC- 04-01AL66444) for the management and operation of the Waste Isolation Pilot Plant. Yes 04/12/05 002 04/11/05 04/11/05 Direct Copies of the scope of work statement for the EE&G Oversight contract for the Waste Isolation Pilot Plant, dated 1999 or 2000 Yes 04/29/05 003 04/20/05 04/20/05

  19. Western tight gas sands advanced logging workshop proceedings

    SciTech Connect (OSTI)

    Jennings, J B; Carroll, Jr, H B

    1982-04-01

    An advanced logging research program is one major aspect of the Western Tight Sands Program. Purpose of this workshop is to help BETC define critical logging needs for tight gas sands and to allow free interchange of ideas on all aspects of the current logging research program. Sixteen papers and abstracts are included together with discussions. Separate abstracts have been prepared for the 12 papers. (DLC)

  20. Logging Calibration Models for Fission Neutron Sondes (September...

    Energy Savers [EERE]

    A Model for Water Factor Measurements With Fission-Neutron Logging Tools (May 1983) Field Calibration Facilities for Environmental Measurement of Radium, Thorium, and Potassium ...

  1. Pressure Temperature Log At Fish Lake Valley Area (DOE GTP) ...

    Open Energy Info (EERE)

    Fish Lake Valley Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Fish Lake Valley Area (DOE GTP)...

  2. Image Logs At Coso Geothermal Area (2011) | Open Energy Information

    Open Energy Info (EERE)

    Date 2011 Usefulness useful DOE-funding Unknown Exploration Basis Determine crustul stress heterogeneity Notes Borehole induced structures in image logs of wells from the Coso...

  3. Method for determining formation quality factor from well log...

    Office of Scientific and Technical Information (OSTI)

    factor from well log data and its application to seismic reservoir characterization Citation Details In-Document Search Title: Method for determining formation quality factor ...

  4. Signatures in flowing fluid electric conductivity logs (Journal...

    Office of Scientific and Technical Information (OSTI)

    including analysis of natural regional flowin the permeable layer. A numerical model simulates flow and transport inthe wellbore during flowing FEC logging, and fracture ...

  5. Gamma-Ray Logging Workshop (February 1981) | Department of Energy

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

    for Models Used for Calibration of Gross-Count Gamma-Ray Logging Systems (December 1983) Parameter Assignments for Spectral Gamma-Ray Borehole Calibration Models (April 1984)

  6. Borehole Logging Methods for Exploration and Evaluation of Uranium...

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

    for Models Used for Calibration of Gross-Count Gamma-Ray Logging Systems (December 1983) Parameter Assignments for Spectral Gamma-Ray Borehole Calibration Models (April 1984

  7. Pressure Temperature Log At Colrado Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Colrado Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Colrado Area (DOE GTP) Exploration Activity...

  8. Pressure Temperature Log At Alum Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Alum Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Alum Area (DOE GTP) Exploration Activity Details...

  9. FMI Log At Maui Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Maui Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At Maui Area (DOE GTP) Exploration Activity Details Location Maui...

  10. Pressure Temperature Log At Mccoy Geothermal Area (DOE GTP) ...

    Open Energy Info (EERE)

    Mccoy Geothermal Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Mccoy Geothermal Area (DOE GTP)...

  11. FMI Log At Wister Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Wister Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At Wister Area (DOE GTP) Exploration Activity Details Location...

  12. Pressure Temperature Log At Wister Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Wister Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Wister Area (DOE GTP) Exploration Activity...

  13. Pressure Temperature Log At Maui Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Maui Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Maui Area (DOE GTP) Exploration Activity Details...

  14. Acoustic Logs At Alum Area (Moos & Ronne, 2010) | Open Energy...

    Open Energy Info (EERE)

    tensile wall fractures, and were adequate to detect stratigraphic features. References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir...

  15. Gamma Log At Coso Geothermal Area (1977) | Open Energy Information

    Open Energy Info (EERE)

    Coso Geothermal Area (1977) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Gamma Log At Coso Geothermal Area (1977) Exploration Activity Details...

  16. Acoustic Logs At Coso Geothermal Area (1977) | Open Energy Information

    Open Energy Info (EERE)

    1977) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At Coso Geothermal Area (1977) Exploration Activity Details Location Coso...

  17. Neutron Log At Coso Geothermal Area (1977) | Open Energy Information

    Open Energy Info (EERE)

    Coso Geothermal Area (1977) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Neutron Log At Coso Geothermal Area (1977) Exploration Activity...

  18. Pressure Temperature Log At Fort Bliss Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Fort Bliss Area (DOE GTP) Exploration Activity Details Location Fort Bliss...

  19. Pressure Temperature Log At Silver Peak Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Silver Peak Area (DOE GTP) Exploration Activity Details Location Silver Peak...

  20. Pressure Temperature Log At Flint Geothermal Area (DOE GTP) ...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Flint Geothermal Area (DOE GTP) Exploration Activity Details Location Flint...

  1. Pressure Temperature Log At Glass Buttes Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Glass Buttes Area (DOE GTP) Exploration Activity Details Location Glass...

  2. Acoustic Logs At Coso Geothermal Area (2005) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At Coso Geothermal Area (2005) Exploration Activity Details Location Coso...

  3. Well Log Data At North Brawley Geothermal Area (Matlick & Jayne...

    Open Energy Info (EERE)

    to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Data At North Brawley Geothermal Area (Matlick & Jayne, 2008) Exploration Activity Details...

  4. Well Log Data At North Brawley Geothermal Area (Edmunds & W....

    Open Energy Info (EERE)

    to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Data At North Brawley Geothermal Area (Edmunds & W., 1977) Exploration Activity Details...

  5. Well Log Data At Blue Mountain Geothermal Area (Fairbank & Niggemann...

    Open Energy Info (EERE)

    to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Data At Blue Mountain Geothermal Area (Fairbank & Niggemann, 2004) Exploration Activity...

  6. Well Log Techniques At Newberry Caldera Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Techniques At Newberry Caldera Area (DOE GTP) Exploration Activity Details Location Newberry...

  7. Well Log Techniques At Coso Geothermal Area (1985) | Open Energy...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Techniques At Coso Geothermal Area (1985) Exploration Activity Details Location Coso Geothermal...

  8. Chemical Logging At Dixie Valley Geothermal Area (Los Alamos...

    Open Energy Info (EERE)

    Dixie Valley Geothermal Area (Los Alamos National Laboratory, NM, 2002) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Chemical Logging At Dixie...

  9. Chemical logging- a geothermal technique | Open Energy Information

    Open Energy Info (EERE)

    technique Abstract Chemical logging studies conducted at the Department of Energy's Raft River Geothermal Test Site in south central Idaho resulted in the development of a...

  10. Chemical Logging At Raft River Geothermal Area (1979) | Open...

    Open Energy Info (EERE)

    Raft River Geothermal Area (1979) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Chemical Logging At Raft River Geothermal Area (1979)...

  11. Acoustic Logs At Raft River Geothermal Area (1979) | Open Energy...

    Open Energy Info (EERE)

    Raft River Geothermal Area (1979) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At Raft River Geothermal Area (1979) Exploration...

  12. Energy Efficiency in Log Homes | Department of Energy

    Office of Environmental Management (EM)

    or purchasing a manufactured log home, you should consider several factors related to energy efficiency. The R-Value of Wood A material's thermal resistance or resistance to...

  13. Selecting The Optimal Logging Suite For Geothermal Reservoir...

    Open Energy Info (EERE)

    and tensile wall fractures, and were adequate to detect stratigraphic features. Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient...

  14. Density Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log At Valles Caldera - Redondo Geothermal Area (Rowley, Et Al., 1987) Exploration...

  15. Density Log At Valles Caldera - Redondo Geothermal Area (Wilt...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log At Valles Caldera - Redondo Geothermal Area (Wilt & Haar, 1986) Exploration...

  16. Evaluation of Emerging Technology for Geothermal Drilling and Logging Applications

    Broader source: Energy.gov [DOE]

    Evaluation of Emerging Technology for Geothermal Drilling and Logging Applications presentation at the April 2013 peer review meeting held in Denver, Colorado.

  17. Drag reduction in coal log pipelines

    SciTech Connect (OSTI)

    Marrero, T.R.; Liu, H.

    1996-12-31

    It is well-known that solutions of dissolved long-chain macromolecules produce lower friction or drag losses than with the solvent alone. In coal log pipeline (CLP), water is the conveying medium. Synthetic polymers such as poly(ethylene oxide) have been dissolved in water and tested for their extent of drag reduction as a function of concentration and other variables. Lab-scale experimental results for CLP indicate substantial drag reduction at low concentration levels of polymer. But, the macromolecules exhibit degradation under mechanical shear stresses. The large molecules break into smaller units. This degradation effect causes a loss of drag reduction. However, high levels of drag reduction can be maintained as follows: (1) by injecting polymer into the CLP at several locations along the pipeline, (2) by injecting polymer of different particle sizes, (3) by using more robust types of polymers, or (4) by using polymer-fiber mixtures. This report presents the value of drag-reducing agents in terms of pumping power net cost savings. In addition, this report outlines the environmental impact of drag reduction polymers, and end-of-pipeline water treatment processes. For an operating CLP, hundreds of miles in length, the use of poly(ethylene oxide) as a drag reducing agent provides significant pumping power cost savings at a minimal materials cost.

  18. Method for encapsulating and isolating hazardous cations, medium for encapsulating and isolating hazardous cations

    DOE Patents [OSTI]

    Wasserman, S.R.; Anderson, K.B.; Song, K.; Yuchs, S.E.; Marshall, C.L.

    1998-04-28

    A method for encapsulating hazardous cations is provided comprising supplying a pretreated substrate containing the cations; contacting the substrate with an organo-silane compound to form a coating on the substrate; and allowing the coating to cure. A medium for containing hazardous cations is also provided, comprising a substrate having ion-exchange capacity and a silane-containing coating on the substrate. 3 figs.

  19. ABSORPTION METHOD FOR SEPARATING METAL CATIONS

    DOE Patents [OSTI]

    Tompkins, E.R.; Parker, G.W.

    1959-03-10

    An improved method is presented for the chromatographic separation of fission products wherein a substantial reduction in liquid volume is obtained. The process consists in contacting a solution containing fission products with a body of ion-exchange adsorbent to effect adsorption of fission product cations. The loaded exchange resin is then contacted with a small volume of a carboxylic acid eluant, thereby recovering the fission products. The fission product carrying eluate is acidified without increasing its volume to the volume of the original solution, and the acidified eluate is then used as a feed solution for a smaller body of ion-exchange resin effecting readsorption of the fission product cations.

  20. Geothermal well log interpretation state of the art. Final report

    SciTech Connect (OSTI)

    Sanyal, S.K.; Wells, L.E.; Bickham, R.E.

    1980-01-01

    An in-depth study of the state of the art in Geothermal Well Log Interpretation has been made encompassing case histories, technical papers, computerized literature searches, and actual processing of geothermal wells from New Mexico, Idaho, and California. A classification scheme of geothermal reservoir types was defined which distinguishes fluid phase and temperature, lithology, geologic province, pore geometry, salinity, and fluid chemistry. Major deficiencies of Geothermal Well Log Interpretation are defined and discussed with recommendations of possible solutions or research for solutions. The Geothermal Well Log Interpretation study and report has concentrated primarily on Western US reservoirs. Geopressured geothermal reservoirs are not considered.

  1. Proceedings of the second PFN uranium logging seminar

    SciTech Connect (OSTI)

    Not Available

    1983-01-01

    The Prompt Fission Neutron (PFN) uranium logging system developed by Sandia National Laboratories for the US Department of Energy is described in some detail in papers by the staff that was involved in the final phase of the development project, and by others associated with the project as users of the logging probe or builders of some of the probe hardware. Descriptions are provided of the probe's electronic circuits, the uphole instrumentation, the log interpretation technique, field experience, neutron detection hardware, neutron generator design, life-test results, and observations by Bendix Field Engineering Corporation personnel regarding the use of the probe and its results.

  2. Process and apparatus for the production of BI-213 cations

    DOE Patents [OSTI]

    Horwitz, E. Philip; Hines, John J.; Chiarizia, Renato; Dietz, Mark

    1998-01-01

    A process for producing substantially impurity-free Bi-213 cations is disclosed. An aqueous acid feed solution containing Ac-225 cations is contacted with an ion exchange medium to bind the Ac-225 cations and form an Ac-225-laden ion exchange medium. The bound Ac-225 incubates on the ion exchange medium to form Bi-213 cations by radioactive decay. The Bi-213 cations are then recovered from the Ac-225-laden ion exchange medium to form a substantially impurity-free aqueous Bi-213 cation acid solution. An apparatus for carrying out this process is also disclosed.

  3. Process and apparatus for the production of Bi-213 cations

    DOE Patents [OSTI]

    Horwitz, E.P.; Hines, J.J.; Chiarizia, R.; Dietz, M.

    1998-12-29

    A process for producing substantially impurity-free Bi-213 cations is disclosed. An aqueous acid feed solution containing Ac-225 cations is contacted with an ion exchange medium to bind the Ac-225 cations and form an Ac-225-laden ion exchange medium. The bound Ac-225 incubates on the ion exchange medium to form Bi-213 cations by radioactive decay. The Bi-213 cations are then recovered from the Ac-225-laden ion exchange medium to form a substantially impurity-free aqueous Bi-213 cation acid solution. An apparatus for carrying out this process is also disclosed. 7 figs.

  4. Interaction of the cesium cation with calix[4]arene-bis(t-octylbenzo-18-crown-6): Extraction and DFT study

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Toman, Petr; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the extraction constant corresponding to the equilibrium Cs+ (aq) + I (aq) + 1 (org),1Cs+ (org) + I (org) taking place in the two-phase water-phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as logKex (1Cs+, I) = 2.1 0.1. Further, the stability constant of the 1Cs+ complex in FS 13 saturated with water was calculated for a temperature of 25 C: log borg (1Cs+) = 9.9 0.1. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1Cs+ was derived. In the resulting 1Cs+ complex, the central cation Cs+ is bound by eight bond interactions to six oxygen atoms of the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent ligand 1 via cation p interaction.

  5. Image Logs At Coso Geothermal Area (2004) | Open Energy Information

    Open Energy Info (EERE)

    Coso Geothermal Region Notes During the second year of this project, wellbore logs and stress data were acquired in a new production well drilled in the Coso Geothermal Field,...

  6. Long Valley Caldera Field Trip Log | Open Energy Information

    Open Energy Info (EERE)

    to library Conference Paper: Long Valley Caldera Field Trip Log Abstract NA Authors Gene A. Suemnicht and Bastien Poux Conference NGA Long Valley Field Trip, July 5-7, 2012;...

  7. Efficiently log and perforate 60 + wells with coiled tubing

    SciTech Connect (OSTI)

    Fertl, W.H.; Hotz, R.F.

    1987-07-01

    In today's petroleum industry, more and more emphasis is being placed on logging and completion techniques for highly deviated (extended-reach) and horizontal boreholes. This is the result of cost-effective development of oil and gas via: a minimum number of production platforms on large structures, incremental but marginal reserves in outlying and/or small fault blocks, shallow reservoirs in deep offshore waters, and significant hydrocarbon accumulations in environmentally sensitive and/or restrictive areas, e.g., perma-frost, urban areas, etc. The major challenge in logging such high-angle, extended-reach, and also horizontal boreholes is guiding the logging tool string to the bottom of the wellbore. In the horizontal portion of a borehole, the use of coiled tubing has proven successful in ''pushing'' the logging instrumentation toward the bottom (end) of the borehole.

  8. JOBAID-LOGGING IN TO THE OLC LEARNING SYSTEM

    Office of Energy Efficiency and Renewable Energy (EERE)

    In this job aid you will Log In to the system, Retrieve Forgotten Password and/or User ID, and Use the LMS Help System built into the application.

  9. NMOCD - Form G-105 - Geothermal Resources Well Log | Open Energy...

    Open Energy Info (EERE)

    Jump to: navigation, search OpenEI Reference LibraryAdd to library General: NMOCD - Form G-105 - Geothermal Resources Well Log Author State of New Mexico Energy and Minerals...

  10. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity.

  11. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions which are needed for formation evaluation by NMR well logging. NMR well logging is finding wide use in formation evaluation. The formation parameters commonly estimated were porosity, permeability, and capillary bound water. Special cases include estimation of oil viscosity, residual oil saturation, location of oil/water contact, and interpretation on whether the hydrocarbon is oil or gas.

  12. Role of Cation-Water Disorder during Cation Exchange in Small...

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

    while exchanging sodium (Na+) with potassium (K+) have been investigated using x-ray diffraction (XRD) and oxygen K-edge x-ray absorption spectroscopy (XAS). cation in zeolite...

  13. Geothermometry At Coso Geothermal Area (1980) | Open Energy Informatio...

    Open Energy Info (EERE)

    DOE-funding Unknown Exploration Basis Fluid temperature of feed water Notes Cation and sulfate isotope geothermometers indicate that the reservoir feeding water to the Coso Hot...

  14. Alkaline earth cation extraction from acid solution

    DOE Patents [OSTI]

    Dietz, Mark; Horwitz, E. Philip

    2003-01-01

    An extractant medium for extracting alkaline earth cations from an aqueous acidic sample solution is described as are a method and apparatus for using the same. The separation medium is free of diluent, free-flowing and particulate, and comprises a Crown ether that is a 4,4'(5')[C.sub.4 -C.sub.8 -alkylcyclohexano]18-Crown-6 dispersed on an inert substrate material.

  15. Data Compendium for the Logging Test Pits at the ERDA Grand Junction...

    Office of Environmental Management (EM)

    Data Compendium for the Logging Test Pits at the ERDA Grand Junction Compound (December 1975) Data Compendium for the Logging Test Pits at the ERDA Grand Junction Compound ...

  16. Neutron Log At Alum Area (Moos & Ronne, 2010) | Open Energy Informatio...

    Open Energy Info (EERE)

    Technique Neutron Log Activity Date Usefulness useful DOE-funding Unknown Notes Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient...

  17. Gamma Log At Alum Area (Moos & Ronne, 2010) | Open Energy Information

    Open Energy Info (EERE)

    Technique Gamma Log Activity Date Usefulness useful DOE-funding Unknown Notes Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient...

  18. Technical evaluation of software for gamma-ray logging system

    SciTech Connect (OSTI)

    Stromswold, D.C.

    1994-05-01

    This report contains results of a technical review of software, identified as LGCALC, that processes data collected by a high-resolution gamma-ray borehole logging system. The software presently operates within Westinghouse Hanford Company, Department of Geosciences, to process data collected by the Radionuclide Logging System. The software has been reviewed for its suitability for processing data to be collected by new high-resolution gamma-ray logging trucks scheduled to begin operational tests within Westinghouse Tank Waste Remediation Systems during 1994. Examination of the program code and hands-on operational tests have shown that this software is suitable for its intended use of processing high-resolution gamma-ray data obtained from borehole logging. Most of the code requires no changes, but in a few limited cases, suggestions have been made to correct errors or improve operation. Section 4 describes these changes. The technical review has confirmed the appropriateness, correctness, completeness, and coding accuracy of algorithms used to process spectral gamma-ray data, leading to a calculation of subsurface radionuclide contaminants. Running the program with test data from calibration models has confirmed that the program operates correctly. Comparisons with hand calculations have shown the correctness of the output from the program, based on known input data. Section 3 describes these tests. The recommended action is to make the near term programming changes suggested in Section 4.1 and then use the LGCALC analysis program with the new high-resolution logging systems once they have been properly calibrated.

  19. Logging with coiled tubing less effective than with drill pipe

    SciTech Connect (OSTI)

    Van Den Bosch, R. )

    1994-01-31

    Coiled tubing offered neither economic nor operational advantages over drill pipe for conveying logging tools in open hole shallow horizontal wells in Germany. In the past 2 years, Mobil Erdgas-Erdoel GMbH (MEEG) participated in completing eight shallow horizontal wells. These were medium-to-short radius wells at measured depths of between 850 and 2,000 m. The average horizontal section was 350 m. The logging tools were conveyed by coiled tubing or drill pipe. MEEG attempted to log five wells with coiled tubing-conveyed tools, four with 1 1/2-in. tubing. Total depth was reached reliably in only one well, the shallowest and with the shortest horizontal section. Simulation programs were unreliable for calculating the downhole forces of the coil/tool combination or predicting possible helical lockups. In wells with drill pipe-conveyed logs, the tool combination could always be pushed to total depth, and the operations were generally faster and cost less than logging with coiled tubing. Also, drill pipe allowed longer and heavier tool strings. For reliable operations, coiled tubing needs to be more rigid, rig-up/rig-down times need to be improved, and the simulation programs must be more reliable for predicting downhole lock-up.

  20. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    George J. Hirasaki; Kishore K. Mohanty

    2005-09-05

    The objective of this report is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity. Oil based drilling fluids can have an adverse effect on NMR well logging if it alters the wettability of the formation. The effect of various surfactants on wettability and surface relaxivity are evaluated for silica sand. The relation between the relaxation time and diffusivity distinguishes the response of brine, oil, and gas in a NMR well log. A new NMR pulse sequence in the presence of a field gradient and a new inversion technique enables the T{sub 2} and diffusivity distributions to be displayed as a two-dimensional map. The objectives of pore morphology and rock characterization are to identify vug connectivity by using X-ray CT scan, and to improve NMR permeability correlation. Improved estimation of permeability from NMR response is possible by using estimated tortuosity as a parameter to interpolate between two existing permeability models.

  1. Dual-cone double-helical downhole logging device

    DOE Patents [OSTI]

    Yu, Jiunn S.

    1984-01-01

    A broadband downhole logging device includes a double-helix coil wrapped over a dielectric support and surrounded by a dielectric shield. The device may also include a second coil longitudinally aligned with a first coil and enclosed within the same shield for measuring magnetic permeability of downhole formations and six additional coils for accurately determining downhole parameters.

  2. Nanoheterostructure Cation Exchange: Anionic Framework Conservation

    SciTech Connect (OSTI)

    Jain, Prashant K.; Amirav, Lilac; Aloni, Shaul; Alivisatos, A. Paul

    2010-05-11

    In ionic nanocrystals the cationic sub-lattice can be replaced with a different metal ion via a fast, simple, and reversible place-exchange, allowing post-synthetic modification of the composition of the nanocrystal, while preserving its size and shape. Here, we demonstrate for the first time that during such an exchange, the anionic framework of the crystal is preserved. When applied to nanoheterostructures, this phenomenon ensures that compositional interfaces within the heterostructure are conserved throughout the transformation. For instance, a morphology composed of a CdSe nanocrystal embedded in a CdS rod (CdSe/CdS) was exchanged to a PbSe/PbS nanorod via a Cu2Se/Cu2S structure. During every exchange cycle, the seed size and position within the nanorod were preserved, as evident by excitonic features, Z-contrast imaging, and elemental line-scans. Anionic framework conservation extends the domain of cation exchange to the design of more complex and unique nanostructures.

  3. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOE Patents [OSTI]

    O`Neill, M.A.; Pellerin, P.J.M.; Warrenfeltz, D.; Vidal, S.; Darvill, A.G.; Albersheim, P.

    1999-03-02

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations. 15 figs.

  4. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOE Patents [OSTI]

    O'Neill, Malcolm A.; Pellerin, Patrice J. M.; Warrenfeltz, Dennis; Vidal, Stephane; Darvill, Alan G.; Albersheim, Peter

    1999-01-01

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations.

  5. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured...

    Office of Scientific and Technical Information (OSTI)

    Fractured Soil Under Transient Conditions Citation Details In-Document Search Title: Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil Under Transient ...

  6. Photoneutron logging system for direct uranium ore-grade determination

    SciTech Connect (OSTI)

    Baker, M.P.; Marks, T.

    1982-06-01

    A prototype photoneutron probe for direct uranium assay in exploratory boreholes has been built and field tested. An approx. 10-Ci /sup 124/Sb gamma-ray source together with a beryllium converter is used to produce neutrons that diffuse into the surrounding formation and cause fissions in any /sup 235/U present. The fission neutrons that return to the probe are energy analyzed and counted by a high-pressure helium detector, thus indicating the concentration of uranium. The response of the probe was measured in concrete models at the US Department of Energy (Grand Junction, Colorado) calibration facility and found to be approx. 35 counts/s for an 1% U/sub 3/O/sub 8/ concentration in an 11.4-cm-diam water-filled borehole (4.5 in.). The response is linear up to a concentration of at least 0.25% by weight U/sub 3/O/sub 8/. Effects resulting from changes in formation density, porosity, and neutron absorber content were also quantified, as well as the tool response as a function of borehole diameter and fluid. A logging vehicle was outfitted, and the photoneutron-based logging system was field tested at an exploration site near Canon City, Colorado. Logging data obtained in several open holes at this site are presented and compared to core chemical analyses and results obtained in the same holes using other logging methods. In about 1 month of field testing, the photoneutron-based uranium exploration system has proved to be simple to use and very reliable. 22 figures, 12 tables.

  7. CATION EXCHANGE METHOD FOR THE RECOVERY OF PROTACTINIUM

    DOE Patents [OSTI]

    Studier, M.H.; Sullivan, J.C.

    1959-07-14

    A cation exchange prccess is described for separating protactinium values from thorium values whereby they are initially adsorbed together from an aqueous 0.1 to 2 N hydrochloric acid on a cation exchange resin in a column. Then selectively eluting the thorium by an ammonium sulfate solution and subsequently eluting the protactinium by an oxalate solution.

  8. High capacity nickel battery material doped with alkali metal cations

    DOE Patents [OSTI]

    Jackovitz, John F.; Pantier, Earl A.

    1982-05-18

    A high capacity battery material is made, consisting essentially of hydrated Ni(II) hydroxide, and about 5 wt. % to about 40 wt. % of Ni(IV) hydrated oxide interlayer doped with alkali metal cations selected from potassium, sodium and lithium cations.

  9. Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Toman, Petr; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and -activity measurements, the exchange extraction constant corresponding to the equilibrium Tl+ (aq) + 1 Cs+ (org) 1 Tl+ (org) + Cs+ (aq) taking place in the two-phase water phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as log Kex (Tl+, 1 Cs+) = 1.7 0.1. Further, the extraordinarily high stability constant of the 1 Tl+ complex in FS 13 saturated with water was calculated for a temperature of 25 C: log org(1 Tl+) = 13.1 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1 Tl+ was derived. In the resulting 1 Tl+ complex, the central cation Tl+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent receptor 1 via cation interaction.

  10. E-print Network Web Log News: Research Communications for Scientists...

    Office of Scientific and Technical Information (OSTI)

    Description This Web Log provides the latest information about changes to E-print Network ... questions, concerns and other input by using the Contact Us page. Web Log Archive

  11. AmeriFlux BR-Sa3 Santarem-Km83-Logged Forest

    SciTech Connect (OSTI)

    Goulden, Mike

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site BR-Sa3 Santarem-Km83-Logged Forest. Site Description - Cleared forest. Logged site is near km 83 along BR-183.

  12. Logging into Deltek Time & Expense (T&E) | The Ames Laboratory

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

    Logging into Deltek Time & Expense (T&E) Document Number: NA Effective Date: 07/2014

  13. High voltage supply for neutron tubes in well logging applications

    DOE Patents [OSTI]

    Humphreys, D. Russell

    1989-01-01

    A high voltage supply is provided for a neutron tube used in well logging. The "biased pulse" supply of the invention combines DC and "full pulse" techniques and produces a target voltage comprising a substantial negative DC bias component on which is superimposed a pulse whose negative peak provides the desired negative voltage level for the neutron tube. The target voltage is preferably generated using voltage doubling techniques and employing a voltage source which generates bipolar pulse pairs having an amplitude corresponding to the DC bias level.

  14. FORTE log periodic antenna. Phase 1, Final report

    SciTech Connect (OSTI)

    Not Available

    1993-04-22

    This report summarizes the results of ABLE`s design study of the FORTE deployable log periodic antenna. The resulting Baseline Design of the antenna is the basis for ABLE`s proposal for Phase II of this program. ABLE`s approach to meeting the requirements is to use a coilable ABLE mast as the deployable structure ``backbone`` of the antenna and to use deployable tubes for. the log periodic dipole elements of the antenna. This general approach was adopted at the outset of the Phase I Design Study. The remainder of the study was devoted to detailed design and analysis to properly size these types of mast and antenna elements and to design their deployment mechanisms. Demonstration models of the mast and antenna element deployer were fabricated as part of Phase I study. The study showed that ABLE`s design approach is feasible and can meet all the specified design requirements except the mass limit of 13.5 kg. Results of the design and analysis studies are summarized in this report. The mast and dipole element deployer are to be demonstrated to LANL personnel at the conclusion of this Phase I study.

  15. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E. Philip (Naperville, IL); Chiarizia, Renato (Elmhurst, IL); Dietz, Mark L. (Evanston, IL)

    1998-12-22

    An extraction chromatographic material for extracting metal cations from a liquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methanediphosphonic acid on an inert particulate support.

  16. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E. Philip (Naperville, IL); Chiarizia, Renato (Elmhurst, IL); Dietz, Mark L. (Evanston, IL)

    1997-01-01

    An extraction chromatographic material for extracting metal cations from a iquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methanediphosphonic acid on an inert particulate support.

  17. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E.P.; Chiarizia, R.; Dietz, M.L.

    1997-07-29

    An extraction chromatographic material is described for extracting metal cations from a liquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methanediphosphonic acid on an inert particulate support. 7 figs.

  18. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E.P.; Chiarizia, R.; Dietz, M.L.

    1998-12-22

    An extraction chromatographic material is described for extracting metal cations from a liquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methane-diphosphonic acid on an inert particulate support. 7 figs.

  19. Mechanistic Insight into the Formation of Cationic Naked Nanocrystals

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

    Generated Under Equilibrium Control - Joint Center for Energy Storage Research October 24, 2014, Research Highlights Mechanistic Insight into the Formation of Cationic Naked Nanocrystals Generated Under Equilibrium Control Pre-JCESR stripping chemistries (for cationic NC): NOBF4 (strong oxidant, not suitable for many compositions, ~$600/mol) Et3OBF4 (mild, but still causes adatom desorption for some sensitive compositions, ~$800/mol) New ligand-stripping chemistry developed within JCESR:

  20. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Characterization of Selective Binding of Alkali Cations with Carboxylate Print Wednesday, 24 September 2008 00:00 During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of

  1. Hydrocarbon segregation from well logs, Northern Monagas, Venezuela

    SciTech Connect (OSTI)

    Garcia, E. )

    1993-02-01

    A methodology is described to determine vertical hydrocarbon density variations in recent oil discoveries in Northern Monagas state, using well logs. Similarities and differences are established for models obtained in El Carito and El Tejero fault block-s. These models were confirmed using independent information, such as PVT analysis, RFT pressures, oil gravity and GOR's from initial production tests. To explain differences between the models, an hypothesis is proposed for the migration/segregation/deformation sequence in these two blocks, which accounts for the presence of lighter hydrocarbons in El Tejero block, even though it is 1700 ft structurally lower than El Carito. Based on this hypothesis, westward projection of the models predicts lighter hydrocarbons and similar porosities for Casupal-Mata Granda and Tonoro blocks, at depths considerably greater than in El Tejero block.

  2. Cation Uptake and Allocation by Red Pine Seedlings under Cation-Nutrient Stress in a Column Growth Experiment

    SciTech Connect (OSTI)

    Shi, Zhenqing; Balogh-Brunstad, Zsuzsanna; Grant, Michael R.; Harsh, James B.; Gill, Richard; Thomashow, Linda; Dohnalkova, Alice; Stacks, Daryl; Letourneau, Melissa; Keller, Chester K.

    2014-01-10

    Background and Aims Plant nutrient uptake is affected by environmental stress, but how plants respond to cation-nutrient stress is poorly understood. We assessed the impact of varying degrees of cation-nutrient limitation on cation uptake in an experimental plant-mineral system. Methods Column experiments, with red pine (Pinus resinosa Ait.) seedlings growing in sand/mineral mixtures, were conducted for up to nine months under a range of Ca- and K-limited conditions. The Ca and K were supplied from both minerals and nutrient solutions with varying Ca and K concentrations. Results Cation nutrient stress had little impact on carbon allocation after nine months of plant growth and K was the limiting nutrient for biomass production. The Ca/Sr and K/Rb ratio results allowed independent estimation of dissolution incongruency and discrimination against Sr and Rb during cation uptake processes. The fraction of K in biomass from biotite increased with decreasing K supply from nutrient solutions. The mineral anorthite was consistently the major source of Ca, regardless of nutrient treatment. Conclusions Red pine seedlings exploited more mineral K in response to more severe K deficiency. This did not occur for Ca. Plant discrimination factors must be carefully considered to accurately identify nutrient sources using cation tracers.

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

    Open Energy Info (EERE)

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

  4. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J.; Chen, You-Xian

    1999-01-01

    A cationic metallocene complex with trisperfluorobiphenyl borate for use as a polymerization catalyst.

  5. New Mexico Play Fairway Analysis: Gamma Ray Logs and Heat Generation Calculations for SW New Mexico

    SciTech Connect (OSTI)

    Shari Kelley

    2015-10-23

    For the New Mexico Play fairway Analysis project, gamma ray geophysical well logs from oil wells penetrating the Proterozoic basement in southwestern New Mexico were digitized. Only the portion of the log in the basement was digitized. The gamma ray logs are converted to heat production using the equation (Bucker and Rybach, 1996) : A[µW/m3] = 0.0158 (Gamma Ray [API] – 0.8).

  6. Nonprofit Organizations: Have Your Los Alamos Employees/Retirees Log Hours

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

    in VolunteerMatch Nonprofit Organizations: Have Your Los Alamos Employees/Retirees Log Hours in VolunteerMatch Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue: September 1, 2016 all issues All Issues » submit Nonprofit Organizations: Have Your Los Alamos Employees/Retirees Log Hours in VolunteerMatch Lab employees and retirees should log their VolunteerMatch hours to benefit local nonprofits. March 1, 2013 Volunteers help fill

  7. In situ remediation process using divalent metal cations

    DOE Patents [OSTI]

    Brady, Patrick V.; Khandaker, Nadim R.; Krumhansl, James L.; Teter, David M.

    2004-12-14

    An in situ process for treating ambient solid materials (e.g., soils, aquifer solids, sludges) by adding one or more divalent metal cations to the ambient solid material. The added divalent metal cations, such as Cu.sup.2+ or Zn.sup.2+, combine with metal oxide/hydroxides (e.g., ferric oxide/hydroxide or aluminum oxide/hydroxide) already present in the ambient solid material to form an effective sorbent material having a large number of positively-charged surface complexes that binds and immobilizes anionic contaminant species (e.g., arsenic or chromate). Divalent metal cations can be added, for example, by injecting an aqueous solution of CuSO.sub.4 into an aquifer contaminated with arsenic or chromate. Also, sludges can be stabilized against leaching of anionic contaminants through the addition of divalent metal cations. Also, an inexpensive sorbent material can be easily formed by mixing divalent metal cations with soil that has been removed from the ground.

  8. Density Log at Fish Lake Valley Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Fish Lake Valley Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Fish Lake Valley Area (DOE GTP) Exploration...

  9. Resistivity Log At Fish Lake Valley Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Fish Lake Valley Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Resistivity Log At Fish Lake Valley Area (DOE GTP) Exploration...

  10. Well Log Data At Dixie Valley Geothermal Area (Mallan, Et Al...

    Open Energy Info (EERE)

    conducted to help characterize the geothermal reservoir by employing electromagnetic induction logging. The goal was to discern subsurface features that are useful in geothermal...

  11. FMI Log At Glass Buttes Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Glass Buttes Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At Glass Buttes Area (DOE GTP) Exploration Activity Details...

  12. Gamma Log At Flint Geothermal Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Flint Geothermal Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Gamma Log At Flint Geothermal Area (DOE GTP) Exploration Activity...

  13. Gamma Log At Silver Peak Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Silver Peak Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Gamma Log At Silver Peak Area (DOE GTP) Exploration Activity Details...

  14. Resistivity Log At Fort Bliss Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Resistivity Log At Fort Bliss Area (DOE GTP) Exploration Activity Details Location Fort...

  15. Neutron Log At Silver Peak Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Silver Peak Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Neutron Log At Silver Peak Area (DOE GTP) Exploration Activity Details...

  16. Acoustic Logs At The Needles Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    The Needles Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At The Needles Area (DOE GTP) Exploration Activity...

  17. Resistivity Log At The Needles Area (DOE GTP) | Open Energy Informatio...

    Open Energy Info (EERE)

    The Needles Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Resistivity Log At The Needles Area (DOE GTP) Exploration Activity...

  18. Cross-Dipole Acoustic Log At Alum Area (Moos & Ronne, 2010) ...

    Open Energy Info (EERE)

    oriented in the strike direction of the fault and of the dipping sediments. References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir...

  19. Resistivity Log At Fort Bliss Area (Combs, Et Al., 1999) | Open...

    Open Energy Info (EERE)

    well. A suite of geophysical logs (gamma ray, neutron, sonic, and resistivity) was also run after completion of drilling. References Jim Combs, John T. Finger, Colin Goranson,...

  20. Gamma Log At Fort Bliss Area (Combs, Et Al., 1999) | Open Energy...

    Open Energy Info (EERE)

    well. A suite of geophysical logs (gamma ray, neutron, sonic, and resistivity) was also run after completion of drilling. References Jim Combs, John T. Finger, Colin Goranson,...

  1. Neutron Log At Fort Bliss Area (Combs, Et Al., 1999) | Open Energy...

    Open Energy Info (EERE)

    well. A suite of geophysical logs (gamma ray, neutron, sonic, and resistivity) was also run after completion of drilling. References Jim Combs, John T. Finger, Colin Goranson,...

  2. Pressure Temperature Log At Soda Lake Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Soda Lake Area (DOE GTP) Exploration Activity Details Location Soda Lake...

  3. Well Log Techniques At Snake River Plain Region (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Techniques At Snake River Plain Region (DOE GTP) Exploration Activity Details Location Snake...

  4. Well Log Data At Dixie Valley Geothermal Area (Barton, Et Al...

    Open Energy Info (EERE)

    Exploration Basis Well log data was used to investigate the relationship between permeability and the contemporary in situ stress field in the Dixie Valley Geothermal Reservoir....

  5. FMI Log At New River Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At New River Area (DOE GTP) Exploration Activity Details Location New River Area...

  6. Density Log at Gabbs Valley Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Gabbs Valley Area (DOE GTP) Exploration Activity Details Location Gabbs Valley...

  7. Density Log at Fort Bliss Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Fort Bliss Area (DOE GTP) Exploration Activity Details Location Fort Bliss...

  8. Density Log at Silver Peak Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Silver Peak Area (DOE GTP) Exploration Activity Details Location Silver Peak...

  9. Density Log at Alum Area (Moos & Ronne, 2010) | Open Energy Informatio...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Alum Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum...

  10. Calibration models for density borehole logging - construction report

    SciTech Connect (OSTI)

    Engelmann, R.E.; Lewis, R.E.; Stromswold, D.C.

    1995-10-01

    Two machined blocks of magnesium and aluminum alloys form the basis for Hanford`s density models. The blocks provide known densities of 1.780 {plus_minus} 0.002 g/cm{sup 3} and 2.804 {plus_minus} 0.002 g/cm{sup 3} for calibrating borehole logging tools that measure density based on gamma-ray scattering from a source in the tool. Each block is approximately 33 x 58 x 91 cm (13 x 23 x 36 in.) with cylindrical grooves cut into the sides of the blocks to hold steel casings of inner diameter 15 cm (6 in.) and 20 cm (8 in.). Spacers that can be inserted between the blocks and casings can create air gaps of thickness 0.64, 1.3, 1.9, and 2.5 cm (0.25, 0.5, 0.75 and 1.0 in.), simulating air gaps that can occur in actual wells from hole enlargements behind the casing.

  11. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    Hirasaki, George J.; Mohanty, Kishore, K.

    2001-07-13

    The objective of this project is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. This is the first annual progress report submitted to the DOE. It reports on the work completed during the reporting period even if it may have started before this period. This project is a partnership between Professor George J. Hirasaki at Rice University and Professor Kishore Mohanty at University of Houston. In addition to the DOE, this project is supported by a consortium of oil companies and service companies. The fluid properties characterization has emphasized the departure of live oils from correlations based on dead oils. Also, asphaltic components can result in a difference between the T1 and T2 relaxation time distributions as well as reduce the hydrogen index. The fluid rock characterizations that are reported here are the effects of wettability and internal magnetic field gradients. A pore reconstruction method ha s been developed to recreate three-dimensional porous media from two-dimensional images that reproduce some of their key statistical properties. A Monte Carlo simulation technique has been developed to calculate the magnetization decay in fluid saturated porous media given their pore structure.

  12. All-inorganic Germanium nanocrystal films by cationic ligand exchange

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

    Wheeler, Lance M.; Nichols, Asa W.; Chernomordik, Boris D.; Anderson, Nicholas C.; Beard, Matthew C.; Neale, Nathan R.

    2016-01-21

    In this study, we introduce a new paradigm for group IV nanocrystal surface chemistry based on room temperature surface activation that enables ionic ligand exchange. Germanium nanocrystals synthesized in a gas-phase plasma reactor are functionalized with labile, cationic alkylammonium ligands rather than with traditional covalently bound groups. We employ Fourier transform infrared and 1H nuclear magnetic resonance spectroscopies to demonstrate the alkylammonium ligands are freely exchanged on the germanium nanocrystal surface with a variety of cationic ligands, including short inorganic ligands such as ammonium and alkali metal cations. This ionic ligand exchange chemistry is used to demonstrate enhanced transport inmore » germanium nanocrystal films following ligand exchange as well as the first photovoltaic device based on an all-inorganic germanium nanocrystal absorber layer cast from solution. This new ligand chemistry should accelerate progress in utilizing germanium and other group IV nanocrystals for optoelectronic applications.« less

  13. Bistability of Cation Interstitials in II-VI Semiconductors

    SciTech Connect (OSTI)

    Wei, S. H.; Dalpian, G. M.

    2005-11-01

    The stability of cation interstitials in II-VI semiconductors is studied using ab initio methods. We find that interstitials in the neutral charge state are more stable in the tetrahedral interstitial site near the cation, whereas in the (2+) charge state, they are more stable near the anion. The diffusion energy barrier changes when the defect charge state changes. Therefore, if electrons/holes are taken from the defect level by light, changing its charge state, the interstitial atom will be able to diffuse almost spontaneously due to a reduced diffusion barrier.

  14. Geochemical Techniques | Open Energy Information

    Open Energy Info (EERE)

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

  15. TMACS test procedure TP005: Sensor configuration, logging, and data conversion. Revision 4

    SciTech Connect (OSTI)

    Washburn, S.J.

    1994-08-25

    The TMACS Software Project Test Procedures translate the project`s acceptance criteria into test steps. Software releases are certified when the affected Test Procedures are successfully performed and the customers authorize installation of these changes. This Test Procedure addresses the sensor configuration, conversion and logging requirements of the TMACS. The features to be tested are as follows: sensor configuration data; conversion of continuous sensor data to engineering units; conversion of digital data to discrete states; discrete sensor data logging; and continuous sensor data logging.

  16. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, T.J.; Chen, Y.X.

    1999-01-05

    A cationic metallocene complex with trisperfluorobiphenyl borate is described for use as a polymerization catalyst. 7 figs.

  17. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  18. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  19. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  20. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  1. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  2. Solvation Structure and Transport Properties of Alkali Cations in Dimethyl

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

    Sulfoxide Under Exogenous Static Electric Fields - Joint Center for Energy Storage Research June 14, 2015, Research Highlights Solvation Structure and Transport Properties of Alkali Cations in Dimethyl Sulfoxide Under Exogenous Static Electric Fields Top: Snapshots of molecular dynamics simulations of alkali ions in DMSO at 298 K and zero-applied electric field: (left) Li+ and (right) Cs+. Sulfur atoms are shown in yellow, oxygen atoms in red, and methyl groups in gray. Graph: Average

  3. Selective Facet Reactivity During Cation Exchange in Cadmium Sulfide Nanorods

    SciTech Connect (OSTI)

    Sadtler, Bryce; Demchenko, Denis; Zheng, Haimei; Hughes, Steven; Merkle, Maxwell; Dahmen, Ulrich; Wang, Lin-Wang; Alivisatos, A. Paul

    2008-12-18

    The partial transformation of ionic nanocrystals through cation exchange has been used to synthesize nanocrystal heterostructures. We demonstrate that the selectivity for cation exchange to take place at different facets of the nanocrystal plays an important role in determining the resulting morphology of the binary heterostructure. In the case of copper I (Cu+) cation exchange in cadmium sulfide (CdS) nanorods, the reaction starts preferentially at the ends of the nanorods such that copper sulfide (Cu2S) grows inwards from either end. The resulting morphology is very different from the striped pattern obtained in our previous studies of silver I (Ag+) exchange in CdS nanorods where non-selective nucleation of silver sulfide (Ag2S) occurs. From interface formation energies calculated for several models of epitaxialconnections between CdS and Cu2S or Ag2S, we infer the relative stability of each interface during the nucleation and growth of Cu2S or Ag2S within the CdS nanorods. The epitaxial connections of Cu2S to the end facets of CdS nanorods minimize the formation energy, making these interfaces stable throughout the exchange reaction. However, as the two end facets of wurtzite CdS nanorods are crystallographically nonequivalent, asymmetric heterostructures can be produced.

  4. Property:Building/SPPurchasedEngyNrmlYrMwhYrLogs | Open Energy...

    Open Energy Info (EERE)

    Datasets Community Login | Sign Up Search Property Edit with form History Property:BuildingSPPurchasedEngyNrmlYrMwhYrLogs Jump to: navigation, search This is a property of type...

  5. Lithology and well log study of Campbell E-2 geothermal test...

    Open Energy Info (EERE)

    well log study of Campbell E-2 geothermal test well, Humboldt House geothermal prospect, Pershing County, Nevada Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  6. Temperatures and Natural Gamma-Ray Logs Obtained in 1986 from...

    Open Energy Info (EERE)

    of the formation to absorb injected fluid after the well was completed. Changes in temperature logs run in July and September appear to result from fluid loss to the...

  7. Evaluation of Porous Medium Permeability by Acoustic Logging Finds Geothermal Applications

    SciTech Connect (OSTI)

    Conche, B.; Lebreton, F.; Rojas, J.

    1986-01-21

    In a well, after an acoustic waveform has circulated through the surrounding porous media, the study of its alteration can help in evaluating their permeability. The treatment of the acoustic compressional wave's first three cycles yields a unique parameter called I-c. The recording of this I-c log all along any open hole interval is now possible by respecting some practical rules known by logging companies. Large flows of fluid found in geothermal low-enthalpy operations have provided an opportunity to check the validity of this method. Cumulative I-c derived permeability with depth (''EXAFLO'' log) correlates with the flowmeter log, as examples will show. Some new aspects of the theory underlying the I-c/permeability relationship have been developed and are described here.

  8. Advective (heat sweep) geothermal systems | Open Energy Information

    Open Energy Info (EERE)

    temperatures can be predicted from the unchecked application of cation-based Na-K-Ca geo-thermometers. This study shows that in half of the prospects fully equilibrated...

  9. Spontaneous Superlattice Formation in Nanorods through PartialCation Exchange

    SciTech Connect (OSTI)

    Robinson, Richard D.; Sadtler, Bryce; Demchenko, Denis O.; Erdonmez, Can K.; Wang, Lin-Wang; Alivisatos, A. Paul

    2007-03-14

    Lattice mismatch strains are widely known to controlnanoscale pattern formation in heteroepitaxy, but such effects have notbeen exploited in colloidal nanocrystal growth. We demonstrate acolloidal route to synthesizing CdS-Ag2S nanorod superlattices throughpartial cation exchange. Strain induces the spontaneous formation ofperiodic structures. Ab initio calculations of the interfacial energy andmodeling of strain energies show that these forces drive theself-organization. The nanorod superlattices exhibit high stabilityagainst ripening and phase mixing. These materials are tunablenear-infrared emitters with potential applications as nanometer-scaleoptoelectronic devices.

  10. CATIONIC EXCHANGE PROCESS FOR THE SEPARATION OF RARE EARTHS

    DOE Patents [OSTI]

    Choppin, G.R.; Thompson, S.G.; Harvey, B.G.

    1960-02-16

    A process for separating mixtures of elements in the lanthanum and actinium series of the periodic table is described. The mixture of elements is dissolved in 0.05 M HCI, wherein the elements exist as tripositive ions. The resulting solution is then transferred to a column of cationic exchange resin and the column eluted with 0.1 to 0.6 M aqueous ammonium alpha hydroxy isobutyrate solution of pH 3.8 to 5.0. The use of ammonium alpha hydroxy isobutyrate as an eluting agent results in sharper and more rapid separations than previously obtainable with eluants such as citric, tartaric, glycolic, and lactic acids.

  11. Evaluation of Simple Causal Message Logging for Large-Scale Fault Tolerant HPC Systems

    SciTech Connect (OSTI)

    Bronevetsky, G; Meneses, E; Kale, L V

    2011-02-25

    The era of petascale computing brought machines with hundreds of thousands of processors. The next generation of exascale supercomputers will make available clusters with millions of processors. In those machines, mean time between failures will range from a few minutes to few tens of minutes, making the crash of a processor the common case, instead of a rarity. Parallel applications running on those large machines will need to simultaneously survive crashes and maintain high productivity. To achieve that, fault tolerance techniques will have to go beyond checkpoint/restart, which requires all processors to roll back in case of a failure. Incorporating some form of message logging will provide a framework where only a subset of processors are rolled back after a crash. In this paper, we discuss why a simple causal message logging protocol seems a promising alternative to provide fault tolerance in large supercomputers. As opposed to pessimistic message logging, it has low latency overhead, especially in collective communication operations. Besides, it saves messages when more than one thread is running per processor. Finally, we demonstrate that a simple causal message logging protocol has a faster recovery and a low performance penalty when compared to checkpoint/restart. Running NAS Parallel Benchmarks (CG, MG and BT) on 1024 processors, simple causal message logging has a latency overhead below 5%.

  12. Nitrogen-doped zirconia: A comparison with cation stabilized zirconia

    SciTech Connect (OSTI)

    Lee, Jong-Sook . E-mail: jong-sook.lee@fkf.mpg.de; Lerch, Martin; Maier, Joachim

    2006-01-15

    The conductivity behavior of nitrogen-doped zirconia is compared with that of zirconia doped with lower-valent cations and discussed in the framework of defect-defect interactions. While nominally introducing the same number of vacancies as yttrium, nitrogen dopants introduced in the anion sublattice of zirconia lead to substantially different defect kinetics and energetics. Compared to the equivalent yttrium doping nitrogen doping in the Y-Zr-O-N system substantially increases the activation energy and correspondingly decreases the conductivity at temperatures below 500{sup -}bar C in the vacancy range below 4mol%. The comparison of N-doped zirconia and zirconia systems doped with size-matched cation stabilizers, such as Sc, Yb and Y, shows that elastically driven vacancy-vacancy ordering interactions can phenomenologically account for the temperature- and composition-dependence. It is striking that materials with superior high-temperature conductivities due to weak dopant-vacancy interactions undergo severe deterioration at low temperature due to the strong vacancy-ordering. The analysis also explains qualitatively similar effects of Y co-doping in Yb-, Sc-, and N-doped zirconia. Small amount of Y in N-doped zirconia as well as in Sc-doped zirconia appears to hinder the formation of the long-range ordered phase and thus enhance the conductivity substantially.

  13. Electronic spectra of the tetraphenylcyclobutadienecyclopentadienylnickel(II) cation and radical

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

    Peter R. Craig; Miller, John R.; Havlas, Zdenek; Trujillo, Marianela; Rempala, Pawel; Kirby, James P.; Noll, Bruce C.; Michl, Josef

    2016-05-02

    In this study, properties of the tetraphenylcyclobutadienecyclopentadienylnickel(II) cation 1 and its tetra-o-fluoro derivative 1a have been measured and calculated. The B3LYP/TZP optimized geometry of the free cation 1 agrees with a single-crystal X-ray diffraction structure except that in the crystal one of the phenyl substituents is strongly twisted to permit a close-packing interaction of two of its hydrogens with a nearby BF–4 anion. The low-energy parts of the solution electronic absorption and magnetic circular dichroism (MCD) spectra of 1 and 1a have been interpreted by comparison with TD-DFT (B3LYP/TZP) results. Reduction or pulse radiolysis lead to a neutral 19-electron radical,more » whose visible absorption and MCD spectra have been recorded and interpreted as well. The reduction is facilitated by ~0.1 V upon going from 1 to 1a« less

  14. Fort Bliss Geothermal Area Data: Temperature profile, logs, schematic model and cross section

    SciTech Connect (OSTI)

    Adam Brandt

    2015-11-15

    This dataset contains a variety of data about the Fort Bliss geothermal area, part of the southern portion of the Tularosa Basin, New Mexico. The dataset contains schematic models for the McGregor Geothermal System, a shallow temperature survey of the Fort Bliss geothermal area. The dataset also contains Century OH logs, a full temperature profile, and complete logs from well RMI 56-5, including resistivity and porosity data, drill logs with drill rate, depth, lithology, mineralogy, fractures, temperature, pit total, gases, and descriptions among other measurements as well as CDL, CNL, DIL, GR Caliper and Temperature files. A shallow (2 meter depth) temperature survey of the Fort Bliss geothermal area with 63 data points is also included. Two cross sections through the Fort Bliss area, also included, show well position and depth. The surface map included shows faults and well spatial distribution. Inferred and observed fault distributions from gravity surveys around the Fort Bliss geothermal area.

  15. Calibration models for measuring moisture in unsaturated formations by neutron logging

    SciTech Connect (OSTI)

    Engelman, R.E.; Lewis, R.E.; Stromswold, D.C.

    1995-10-01

    Calibration models containing known amounts of hydrogen have been constructed to simulate unsaturated earth formations for calibrating neutron well logging tools. The models are made of dry mixtures of hydrated alumina (Al(OH){sub 3}) with either silica sand (SiO{sub 2}) or aluminum oxide (Al{sub 2}O{sub 3}). Hydrogen in the hydrated alumina replaces the hydrogen in water for neutron scattering, making it possible to simulate partially saturated formations. The equivalent water contents for the models are 5%, 12%, 20%, and 40% by volume in seven tanks that have a diameter of 1.5 m and a height of 1.8 m. Steel casings of inside diameter 15.4 cm (for three models) and diameter 20.3 cm (for four models) allow logging tool access to simulate logging through cased boreholes.

  16. Secure optionally passive RFID tag or sensor with external power source and data logging

    DOE Patents [OSTI]

    Nekoogar, Faranak; Reynolds, Matthew; Lefton, Scott; Dowla, Farid; Twogood, Richard

    2016-05-31

    A secure optionally passive RFID tag or sensor system comprises a passive RFID tag having means for receiving radio signals from at least one base station and for transmitting radio signals to at least one base station, where the tag is capable of being powered exclusively by received radio energy, and an external power and data logging device having at least one battery and electronic circuitry including a digital memory configured for storing and recalling data. The external power and data logging device has a means for powering the tag, and also has a means.

  17. Borehole induction logging for the Dynamic Underground Stripping Project LLNL gasoline spill site

    SciTech Connect (OSTI)

    Boyd, S.; Newmark, R.; Wilt, M.

    1994-01-21

    Borehole induction logs were acquired for the purpose of characterizing subsurface physical properties and monitoring steam clean up activities at the Lawrence Livermore National Laboratory. This work was part of the Dynamic Underground Stripping Project`s demonstrated clean up of a gasoline spin. The site is composed of unconsolidated days, sands and gravels which contain gasoline both above and below the water table. Induction logs were used to characterize lithology, to provide ``ground truth`` resistivity values for electrical resistance tomography (ERT), and to monitor the movement of an underground steam plume used to heat the soil and drive volatile organic compounds (VOCs) to the extraction wells.

  18. Insights into dynamic processes of cations in pyrochlores and other complex oxides

    SciTech Connect (OSTI)

    Uberuaga, Blas Pedro; Perriot, Romain

    2015-08-26

    Complex oxides are critical components of many key technologies, from solid oxide fuel cells and superionics to inert matrix fuels and nuclear waste forms. In many cases, understanding mass transport is important for predicting performance and, thus, extensive effort has been devoted to understanding mass transport in these materials. However, most work has focused on the behavior of oxygen while cation transport has received relatively little attention, even though cation diffusion is responsible for many phenomena, including sintering, radiation damage evolution, and deformation processes. Here, we use accelerated molecular dynamics simulations to examine the kinetics of cation defects in one class of complex oxides, A₂B₂O₇ pyrochlore. In some pyrochlore chemistries, B cation defects are kinetically unstable, transforming to A cation defects and antisites at rates faster than they can diffuse. When this occurs, transport of B cations occurs through defect processes on the A sublattice. Further, these A cation defects, either interstitials or vacancies, can interact with antisite disorder, reordering the material locally, though this process is much more efficient for interstitials than vacancies. Whether this behavior occurs in a given pyrochlore depends on the A and B chemistry. Pyrochlores with a smaller ratio of cation radii exhibit this complex behavior, while those with larger ratios exhibit direct migration of B interstitials. Similar behavior has been reported in other complex oxides such as spinels and perovskites, suggesting that this coupling of transport between the A and B cation sublattices, while not universal, occurs in many complex oxide.

  19. Cation-exchange fiber reduces iron oxide leakage

    SciTech Connect (OSTI)

    MacClure, S.L.

    1993-10-01

    This article describes how addition of new fiber in powdered-resin precoat improves demineralizer crud-retention capability and reduces disposal cost for radioactive spent resin. Various attempts have been made to reduce the concentrations of iron oxide at the outlet of filter/demineralizer (FTD) vessels. Each vessel is fitted with an array of tubular septa that are precoated with powdered ion-exchange resin. The coatings perform filtering and ion-exchange actions on incoming feedwater, removing both suspended and dissolved solids. Experience at Duane Arnold Energy Center (CAED) indicates that use of a powdered-resin precoat containing cation-exchange fibers rather than cellulose fibers can reduce iron oxide levels in FTD effluent significantly.

  20. Separation of certain carboxylic acids utilizing cation exchange membranes

    DOE Patents [OSTI]

    Chum, Helena L. (Arvada, CO); Sopher, David W. (Maarssenbroek, NL)

    1984-01-01

    A method of substantially separating monofunctional lower carboxylic acids from a liquid mixture containing the acids wherein the pH of the mixture is adjusted to a value in the range of from about 1 to about 5 to form protonated acids. The mixture is heated to an elevated temperature not greater than about 100.degree. C. and brought in contact with one side of a perfluorinated cation exchange membrane having sulfonate or carboxylate groups or mixtures thereof with the mixture containing the protonated acids. A pressure gradient can be established across the membrane with the mixture being under higher pressure, so that protonated monofunctional lower carboxylic acids pass through the membrane at a substantially faster rate than the remainder of the mixture thereby substantially separating the acids from the mixture.

  1. Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations

    SciTech Connect (OSTI)

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

    2009-06-01

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

  2. Appraisal of coal resources from uranium drill-hole logs, southern San Juan basin, New Mexico

    SciTech Connect (OSTI)

    Feldman, S.C.

    1984-04-01

    Geophysical logs from uranium drill holes in the Grants region are a valuable source of information on coal resources. Coal occurs in the southern San Juan basin of New Mexico in the Upper Cretaceous Gallup Sandstone, Crevasse Canyon Formation, and Menefee Formation. Uranium has been mined from the Upper Jurassic Morrison Formation that underlies the coal-bearing Cretaceous formations and is separated from them by approximately 1000 ft (300 m) of section. Permission was obtained from Santa Fe Mining, Inc., Pathfinder Mines Corp., and Ranchers Exploration and Development Corp. to examine their uranium drill logs for information on coal. Over 1400 logs spudded above the base of the Gallup formation were examined, and depth to coal, coal thickness, and coal stratigraphic horizon were determined for coal beds at least 3 ft (1 m) thick. Coal isopachs have been drawn, and depth from the surface to the first coal have been contoured for the Crevasse Canyon and Menefee Formations. Data from an earlier study, which used geophysical logs from petroleum test borings, has been incorporated. The relationship between the coal resources determined from uranium drill holes and known coal deposits and mines in the southern San Juan basin is discussed.

  3. Idaho National Laboratory PCB Annual Document Log and Annual Records Report for calendar year 2014

    SciTech Connect (OSTI)

    Layton, Deborah L.

    2015-06-01

    The requirements for the reporting of polychlorinated biphenyl (PCB)-related activities are found in 40 Code of Federal Regulations (CFR) 761 Subpart J, "General Records and Reports." The PCB Annual Document Log is a detailed record of the PCB waste handling activities at the facility. The facility must prepare it each year by July 1 and maintain it at the facility for at least 3 years after the facility ceases using or storing PCBs and PCB items. While submittal of the PCB Annual Document Log to the U.S. Environmental Protection Agency (EPA) is not required by regulation, EPA has verbally requested in telephone conversations that this report be submitted to them on an annual basis. The Annual Records are not required to be submitted to EPA and are not considered to be part of the Annual Document Log, but are included to provide the complete disposition history or status of all PCB activities during the year. The Annual Document Log section of this report (Section 2.0) meets the requirements of 40 CFR 761.180(a)(2), as applicable, while the Annual Records section (Section 3.0) meets the requirement of 40 CFR 761.180(a)(1).

  4. Influence of rubidium cations on hydrogen and deuterium electrosorption in palladium

    SciTech Connect (OSTI)

    Czerwinski, A.; Frydrych, J.; Kiersztyn, I.

    1996-11-01

    A comparative cyclic voltammetric study of the hydrogen and deuterium sorptions into a thin layer palladium electrode has been performed in acidic and basic solutions containing rubidium cations. As in the case of other alkali cations, rubidium appears to clearly influence the {alpha}- to {beta}- phase transition only in basic solution.

  5. Method of separating and recovering uranium and related cations from spent Purex-type systems

    DOE Patents [OSTI]

    Mailen, J.C.; Tallent, O.K.

    1987-02-25

    A process for separating uranium and related cations from a spent Purex-type solvent extraction system which contains degradation complexes of tributylphosphate wherein the system is subjected to an ion-exchange process prior to a sodium carbonate scrubbing step. A further embodiment comprises recovery of the separated uranium and related cations. 5 figs.

  6. Correction of steel casing effect for density log using numerical and experimental methods in the slim borehole

    SciTech Connect (OSTI)

    Hwang, Seho; Shin, Jehyun; Kim, Jongman; Won, Byeongho

    2015-03-10

    Density log is widely applied for a variety of fields such as the petroleum exploration, mineral exploration, and geotechnical survey. The logging condition of density log is normally open holes but there are frequently cased boreholes. The primary calibration curve by slim hole logging manufacturer is normally the calibration curves for the variation of borehole diameter. In this study, we have performed the correction of steel casing effects using numerical and experimental methods. We have performed numerical modeling using the Monte Carlo N-Particle (MCNP) code based on Monte Carlo method, and field experimental method from open and cased hole log. In this study, we used the FDGS (Formation Density Gamma Sonde) for slim borehole with a 100 mCi 137Cs source, three inch borehole and steel casing. The casing effect between numerical and experimental method is well matched.

  7. Quantification of Wellbore Leakage Risk Using Non-destructive Borehole Logging Techniques

    SciTech Connect (OSTI)

    Duguid, Andrew; Butsch, Robert; Cary, J.; Celia, Michael; Chugunov, Nikita; Gasda, Sarah; Hovorka, Susan; Ramakrishnan, T. S.; Stamp, Vicki; Thingelstad, Rebecca; Wang, James

    2014-08-29

    Well integrity is important at all potential CCS locations and may play a crucial role establishing leakage risk in areas where there is a high density of existing wells that could be impacted by the storage operations including depleted petroleum fields where EOR or CCS will occur. To address a need for risk quantification methods that can be directly applied to individual wells using borehole logging tools a study was conducted using data from five wells in Wyoming. The objectives of the study were: Objective 1: Develop methods to establish the baseline flow parameters (porosity and permeability or mobility) from individual measurements of the material properties and defects in a well. Objective 2: Develop a correlation between field flow-property data and cement logs that can be used to establish the flow-properties of well materials and well features using cement mapping tools. Objective 3: Establish a method that uses the flow-property model (Objective 2) to analyze the statistical uncertainties associated with individual well leakage that can provide basis for uncertainty in risk calculations. The project objectives were met through the logging of five wells in Carbon and Natrona County Wyoming to collect data that was used to estimate individual and average well flow properties and model the results using ultrasonic data collected during the logging. Three of the five wells provided data on point and average flow properties for well annuli. Data from the other two wells were used to create models of cement permeability and test whether information collected in one well could be used to characterize another well. The results of the in-situ point measurements were confirmed by the lab measurements sidewall cores collected near the same depths Objective 1 was met using the data collected through logging, testing, and sampling. The methods were developed that can establish baseline flow parameters of wells by both point and average test methods. The methods to

  8. Log-ratio signal-processing technique for beam position monitors

    SciTech Connect (OSTI)

    Shafer, R.E.

    1993-01-01

    Two basic signal-processing techniques are presently in wide use for the processing of signals from beam position monitors (BPMs); difference-over-sum, and amplitude-modulation-to-phase-modulation (AM-PM) conversion. Difference-over-sum offers simplicity and low cost, but poor real-time normalized response and amplitude dynamic range. AM-PM offers fast real-time response and large dynamic range, but is costly and difficult to implement. Logarithmic-ratio processing, a technique using newly available inexpensive hybrid circuits, appears to offer the advantages of both, and the disadvantages of neither. This paper reviews the features techniques, and highlights the features of the log-ratio technique. Among the advantages of log-ratio is a beam-displacement response linearity that is superior to either difference-over-sum or AM-PM for circular-aperture BPMs.

  9. Log-ratio signal-processing technique for beam position monitors

    SciTech Connect (OSTI)

    Shafer, R.E.

    1993-02-01

    Two basic signal-processing techniques are presently in wide use for the processing of signals from beam position monitors (BPMs); difference-over-sum, and amplitude-modulation-to-phase-modulation (AM-PM) conversion. Difference-over-sum offers simplicity and low cost, but poor real-time normalized response and amplitude dynamic range. AM-PM offers fast real-time response and large dynamic range, but is costly and difficult to implement. Logarithmic-ratio processing, a technique using newly available inexpensive hybrid circuits, appears to offer the advantages of both, and the disadvantages of neither. This paper reviews the features techniques, and highlights the features of the log-ratio technique. Among the advantages of log-ratio is a beam-displacement response linearity that is superior to either difference-over-sum or AM-PM for circular-aperture BPMs.

  10. Experimental approaches for the development of gamma spectroscopy well logging system

    SciTech Connect (OSTI)

    Shin, Jehyun; Hwang, Seho; Kim, Jongman; Won, Byeongho

    2015-03-10

    This article discusses experimental approaches for the development of gamma spectroscopy well logging system. Considering the size of borehole sonde, we customize 2 x 2 inches inorganic scintillators and the system including high voltage, preamplifier, amplifier and multichannel analyzer (MCA). The calibration chart is made by test using standard radioactive sources so that the measured count rates are expressed by energy spectrum. Optimum high-voltage supplies and the measurement parameters of each detector are set up by experimental investigation. Also, the responses of scintillation detectors have been examined by analysis according to the distance between source and detector. Because gamma spectroscopy well logging needs broad spectrum, high sensitivity and resolution, the energy resolution and sensitivity as a function of gamma ray energy are investigated by analyzing the gamma ray activities of the radioactive sources.

  11. 3-D Finite Element Analysis of Induction Logging in a Dipping Formation

    SciTech Connect (OSTI)

    EVERETT,MARK E.; BADEA,EUGENE A.; SHEN,LIANG C.; MERCHANT,GULAMABBAS A.; WEISS,CHESTER J.

    2000-07-20

    Electromagnetic induction by a magnetic dipole located above a dipping interface is of relevance to the petroleum well-logging industry. The problem is fully three-dimensional (3-D) when formulated as above, but reduces to an analytically tractable one-dimensional (1-D) problem when cast as a small tilted coil above a horizontal interface. The two problems are related by a simple coordinate rotation. An examination of the induced eddy currents and the electric charge accumulation at the interface help to explain the inductive and polarization effects commonly observed in induction logs from dipping geological formations. The equivalence between the 1-D and 3-D formulations of the problem enables the validation of a previously published finite element solver for 3-D controlled-source electromagnetic induction.

  12. Novel alkyd-type coating resins produced using cationic polymerization

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

    Chisholm, Bret J.; Kalita, Harjyoti; Alam, Samim; Jayasooriyamu, Anurad; Fernando, Shashi; Samanata, Satyabrata; Bahr, James; Selvakumar, Sermadurai; Sibi, Mukund; Vold, Jessica; et al

    2015-05-06

    Novel, partially bio-based poly(vinyl ether) copolymers derived from soybean oil and cyclohexyl vinyl ether (CHVE) were produced by cationic polymerization and investigated for application as alkyd-type surface coatings. Compared to conventional alkyd resins, which are produced by high temperature melt condensation polymerization, the poly(v9nyl ether)s provide several advantages. These advantages include milder, more energy efficient polymer synthesis, elimination of issues associated with gelation during polymer synthesis, production of polymers with well-defined composition and relatively narrow molecular weight distribution, and elimination of film formation and physical property issues associated with entrained monomers, dimers, trimers, etc. The results of the studied showedmore » that the thermal, mechanical, and physical properties of the coatings produced from these novel polymers varied considerably as a function of polymer composition and cure temperature. Overall, the results suggest a good potential for these novel copolymers to be used for coatings cured by autoxidation.« less

  13. Ionic Liquids with Ammonium Cations as Lubricants or Additives

    SciTech Connect (OSTI)

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

    2006-01-01

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

  14. Cation exchange pretreatment studies for high recovery - Yuma desalting plant

    SciTech Connect (OSTI)

    Kaakinen, J.W.; Laverty, P.E.

    1983-10-01

    The main purpose of the High Recovery Test Program was to obtain feasibility design data for cation exchange softening to allow a greater fractional recovery of desalted product water at the YDP(Yuma Desalting Plant). Compared to the original YDP design with 70-percent desalting recovery, additional removal of calcium in the desalting feed would allow recoveries over 90 percent. Pilot plant equipment to test this process was operated at the YDTF(Yuma Desalting Test Facility) and consisted of an IX unit and an electrodialyzer to supply reject-brine regenerant for the IX experiments. Gypsum scale buildup in the resin bed could be avoided by regeneration with a high upward flow rate causing a fluidized bed. Reuse of regenerant was also beneficial. Results show that the ion exchange high recovery pretreatment process is highly feasible, and that it is technically possible to achieve high recovery in the YDP. Numerous recommendations for a plant design are given and future studies are noted.

  15. Organic cation secretion by Cancer borealis urinary bladder

    SciTech Connect (OSTI)

    Miller, D.S.; Holliday, C.W.

    1987-01-01

    In the crab, Cancer borealis, initial clearance studies showed a potent renal excretory system for the model organic cation, tetraethylammonium (TEA). (/sup 14/C)-TEA clearance averaged 145 +/- 32 ml/day, which was 18 times the paired polyethylene glycol clearance. TEA uptake by slices of urinary bladder was concentrative, saturable, inhibitable by N/sup 1/-methylnicotinamide chloride, and dependent on glycolytic, but not oxidative, metabolism. When mounted in flux chambers, bladders exhibited a large net secretory flux. For 0.1 mM TEA, the ratio of secretory to reabsorptive fluxes was 65. Urinary bladders from another crab, Cancer irroratus, and a lobster, Homarus americanus, also exhibited net TEA secretion. In C. borealis bladder, secretory transport was concentrative, saturable, and nearly abolished by addition of 1 mM quinine to the serosol bath. Reabsorptive transport was not concentrative and was not reduced by luminal quinine. The data are consistent with a secretory pathway that is transcellular and mediated by carriers at both the serosal and luminal membranes.

  16. U-038: BIND 9 Resolver crashes after logging an error in query.c

    Broader source: Energy.gov [DOE]

    A remote server can cause the target connected client to crash. Organizations across the Internet are reporting crashes interrupting service on BIND 9 nameservers performing recursive queries. Affected servers crash after logging an error in query.c with the following message: "INSIST(! dns_rdataset_isassociated(sigrdataset))" Multiple versions are reported as being affected, including all currently supported release versions of ISC BIND 9. ISC is actively investigating the root cause and working to produce patches which avoid the crash.

  17. U-039: ISC Update: BIND 9 Resolver crashes after logging an error in query.c

    Broader source: Energy.gov [DOE]

    A remote server can cause the target connected client to crash. Organizations across the Internet are reporting crashes interrupting service on BIND 9 nameservers performing recursive queries. Affected servers crash after logging an error in query.c with the following message: "INSIST(! dns_rdataset_isassociated(sigrdataset))" Multiple versions are reported as being affected, including all currently supported release versions of ISC BIND 9. ISC is actively investigating the root cause and working to produce patches which avoid the crash.

  18. Recognition of hydrocarbon expulsion using well logs: Bakken Formation, Williston Basin

    SciTech Connect (OSTI)

    Cunningham, R.; Zelt, F.B.; Morgan, S.R.; Passey, Q.R. ); Snavely, P.D. III; Webster, R.L. )

    1990-05-01

    The Upper Mississippian-Lower Devonian Bakken Formation forms a source/carrier/reservoir system in the Williston basin. Hydrocarbon expulsion within the Bakken has been identified by overlaying sonic and resistivity logs. Typically, these curves track in organically lean, water-saturated mudrocks because both respond mainly to porosity; however, in thermally mature organic-rich rocks and hydrocarbon reservoirs or carrier beds, the curves separate due to the anomalously high resistivity associated with replacement of pore water by hydrocarbons. Sonic/resistivity-log overlays for wells throughout the Montana and North Dakota parts of the Williston basin reveal significant increases and maximum in-curve separation within the middle siltstone member of the Bakken at subsurface temperatures of about 170 and 200{degree}F, respectively. Sequence-stratigraphic characteristics of the Bakken define the framework within which the expulsion process operates. The organic-rich upper and lower shale members represent the transgressive and early highstand systems tracts of two adjacent depositional sequences. A sequence boundary within the intervening middle siltstone member separates nearshore siltstone and sandstone of the late highstand systems tract in the lower sequence from cross-bedded subtidal to intertidal sandstones of the lowstand systems tract in the upper sequence. Reservoir properties vary across this sequence boundary. The authors attribute the log separation in the siltstone member to hydrocarbons expelled from the adjacent shales. Abrupt shifts in several geochemical properties of the shale members, indicative of hydrocarbon generation occur over the same subsurface temperature range as the rapid increase in log separation in the middle siltstone, thus indicating the contemporaneity of generation and expulsion.

  19. Evaluation of Non-Nuclear Techniques for Well Logging: Final Report

    SciTech Connect (OSTI)

    Bond, Leonard J.; Griffin, Jeffrey W.; Harris, R. V.; Denslow, Kayte M.; Moran, Traci L.

    2011-08-01

    The focus of this study is the understanding of the technical obstacles that hinder the replacement of and the disadvantages from the loss of extensive interpretation experience based on data accumulated with AmBe. Enhanced acoustic and electromagnetic sensing methods in combination with non-isotope-based well logging techniques have the potential to complement and/or replace existing isotope-based techniques, providing the opportunity to reduce oil industry dependence on isotopic sources such as AmBe.

  20. Fracture identification and evaluation using borehole imaging and full wave form logs in the Permian basin

    SciTech Connect (OSTI)

    Sanders, L. )

    1994-03-01

    The borehole imaging and acoustic full wave form logs provide an excellent means for identifying and evaluating naturally occurring fractures. The natural fractures can provide the porosity and permeability essential for a productive reservoir. The detection of these fractures may be accomplished by tow types of wireline logging tools: borehole imaging devices and acoustic full wave form tools. The borehole imaging tools produce images based upon the electromagnetic or the acoustic properties of the borehole wall. Fractures will appear as darker images that are distinct from the nonfracture formation. These images are coupled with a reference azimuth that allows for the determination of the orientation of the fracture image. The acoustic full wave form logs are used to detect fractures by analyzing various acoustic properties of the formation. The travel time, amplitude, and frequency responses of fractured formations differ remarkably from the responses of nonfractured formations because of the reduction of the acoustic energy in the fractures. The various field examples from the Queen sandstone to the Ellenburger formation demonstrate the advantages and disadvantages unique to the borehole imaging and the acoustic full wave form devices. Within this geologic framework, comparisons are made among the data extracted from whole cores, borehole imaging devices, and the acoustic full wave form tools in establishing a systematic approach for the identification and evaluation of fractures.

  1. Insights into dynamic processes of cations in pyrochlores and other complex oxides

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

    Uberuaga, Blas Pedro; Perriot, Romain

    2015-08-26

    Complex oxides are critical components of many key technologies, from solid oxide fuel cells and superionics to inert matrix fuels and nuclear waste forms. In many cases, understanding mass transport is important for predicting performance and, thus, extensive effort has been devoted to understanding mass transport in these materials. However, most work has focused on the behavior of oxygen while cation transport has received relatively little attention, even though cation diffusion is responsible for many phenomena, including sintering, radiation damage evolution, and deformation processes. Here, we use accelerated molecular dynamics simulations to examine the kinetics of cation defects in onemore » class of complex oxides, A₂B₂O₇ pyrochlore. In some pyrochlore chemistries, B cation defects are kinetically unstable, transforming to A cation defects and antisites at rates faster than they can diffuse. When this occurs, transport of B cations occurs through defect processes on the A sublattice. Further, these A cation defects, either interstitials or vacancies, can interact with antisite disorder, reordering the material locally, though this process is much more efficient for interstitials than vacancies. Whether this behavior occurs in a given pyrochlore depends on the A and B chemistry. Pyrochlores with a smaller ratio of cation radii exhibit this complex behavior, while those with larger ratios exhibit direct migration of B interstitials. Similar behavior has been reported in other complex oxides such as spinels and perovskites, suggesting that this coupling of transport between the A and B cation sublattices, while not universal, occurs in many complex oxide.« less

  2. Cationic Liposome-Microtuble Complexes: Lipid-Protein Bio-Nanotubles with

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

    Open or Closed Ends Cationic Liposome-Microtubule Complexes: Lipid-Protein Bio-Nanotubes with Open or Closed Ends Uri Raviv,*,+ Daniel J. Needleman,*,+ Youli Li,*,+ Herbert P. Miller,+ Leslie Wilson,+ and Cyrus R. Safinya *,+ *Materials Department, Physics Department +Molecular, Cellular, and Developmental Biology Department, Biomolecular Science and Engineering Program, University of California, Santa Barbara, CA 93106 In this work we explored the structured that form when cationic

  3. Effect of radon transport in groundwater upon gamma-ray borehole logs

    SciTech Connect (OSTI)

    Nelson, P.H.; Rachiele, R.; Smith, A.

    1980-09-01

    Granitic rock at an experimental waste storage site at Stripa, Sweden, is unusually high in natural radioelements (40 ppM uranium) with higher concentrations occurring locally in thin chloritic zones and fractures. Groundwater seeping through fractures into open boreholes is consequently highly anomalous in its radon content, with activity as high as one microcurie per liter. When total count gamma-ray logs are run in boreholes where groundwater inflow is appreciable, the result is quite unusual: the radon daughter activity in the water adds considerably to the contribution from the rock, and in fact often dominates the log response. The total gamma activity increases where radon-charged groundwater enters a borehole, and remains at a high level as the water flows along the hole in response to the hydraulic gradient. As a consequence, the gamma log serves as a flow profile, locating zones of water entry (or loss) by an increase (or decrease) in the total gamma activity. A simple model has been developed for flow through a thin crack emanating radon at a rate E showing that the radon concentration of water entering a hole is E/..lambda..h, where ..lambda.. is the radon decay rate and h the crack aperture, assuming that the flow rate and crack source area are such that an element of water resides within the source area for several radon half-lives or more. Concentration measurements can provide a measurement of the inflow rate. Data from the 127-mm holes in the time-scale drift behave in this fashion.

  4. 1990 yearly calibration of Pacific Northwest Laboratory's gross-gamma borehole geophysical logging system

    SciTech Connect (OSTI)

    Arthur, R.J.

    1990-08-01

    This report describes the 1990 yearly calibration of a gross-gamma geophysical pulse logging system owned by the US Department of Energy (DOE) and operated by Pacific Northwest Laboratory (PNL). The calibration was conducted to permit the continued use of this system for geological and hydrologic studies associated with remedial investigation at the Hanford Site. Primary calibrations to equivalent uranium units were conducted in borehole model standards that were recently moved to the Hanford Site from the DOE field calibration facility in Spokane, Washington. The calibrations were performed in borehole models SBL/SBH and SBA/SBB, which contain low equivalent-uranium concentrations. The integrity of the system throughout the previous year from gamma-ray monitoring was demonstrated using the before- and after-logging field calibration readings with the field source in calibration Positions 1 and 2. Most of the Position 1 readings are within an 8% limit that is set by the governing PNL technical reference procedure as a critical value above which the instrument is considered suspect. Many of the Position 2 readings exceed the 8% limit; however, the fluctuation was traced to field-source geometry variability that affected Position 1 count rates by up to 6% and Position 2 count rates by as much as 16%. Correlations were established based on two similar approaches for relating observed count rate in before- and after-logging field calibrations to equivalent uranium concentrations. The temperature drift of the gamma-ray probe was documented and amounts to less than 0.1%/{degree}C within the temperature range 0{degree}C to 42{degree}C. The low-energy cutoff for the gross gamma-ray probe was determined to be between 46.5 and 59.5 keV. 10 refs., 4 figs., 13 tabs.

  5. Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer

    SciTech Connect (OSTI)

    Mosley, J. D.; Young, J. W.; Duncan, M. A. E-mail: maduncan@uga.edu; Huang, M.; McCoy, A. B. E-mail: maduncan@uga.edu

    2015-03-21

    The carbenium ion with nominal formula [C,H{sub 4},O]{sup +} is produced from methanol or ethylene glycol in a pulsed-discharge supersonic expansion source. The ion is mass selected, and its infrared spectrum is measured from 2000 to 4000 cm{sup ?1} using laser photodissociation spectroscopy and the method of rare gas atom tagging. Computational chemistry predicts two isomers, the methanol and methylene-oxonium cations. Predicted vibrational spectra based on scaled harmonic and reduced dimensional treatments are compared to the experimental spectra. The methanol cation is the only isomer produced when methanol is used as a precursor. When ethylene glycol is used as the precursor, methylene-oxonium is produced in addition to the methanol cation. Theoretical results at the CCSD(T)/cc-pVTZ level show that methylene-oxonium is lower in energy than methanol cation by 6.4 kcal/mol, and is in fact the global minimum isomer on the [C,H{sub 4},O]{sup +} potential surface. Methanol cation is trapped behind an isomerization barrier in our source, providing a convenient method to produce and characterize this transient species. Analysis of the spectrum of the methanol cation provides evidence for strong CH stretch vibration/torsion coupling in this molecular ion.

  6. Method of assaying uranium with prompt fission and thermal neutron borehole logging adjusted by borehole physical characteristics. [Patient application

    DOE Patents [OSTI]

    Barnard, R.W.; Jensen, D.H.

    1980-11-05

    Uranium formations are assayed by prompt fission neutron logging techniques. The uranium in the formation is proportional to the ratio of epithermal counts to thermal or epithermal dieaway. Various calibration factors enhance the accuracy of the measurement.

  7. Method of assaying uranium with prompt fission and thermal neutron borehole logging adjusted by borehole physical characteristics

    DOE Patents [OSTI]

    Barnard, Ralston W.; Jensen, Dal H.

    1982-01-01

    Uranium formations are assayed by prompt fission neutron logging techniques. The uranium in the formation is proportional to the ratio of epithermal counts to thermal or eqithermal dieaway. Various calibration factors enhance the accuracy of the measurement.

  8. High-voltage supply for neutron tubes in well-logging applications

    DOE Patents [OSTI]

    Humphreys, D.R.

    1982-09-15

    A high voltage supply is provided for a neutron tube used in well logging. The biased pulse supply of the invention combines DC and full pulse techniques and produces a target voltage comprising a substantial negative DC bias component on which is superimposed a pulse whose negative peak provides the desired negative voltage level for the neutron tube. The target voltage is preferably generated using voltage doubling techniques and employing a voltage source which generates bipolar pulse pairs having an amplitude corresponding to the DC bias level.

  9. Enhanced Mixed Electronic-Ionic Conductors through Cation Ordering

    SciTech Connect (OSTI)

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

    2014-08-31

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

  10. The application of moment methods to the analysis of fluid electrical conductivity logs in boreholes

    SciTech Connect (OSTI)

    Loew, S. ); Tsang, Chin-Fu; Hale, F.V. ); Hufschmied, P. , Baden )

    1990-08-01

    This report is one of a series documenting the results of the Nagra-DOE Cooperative (NDC-I) research program in which the cooperating scientists explore the geological, geophysical, hydrological, geochemical, and structural effects anticipated from the use of a rock mass as a geologic repository for nuclear waste. Previous reports have presented a procedure for analyzing a time sequence of wellbore electric conductivity logs in order to obtain outflow parameters of fractures intercepted by the borehole, and a code, called BORE, used to simulate borehole fluid conductivity profiles given these parameters. The present report describes three new direct (not iterative) methods for analyzing a short time series of electric conductivity logs based on moment quantities of the individual outflow peaks and applies them to synthetic as well as to field data. The results of the methods discussed show promising results and are discussed in terms of their respective advantages and limitations. In particular it is shown that one of these methods, the so-called Partial Moment Method,'' is capable of reproducing packer test results from field experiments in the Leuggern deep well within a factor of three, which is below the range of what is recognized as the precision of packer tests themselves. Furthermore the new method is much quicker than the previously used iterative fitting procedure and is even capable of handling transient fracture outflow conditions. 20 refs., 11 figs., 10 tabs.

  11. Calibration of NMR well logs from carbonate reservoirs with laboratory NMR measurements and μXRCT

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

    Mason, Harris E.; Smith, Megan M.; Hao, Yue; Carroll, Susan A.

    2014-12-31

    The use of nuclear magnetic resonance (NMR) well log data has the potential to provide in-situ porosity, pore size distributions, and permeability of target carbonate CO₂ storage reservoirs. However, these methods which have been successfully applied to sandstones have yet to be completely validated for carbonate reservoirs. Here, we have taken an approach to validate NMR measurements of carbonate rock cores with independent measurements of permeability and pore surface area to volume (S/V) distributions using differential pressure measurements and micro X-ray computed tomography (μXRCT) imaging methods, respectively. We observe that using standard methods for determining permeability from NMR data incorrectlymore » predicts these values by orders of magnitude. However, we do observe promise that NMR measurements provide reasonable estimates of pore S/V distributions, and with further independent measurements of the carbonate rock properties that universally applicable relationships between NMR measured properties may be developed for in-situ well logging applications of carbonate reservoirs.« less

  12. Evaluation of Non-Nuclear Techniques for Well Logging: Technology Evaluation

    SciTech Connect (OSTI)

    Bond, Leonard J.; Denslow, Kayte M.; Griffin, Jeffrey W.; Dale, Gregory E.; Harris, Robert V.; Moran, Traci L.; Sheen, David M.; Schenkel, Thomas

    2010-11-01

    This report presents an initial review of the state-of-the-art nuclear and non-nuclear well logging methods and seeks to understand the technical and economic issues if AmBe, and potentially other isotope sources, are reduced or even eliminated in the oil-field services industry. Prior to considering alternative logging technologies, there is a definite need to open up discussions with industry regarding the feasibility and acceptability of source replacement. Industry views appear to range from those who see AmBe as vital and irreplaceable to those who believe that, with research and investment, it may be possible to transition to electronic neutron sources and employ combinations of non-nuclear technologies to acquire the desired petro-physical parameters. In one sense, the simple answer to the question as to whether petro-physical parameters can be sensed with technologies other than AmBe is probably "Yes". The challenges come when attention turns to record interpretation. The many decades of existing records form a very valuable proprietary resource, and the interpretation of subtle features contained in these records are of significant value to the oil-gas exploration community to correctly characterize a well. The demonstration of equivalence and correspondence/correlation between established and any new sensing modality, and correlations with historic records is critical to ensuring accurate data interpretation. Establishing the technical basis for such a demonstration represents a significant effort.

  13. Effects of depositional facies and diagenesis on calculating petrophysical properties for wireline logs in Permian carbonate reservoirs of west Texas

    SciTech Connect (OSTI)

    Holtz, M.H.; Major, R.P. )

    1994-03-01

    The complex interplay between depositional facies and diagenesis in carbonate rocks presents numerous problems for calculating petrophysical properties from wireline logs. If carbonate reservoirs are divided into flow units of similar depositional and diagenetic textures, empirical equations that apply specifically to that geologically identified flow unit can be developed to accurately measure porosity and water saturation. In Guadalupian and Leonardian reservoirs, carbonate mudstones deposited in subtidal marine settings are predominantly dolomite, although they contain some shale. The shale in these rocks can be detected with gamma-ray logs and empirical equations for calculation of porosity from log must include a gamma-ray component to compensate for the presence of shale. Because porosity in these rocks is dominantly intercrystalline, capillary pressure characteristics are predictable and saturations can be calculated with the Archie equation. Subtidal carbonate packstones and grainstones are composed of dolomite, anhydrite, and gypsum. The matrix acoustic transit times of these three minerals are similar, and acoustic logs are the best tool for measuring porosity. Neutron logs are the least accurate porosity tools if gypsum is present. Photo-electric density logs can distinguish gypsum from anhydrite. Because porosity in these rocks is dominantly interparticle and/or moldic, dual porosity cementation exponent corrections are needed to calculate saturations with the Archie equation, and capillary pressure saturation relationships are variable. Carbonates deposited in tidal-flat environments are generally composed of dolomite, sulfate minerals, and quartz silt, requiring a full suite of open-hole logs to make reliable porosity measurements. Diagenesis influences reservoir mineralogy and pore types. A common style of burial diagenesis in Guadalupian and Leonardian reservoirs is hydration of anhydrite to gypsum and leaching of sulfate cement and dolomite matrix.

  14. Effect of cation ordering on oxygen vacancy diffusion pathways in double perovskites

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

    Uberuaga, Blas Pedro; Pilania, Ghanshyam

    2015-07-08

    Perovskite structured oxides (ABO3) are attractive for a number of technological applications, including as superionics because of the high oxygen conductivities they exhibit. Double perovskites (AA’BB’O6) provide even more flexibility for tailoring properties. Using accelerated molecular dynamics, we examine the role of cation ordering on oxygen vacancy mobility in one model double perovskite SrLaTiAlO6. We find that the mobility of the vacancy is very sensitive to the cation ordering, with a migration energy that varies from 0.6 to 2.7 eV. In the extreme cases, the mobility is both higher and lower than either of the two end member single perovskites.more » Further, the nature of oxygen vacancy diffusion, whether one-dimensional, two-dimensional, or three-dimensional, also varies with cation ordering. We correlate the dependence of oxygen mobility on cation structure to the distribution of Ti4+ cations, which provide unfavorable environments for the positively charged oxygen vacancy. The results demonstrate the potential of using tailored double perovskite structures to precisely control the behavior of oxygen vacancies in these materials.« less

  15. Colloid Facilitated Transport of Radioactive Cations in the Vadose Zone: Field Experiments Oak Ridge

    SciTech Connect (OSTI)

    James E. Saiers

    2012-09-20

    The overarching goal of this study was to improve understanding of colloid-facilitated transport of radioactive cations through unsaturated soils and sediments. We conducted a suite of laboratory experiments and field experiments on the vadose-zone transport of colloids, organic matter, and associated contaminants of interest to the U.S. Department of Energy (DOE). The laboratory and field experiments, together with transport modeling, were designed to accomplish the following detailed objectives: 1. Evaluation of the relative importance of inorganic colloids and organic matter to the facilitation of radioactive cation transport in the vadose zone; 2. Assessment of the role of adsorption and desorption kinetics in the facilitated transport of radioactive cations in the vadose zone; 3. Examination of the effects of rainfall and infiltration dynamics and in the facilitated transport of radioactive cations through the vadose zone; 4. Exploration of the role of soil heterogeneity and preferential flow paths (e.g., macropores) on the facilitated transport of radioactive cations in the vadose zone; 5. Development of a mathematical model of facilitated transport of contaminants in the vadose zone that accurately incorporates pore-scale and column-scale processes with the practicality of predicting transport with readily available parameters.

  16. Mesophase stabilization in ionic liquid crystals through pairing equally shaped mesogenic cations and anions

    SciTech Connect (OSTI)

    Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja -Verena

    2015-07-23

    The synthesis and properties of a set of novel ionic liquid crystals with congruently shaped cations and anions are reported to check whether pairing mesogenic cations with mesogenic anions leads to a stabilization of a liquid crystalline phase. To that avail 1-alkyl-3-methyl-triazolium cations with an alkyl chain length of 10, 12, and 14 carbon atoms have been combined with p-alkyloxy-benzenesulfonate anions with different alkyl chain lengths (n = 10, 12, and 14). The corresponding triazolium iodides have been synthesized as reference compounds where the cation and anion have strong size and shape mismatch. The mesomorphic behavior of all compounds is studied by differential scanning calorimetry and polarizing optical microscopy. All compounds except 1-methyl-3-decyltriazolium iodide, which qualifies as an ionic liquid, are thermotropic ionic liquid crystals. All other compounds adopt smectic A phases. As a result, a comparison of the thermal phase behavior of the 1-methyl-3-decyltriazolium bromides to the corresponding p-alkoxy-benzensulfonates reveals that definitely the mesophase is stabilized by pairing the rod-shaped 1-alkyl-3-methyltriazolium cation with a rod-like anion of similar size.

  17. Mesophase stabilization in ionic liquid crystals through pairing equally shaped mesogenic cations and anions

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

    Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja -Verena

    2015-07-23

    The synthesis and properties of a set of novel ionic liquid crystals with congruently shaped cations and anions are reported to check whether pairing mesogenic cations with mesogenic anions leads to a stabilization of a liquid crystalline phase. To that avail 1-alkyl-3-methyl-triazolium cations with an alkyl chain length of 10, 12, and 14 carbon atoms have been combined with p-alkyloxy-benzenesulfonate anions with different alkyl chain lengths (n = 10, 12, and 14). The corresponding triazolium iodides have been synthesized as reference compounds where the cation and anion have strong size and shape mismatch. The mesomorphic behavior of all compounds ismore » studied by differential scanning calorimetry and polarizing optical microscopy. All compounds except 1-methyl-3-decyltriazolium iodide, which qualifies as an ionic liquid, are thermotropic ionic liquid crystals. All other compounds adopt smectic A phases. As a result, a comparison of the thermal phase behavior of the 1-methyl-3-decyltriazolium bromides to the corresponding p-alkoxy-benzensulfonates reveals that definitely the mesophase is stabilized by pairing the rod-shaped 1-alkyl-3-methyltriazolium cation with a rod-like anion of similar size.« less

  18. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds

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

    Kim, Michelle J.; Zoerb, Matthew C.; Campbell, Nicole R.; Zimmermann, Kathryn J.; Blomquist, Byron W.; Huebert, Barry J.; Bertram, Timothy H.

    2016-04-05

    Here, benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e., DMS, β-caryophyllene) as well as previously studied VOCs (i.e., isoprene, α-pinene). Using a field deployable chemical-ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt−1) to DMS, isoprene, and α-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a much weaker electric field, demonstrated that ion–molecule reactions likely proceed through a combinationmore » of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (< 25 %) was observed for the detection of β-caryophyllene, a bicyclic sesquiterpene. The in-field stability of benzene cluster cations using CI-ToFMS was examined in the marine boundary layer during the High Wind Gas Exchange Study (HiWinGS). The use of benzene cluster cation chemistry for the selective detection of DMS was validated against an atmospheric pressure ionization mass spectrometer, where measurements from the two instruments were highly correlated (R2 > 0.95, 10 s averages) over a wide range of sampling conditions.« less

  19. Fracture mapping in geothermal fields with long-offset induction logging

    SciTech Connect (OSTI)

    Wilt, M.; Takasugi, Shinji; Uchida, Toshihiro; Kasameyer, P.; Lee, Ki Ha; Lippmann, M.

    1997-01-01

    The mapping of producing fractures in a geothermal field is an important technical objective in field development. Locating, orientating, and assessing producing fractures can guide drilling programs and optimize the placement of production and injection wells. A long-offset multicomponent borehole induction resistivity tool capable of surviving the high temperatures encountered in geothermal wells has recently been developed and tested in a high temperature environment. Several characteristics of this device make it ideal for detecting producing fractures. Whereas commercial induction logging devices have strong source-receiver separations of 1 m, this device has multiple sensors with separation of 8 m, allowing for deeper penetrations and the ability to straddle fracture-induced washout zones in boreholes. The three-component measurements also make it possible to map the strike and inclination of nearby fractures and other three-dimensional structures. This in turn allows for accurate projection of these structures into the space between wells.

  20. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study: Final Report

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2015-06-01

    Collect and evaluate data on federal fleet operations as part of the Advanced Vehicle Testing Activity’s Federal Fleet Vehicle Data Logging and Characterization Study. The Advanced Vehicle Testing Activity study seeks to collect and evaluate data to validate the utilization of advanced plug-in electric vehicle (PEV) transportation. This report summarizes the fleets studied to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.

  1. SU-C-BRD-03: Analysis of Accelerator Generated Text Logs for Preemptive Maintenance

    SciTech Connect (OSTI)

    Able, CM; Baydush, AH; Nguyen, C; Munley, MT; Gersh, J; Ndlovu, A; Rebo, I; Booth, J; Perez, M; Sintay, B

    2014-06-15

    Purpose: To develop a model to analyze medical accelerator generated parameter and performance data that will provide an early warning of performance degradation and impending component failure. Methods: A robust 6 MV VMAT quality assurance treatment delivery was used to test the constancy of accelerator performance. The generated text log files were decoded and analyzed using statistical process control (SPC) methodology. The text file data is a single snapshot of energy specific and overall systems parameters. A total of 36 system parameters were monitored which include RF generation, electron gun control, energy control, beam uniformity control, DC voltage generation, and cooling systems. The parameters were analyzed using Individual and Moving Range (I/MR) charts. The chart limits were calculated using a hybrid technique that included the use of the standard 3? limits and the parameter/system specification. Synthetic errors/changes were introduced to determine the initial effectiveness of I/MR charts in detecting relevant changes in operating parameters. The magnitude of the synthetic errors/changes was based on: the value of 1 standard deviation from the mean operating parameter of 483 TB systems, a small fraction (? 5%) of the operating range, or a fraction of the minor fault deviation. Results: There were 34 parameters in which synthetic errors were introduced. There were 2 parameters (radial position steering coil, and positive 24V DC) in which the errors did not exceed the limit of the I/MR chart. The I chart limit was exceeded for all of the remaining parameters (94.2%). The MR chart limit was exceeded in 29 of the 32 parameters (85.3%) in which the I chart limit was exceeded. Conclusion: Statistical process control I/MR evaluation of text log file parameters may be effective in providing an early warning of performance degradation or component failure for digital medical accelerator systems. Research is Supported by Varian Medical Systems, Inc.

  2. Properties of some ionic liquids based on1-methyl-3-octylimidazolium and 4-methyl-N-butylpyridinium cations.

    SciTech Connect (OSTI)

    Papaiconomou, Nicolas; Yakelis, Neal; Salminen, Justin; Bergman,Robert; Prausnitz, John M.

    2005-09-29

    Syntheses are reported for ionic liquids containing 1-methyl-3octylimidazolium and 4-methyl-N-butylpyridinium cations, and trifluoromethansulfonate, dicyanamide, bis(trifluoromethylsulfonyl)imide, and nonafluorobutanesulfonate anions. Densities, melting points and glass transition points, solubility in water as well as polarities have been measured. Ionic liquids based on pyridinium cations exhibit higher melting points, lower solubility in water, and higher polarity than those based on imidazolium cations.

  3. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds

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

    Kim, M. J.; Zoerb, M. C.; Campbell, N. R.; Zimmermann, K. J.; Blomquist, B. W.; Huebert, B. J.; Bertram, T. H.

    2015-10-01

    Benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e. DMS, ?-caryophyllene) as well as previously studied VOCs (i.e., isoprene, ?-pinene). Using a field deployable chemical ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt?1) to DMS, isoprene, and ?-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a weaker electric field, demonstrated that ion-molecule reactions likely proceed through amorecombination of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (R2=0.80) over a wide range of sampling conditions.less

  4. Differential inhibition of organic cations by the renal tubule of the chicken: relationship to Tm

    SciTech Connect (OSTI)

    Springate, J.; Hasan, M.; Rennick, B.; Acara, M.

    1986-03-01

    The ability of organic cations to differentially inhibit the renal excretion of two prototypical organic cations, tetraethylammonium (TEA) and N/sup 1/-methylnicotinamide (NMN), was investigated using the Sperber technique in chickens. /sup 3/H-TEA and /sup 14/C-NMN were infused simultaneously into the renal portal circulation and their transport efficiencies (TE) determined to be 106 +/- 11% and 81 +/- 13% respectively. Quinine, unlabelled NMN or TEA, added in increasing amounts, produced differential inhibition of TEA, NMN, or cimetidine (infused in separate experiments). Data using other competing organic cations (guinidine, ranitidine, triethylcholine) indicated that TEA was never more susceptible to inhibition than NMN. These results suggest that the magnitude of T/sub m/ is directly related to susceptibility to inhibition and indirectly to inhibitory potency.

  5. Non-immunogenic, hydrophilic/cationic block copolymers and uses thereof

    DOE Patents [OSTI]

    Scales, Charles W.; Huang, Faqing; McCormick, Charles L.

    2010-05-18

    The present invention provides novel non-immunogenic, hydrophilic/cationic block copolymers comprising a neutral-hydrophilic polymer and a cationic polymer, wherein both polymers have well-defined chain-end functionality. A representative example of such a block copolymer comprises poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) and poly(N-[3-(dimethylamino)propyl]methacrylamide) (PDMAPMA). Also provided is a synthesis method thereof in aqueous media via reversible addition fragmentation chain transfer (RAFT) polymerization. Further provided are uses of these block copolymers as drug delivery vehicles and protection agents.

  6. DFT studies of all fluorothiophenes and their cations as candidate monomers for conductive polymers

    SciTech Connect (OSTI)

    Shirani, Hossein; Jameh-Bozorghi, Saeed; Yousefi, Ali

    2015-01-22

    In this paper, electronic, structural, and properties of mono-, di-, tri-, and tetrafluorothiophenes and their radical cations are studied using the density functional theory and B3LYP method with 6-311++G** basis set. Also, the effects of the number and position of the substituent of fluorine atoms on the properties of the thiophene ring have been studied using optimized structures obtained for these molecules and their radical cations; vibrational frequencies, spin-density distribution, size and direction of the dipole moment vector, ionization potential, electric Polarizabilities, HOMO–LUMO gaps and NICS values of these compounds have been calculated and analyzed.

  7. Log analysis of six boreholes in conjunction with geologic characterization above and on top of the Weeks Island salt dome

    SciTech Connect (OSTI)

    Sattler, A.R.

    1996-04-01

    Six boreholes were drilled during the geologic characterization and diagnostics of the Weeks Island sinkhole that is over the two-tiered salt mine which was converted for oil storage by the US Strategic Petroleum Reserve. These holes were drilled to provide for geologic characterization of the Weeks Island Salt Dome and its overburden in the immediate vicinity of the sinkhole (mainly through logs and core); to establish a crosswell configuration for seismic tomography; to establish locations for hydrocarbon detection and tracer injection; and to Provide direct observations of sinkhole geometry and material properties. Specific objectives of the logging program were to: (1) identify the top of and the physical state of the salt dome; (2) identify the water table; (3) obtain a relative salinity profile in the aquifer within the alluvium, which ranges from the water table directly to the top of the Weeks Island salt dome; and (4) identify a reflecting horizon seen on seismic profiles over this salt dome. Natural gamma, neutron, density, sonic, resistivity and caliper logs were run. Neutron and density logs were run from inside the well casing because of the extremely unstable condition of the deltaic alluvium overburden above the salt dome. The logging program provided important information about the salt dome and the overburden in that (1) the top of the salt dome was identified at {approximately}189 ft bgl (103 ft msl), and the top of the dome contains relatively few fractures; (2) the water table is approximately 1 ft msl, (3) this aquifer appears to become steadily more saline with depth; and (4) the water saturation of much of the alluvium over the salt dome is shown to be influenced by the prevalent heavy rainfall. This logging program, a part of the sinkhole diagnostics, provides unique information about this salt dome and the overburden.

  8. High energy electron beam curing of epoxy resin systems incorporating cationic photoinitiators

    DOE Patents [OSTI]

    Janke, C.J.; Lopata, V.J.; Havens, S.J.; Dorsey, G.F.; Moulton, R.J.

    1999-03-02

    A mixture of epoxy resins such as a semi-solid triglycidyl ether of tris (hydroxyphenyl) methane and a low viscosity bisphenol A glycidyl ether and a cationic photoinitiator such as a diaryliodonium salt is cured by irradiating with a dosage of electron beams from about 50 to about 150 kGy, forming a cross-linked epoxy resin polymer.

  9. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J.; Chen, You-Xian

    2002-01-01

    Organo-Lewis acids of the formula BR'R".sub.2 wherein B is boron, R' is fluorinated biphenyl, and R" is a fluorinated phenyl, fluorinated biphenyl, or fluorinated polycyclic fused ring group, and cationic metallocene complexes formed therewith. Such complexes are useful as polymerization catalysts.

  10. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J.; Chen, You-Xian

    2001-01-01

    Organo-Lewis acids of the formula BR'R".sub.2 wherein B is boron, R' is fluorinated biphenyl, and R" is a fluorinated phenyl, fluorinated biphenyl, or fluorinated polycyclic fused ring group, and cationic metallocene complexes formed therewith. Such complexes are useful as polymerization catalysts.

  11. Spectroscopic signatures of proton transfer dynamics in the water dimer cation

    SciTech Connect (OSTI)

    Kamarchik, Eugene; Kostko, Oleg; Bowman, Joel M.; Ahmed, Musahid; Krylov, Anna I.

    2009-12-21

    Using full dimensional EOM-IP-CCSD/aug-cc-pVTZ potential energy surfaces, the photoelectron spectrum, vibrational structure, and ionization dynamics of the water dimer radical cation, (H2O)+2, were computed. We also report an experimental photoelectron spectrum which is derived from photoionization efficiency measurements and compares favorably with the theoretical spectrum. The vibrational structure is also compared with the recent experimental work of Gardenier et al. [J. Phys. Chem. A 113, 4772 (2009)] and the recent theoretical calculations by Cheng et al. [J. Phys. Chem. A 113 13779 (2009)]. A reduced dimensionality nuclear Hamiltonian was used to compute the ionization dynamics for both the ground state and first excited state of the cation. The dynamics show markedly different behavior and spectroscopic signatures depending on which state of the cation is accessed by the ionization. Ionization to the ground-state cation surface induces a hydrogen transfer which is complete within 50 femtoseconds, whereas ionization to the first excited state results in a much slower process.

  12. High energy electron beam curing of epoxy resin systems incorporating cationic photoinitiators

    DOE Patents [OSTI]

    Janke, Christopher J.; Lopata, Vincent J.; Havens, Stephen J.; Dorsey, George F.; Moulton, Richard J.

    1999-01-01

    A mixture of epoxy resins such as a semi-solid triglycidyl ether of tris (hydroxyphenyl) methane and a low viscosity bisphenol A glycidyl ether and a cationic photoinitiator such as a diaryliodonium salt is cured by irradiating with a dosage of electron beams from about 50 to about 150 kGy, forming a cross-linked epoxy resin polymer.

  13. Misfit strain driven cation inter-diffusion across an epitaxial multiferroic thin film interface

    SciTech Connect (OSTI)

    Sankara Rama Krishnan, P. S.; Munroe, Paul; Nagarajan, V.; Morozovska, Anna N.; Eliseev, Eugene A.; Ramasse, Quentin M.; Kepaptsoglou, Demie; Liang, Wen-I.; Chu, Ying-Hao

    2014-02-07

    Cation intermixing at functional oxide interfaces remains a highly controversial area directly relevant to interface-driven nanoelectronic device properties. Here, we systematically explore the cation intermixing in epitaxial (001) oriented multiferroic bismuth ferrite (BFO) grown on a (001) lanthanum aluminate (LAO) substrate. Aberration corrected dedicated scanning transmission electron microscopy and electron energy loss spectroscopy reveal that the interface is not chemically sharp, but with an intermixing of ?2?nm. The driving force for this process is identified as misfit-driven elastic strain. Landau-Ginzburg-Devonshire-based phenomenological theory was combined with the Sheldon and Shenoy formula in order to understand the influence of boundary conditions and depolarizing fields arising from misfit strain between the LAO substrate and BFO film. The theory predicts the presence of a strong potential gradient at the interface, which decays on moving into the bulk of the film. This potential gradient is significant enough to drive the cation migration across the interface, thereby mitigating the misfit strain. Our results offer new insights on how chemical roughening at oxide interfaces can be effective in stabilizing the structural integrity of the interface without the need for misfit dislocations. These findings offer a general formalism for understanding cation intermixing at highly strained oxide interfaces that are used in nanoelectronic devices.

  14. Phosphonium-Organophosphate Ionic Liquids as Lubricant Additives: Effects of Cation Structure on Physicochemical and Tribological Characteristics

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

    Barnhill, William C.; Qu, Jun; Luo, Huimin; Meyer III, Harry M.; Ma, Cheng; Chi, Miaofang; Papke, Brian L.

    2014-11-17

    In our previous work we suggest great potential for a phosphonium-organophosphate ionic liquid (IL) as an antiwear lubricant additive. In this study, a set of five ILs were carefully designed and synthesized, with identical organophosphate anions but dissimilar phosphonium cations, to allow systematic investigation of the effects of cation alkyl chain length and symmetry on physicochemical and tribological properties. Symmetric cations with shorter alkyl chains seem to increase the density and thermal stability due to closer packing. On the other hand, either higher cation symmetry or longer alkyl moieties induce a higher viscosity, though the viscosity index is dependent moremore » on molecular mass than on symmetry. While a larger cation size generally increases an IL’s solubility in nonpolar hydrocarbon oils, six-carbon seems to be the critical minimum alkyl chain length for high oil miscibility. Both the two ILs, that are mutually oil miscible, have demonstrated promising lubricating performance at 1.04% treat rate, though the symmetric-cation IL moderately outperformed the asymmetric-cation IL. Moreover, characterizations on the tribofilm formed by the best-performing symmetric-cation IL revealed the film thickness, nanostructure, and chemical composition. Our results provide fundamental insights for future molecular design in developing oil-soluble ILs as lubricant additives.« less

  15. Posterior propriety for hierarchical models with log-likelihoods that have norm bounds

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

    Michalak, Sarah E.; Morris, Carl N.

    2015-07-17

    Statisticians often use improper priors to express ignorance or to provide good frequency properties, requiring that posterior propriety be verified. Our paper addresses generalized linear mixed models, GLMMs, when Level I parameters have Normal distributions, with many commonly-used hyperpriors. It provides easy-to-verify sufficient posterior propriety conditions based on dimensions, matrix ranks, and exponentiated norm bounds, ENBs, for the Level I likelihood. Since many familiar likelihoods have ENBs, which is often verifiable via log-concavity and MLE finiteness, our novel use of ENBs permits unification of posterior propriety results and posterior MGF/moment results for many useful Level I distributions, including those commonlymore » used with multilevel generalized linear models, e.g., GLMMs and hierarchical generalized linear models, HGLMs. Furthermore, those who need to verify existence of posterior distributions or of posterior MGFs/moments for a multilevel generalized linear model given a proper or improper multivariate F prior as in Section 1 should find the required results in Sections 1 and 2 and Theorem 3 (GLMMs), Theorem 4 (HGLMs), or Theorem 5 (posterior MGFs/moments).« less

  16. Parameter estimation from flowing fluid temperature logging data in unsaturated fractured rock using multiphase inverse modeling

    SciTech Connect (OSTI)

    Mukhopadhyay, S.; Tsang, Y.; Finsterle, S.

    2009-01-15

    A simple conceptual model has been recently developed for analyzing pressure and temperature data from flowing fluid temperature logging (FFTL) in unsaturated fractured rock. Using this conceptual model, we developed an analytical solution for FFTL pressure response, and a semianalytical solution for FFTL temperature response. We also proposed a method for estimating fracture permeability from FFTL temperature data. The conceptual model was based on some simplifying assumptions, particularly that a single-phase airflow model was used. In this paper, we develop a more comprehensive numerical model of multiphase flow and heat transfer associated with FFTL. Using this numerical model, we perform a number of forward simulations to determine the parameters that have the strongest influence on the pressure and temperature response from FFTL. We then use the iTOUGH2 optimization code to estimate these most sensitive parameters through inverse modeling and to quantify the uncertainties associated with these estimated parameters. We conclude that FFTL can be utilized to determine permeability, porosity, and thermal conductivity of the fracture rock. Two other parameters, which are not properties of the fractured rock, have strong influence on FFTL response. These are pressure and temperature in the borehole that were at equilibrium with the fractured rock formation at the beginning of FFTL. We illustrate how these parameters can also be estimated from FFTL data.

  17. Shallow infiltration processes at Yucca Mountain, Nevada: Neutron logging data 1984--1993

    SciTech Connect (OSTI)

    Flint, L.E.; Flint, A.L.

    1995-12-31

    To determine site suitability of Yucca Mountain, Nevada, as a potential high-level radioactive waste repository, a study was devised to characterize net infiltration. This study involves a detailed data set produced from 99 neutron boreholes that consisted of volumetric water-content readings with depth from 1984 through 1993 at Yucca Mountain. Boreholes were drilled with minimal disturbance to the surrounding soil or rock in order to best represent field conditions. Boreholes were located in topographic positions representing infiltration zones identified as ridgetops, sideslopes, terraces, and active channels. Through careful field calibration, neutron moisture logs, collected on a monthly basis and representing most of the areal locations at Yucca Mountain, illustrated that the depth of penetration of seasonal moisture, important for escaping loss to evapotranspiration, was influenced by several factors. It was increased (1) by thin soil cover, especially in locations where thin soil is underlain by fractured bedrock; (2) on ridgetops; and (3) during the winter when evapotranspiration is low and runoff is less frequent. This data set helps to provide a seasonal and areal distribution of changes in volumetric water content with which to assess hydrologic processes contributing to net infiltration.

  18. Shallow infiltration processes at Yucca Mountain, Nevada - neutron logging data 1984-93

    SciTech Connect (OSTI)

    Flint, L.E.; Flint, A.L.

    1995-11-01

    To determine site suitability of Yucca Mountain, Nevada, as a potential high-level radioactive waste repository, a study was devised to characterize net infiltration. This study involves a detailed data set produced from 99 neutron boreholes that consisted of volumetric water-content readings with depth from 1984 through 1993 at Yucca Mountain. Boreholes were drilled with minimal disturbance to the surrounding soil or rock in order to best represent field conditions. Boreholes were located in topographic positions representing infiltration zones identified as ridge-tops, sideslopes, terraces, and active channels. Through careful field calibration, neutron moisture logs, collected on a monthly basis and representing most of the areal locations at Yucca Mountain, illustrated that the depth of penetration of seasonal moisture, important for escaping loss to evapotranspiration, was influenced by several factors. It was increased (1) by thin soil cover, especially in locations where thin soil is underlain by fractured bedrock; (2) on ridgetops; and (3) during the winter when evapotranspiration is low and runoff is less frequent. This data set helps to provide a seasonal and areal distribution of changes in volumetric water content with which to assess hydrologic processes contributing to net infiltration.

  19. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds

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

    Kim, Michelle J.; Zoerb, Matthew C.; Campbell, Nicole R.; Zimmermann, Kathryn J.; Blomquist, Byron W.; Huebert, Barry J.; Bertram, Timothy H.

    2016-01-01

    Benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e., DMS, β-caryophyllene) as well as previously studied VOCs (i.e., isoprene, α-pinene). Using a field deployable chemical-ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt−1) to DMS, isoprene, and α-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a much weaker electric field, demonstrated that ion–molecule reactions likely proceed through a combination of ligand-switching and directmore » charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (< 25 %) was observed for the detection of β-caryophyllene, a bicyclic sesquiterpene. The in-field stability of benzene cluster cations using CI-ToFMS was examined in the marine boundary layer during the High Wind Gas Exchange Study (HiWinGS). The use of benzene cluster cation chemistry for the selective detection of DMS was validated against an atmospheric pressure ionization mass spectrometer, where measurements from the two instruments were highly correlated (R2 > 0.95, 10 s averages) over a wide range of sampling conditions.« less

  20. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

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

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutronmore » reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.« less

  1. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

    SciTech Connect (OSTI)

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutron reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.

  2. SU-E-T-473: A Patient-Specific QC Paradigm Based On Trajectory Log Files and DICOM Plan Files

    SciTech Connect (OSTI)

    DeMarco, J; McCloskey, S; Low, D; Moran, J

    2014-06-01

    Purpose: To evaluate a remote QC tool for monitoring treatment machine parameters and treatment workflow. Methods: The Varian TrueBeamTM linear accelerator is a digital machine that records machine axis parameters and MLC leaf positions as a function of delivered monitor unit or control point. This information is saved to a binary trajectory log file for every treatment or imaging field in the patient treatment session. A MATLAB analysis routine was developed to parse the trajectory log files for a given patient, compare the expected versus actual machine and MLC positions as well as perform a cross-comparison with the DICOM-RT plan file exported from the treatment planning system. The parsing routine sorts the trajectory log files based on the time and date stamp and generates a sequential report file listing treatment parameters and provides a match relative to the DICOM-RT plan file. Results: The trajectory log parsing-routine was compared against a standard record and verify listing for patients undergoing initial IMRT dosimetry verification and weekly and final chart QC. The complete treatment course was independently verified for 10 patients of varying treatment site and a total of 1267 treatment fields were evaluated including pre-treatment imaging fields where applicable. In the context of IMRT plan verification, eight prostate SBRT plans with 4-arcs per plan were evaluated based on expected versus actual machine axis parameters. The average value for the maximum RMS MLC error was 0.067±0.001mm and 0.066±0.002mm for leaf bank A and B respectively. Conclusion: A real-time QC analysis program was tested using trajectory log files and DICOM-RT plan files. The parsing routine is efficient and able to evaluate all relevant machine axis parameters during a patient treatment course including MLC leaf positions and table positions at time of image acquisition and during treatment.

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

  5. Are the Radical Centers in Peptide Radical Cations Mobile? The Generation, Tautomerism, and Dissociation of Isomeric α-Carbon-Centered Triglycine Radical Cations in the Gas Phase

    SciTech Connect (OSTI)

    Chu, Ivan K.; Zhao, Junfang; Xu, Minjie; Siu, Shiu On; Hopkinson, Alan C.; Siu , K W Michael

    2008-05-31

    The mobility of the radical center in three isomeric triglycine radical cationss[G•GG]+, [GG•G]+, and [GGG•]+shas been investigated theoretically via density functional theory (DFT) and experimentally via tandem mass spectrometry. These radical cations were generated by collision-induced dissociations (CIDs) of Cu(II)-containing ternary complexes that contain the tripeptides YGG, GYG, and GGY, respectively (G and Y are the glycine and tyrosine residues, respectively). Dissociative electron transfer within the complexes led to observation of [Y•GG]+, [GY•G]+, and [GGY•]+; CID resulted in cleavage of the tyrosine side chain as p-quinomethide, yielding [G•GG]+, [GG•G]+, and [GGG•]+, respectively. Interconversions between these isomeric triglycine radical cations have relatively high barriers (g44.7 kcal/mol), in support of the thesis that isomerically pure [G•GG]+, [GG•G]+, and [GGG•]+ can be experimentally produced. This is to be contrasted with barriers < 17 kcal/mol that were encountered in the tautomerism of protonated triglycine [Rodriquez C. F. et al. J. Am. Chem. Soc. 2001, 123, 3006-3012]. The CID spectra of [G•GG]+, [GG•G]+, and [GGG•]+ were substantially different, providing experimental proof that initially these ions have distinct structures. DFT calculations showed that direct dissociations are competitive with interconversions followed by dissociation.

  6. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

    SciTech Connect (OSTI)

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti₃C₂ paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li⁺, Na⁺ or Mg²⁺ intercalation, differentiating the Ti₃C₂ paper from conventional electrodes where redox intercalation of ions (e.g. Li⁺) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performance and cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.

  7. Preferential solvation of lithium cations and impacts on oxygen reduction in lithium–air batteries

    SciTech Connect (OSTI)

    Zheng, Dong; Qu, Deyu; Yang, Xiao -Qing; Lee, Hung -Sui; Qu, Deyang

    2015-09-16

    The solvation of Li⁺ with eleven non-aqueous solvents commonly used as the electrolytes for Li batteries were studied. The solvation preferences of different solvents were compared by means of electrospray mass spectrometry and collision-induced dissociation. The relative strength of the solvent for the solvation of Li⁺ was determined. The Lewis acidity of the solvated Li⁺ cations was determined by the preferential solvation of the solvent in the solvation shell. The kinetics of the catalytic disproportionation of the O₂⁻ depends on the relative Lewis acidity of the solvated Li⁺ ion. The impact of the solvated Li⁺ cation on the O₂ redox reaction was also investigated.

  8. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

    SciTech Connect (OSTI)

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti?C? paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li?, Na? or Mg? intercalation, differentiating the Ti?C? paper from conventional electrodes where redox intercalation of ions (e.g. Li?) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performance and cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.

  9. Aza Cope Rearrangement of Propargyl Enammonium Cations Catalyzed By a Self-Assembled `Nanozyme

    SciTech Connect (OSTI)

    Hastings, Courntey J.; Fiedler, Dorothea; Bergman, Robert G.; Raymond, Kenneth N.

    2008-02-27

    The tetrahedral [Ga{sub 4}L{sub 6}]{sup 12-} assembly (L = N,N-bis(2,3-dihydroxybenzoyl)-1,5-diaminonaphthalene) encapsulates a variety of cations, including propargyl enammonium cations capable of undergoing the aza Cope rearrangement. For propargyl enammonium substrates that are encapsulated in the [Ga{sub 4}L{sub 6}]{sup 12-} assembly, rate accelerations of up to 184 are observed when compared to the background reaction. After rearrangement, the product iminium ion is released into solution and hydrolyzed allowing for catalytic turnover. The activation parameters for the catalyzed and uncatalyzed reaction were determined, revealing that a lowered entropy of activation is responsible for the observed rate enhancements. The catalyzed reaction exhibits saturation kinetics; the rate data obey the Michaelis-Menten model of enzyme kinetics, and competitive inhibition using a non-reactive guest has been demonstrated.

  10. Preferential solvation of lithium cations and impacts on oxygen reduction in lithium–air batteries

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

    Zheng, Dong; Qu, Deyu; Yang, Xiao -Qing; Lee, Hung -Sui; Qu, Deyang

    2015-09-16

    The solvation of Li⁺ with eleven non-aqueous solvents commonly used as the electrolytes for Li batteries were studied. The solvation preferences of different solvents were compared by means of electrospray mass spectrometry and collision-induced dissociation. The relative strength of the solvent for the solvation of Li⁺ was determined. The Lewis acidity of the solvated Li⁺ cations was determined by the preferential solvation of the solvent in the solvation shell. The kinetics of the catalytic disproportionation of the O₂⁻ depends on the relative Lewis acidity of the solvated Li⁺ ion. The impact of the solvated Li⁺ cation on the O₂ redoxmore » reaction was also investigated.« less

  11. Water soluble/dispersible and easy removable cationic adhesives and coating for paper recycling

    DOE Patents [OSTI]

    Deng, Yulin; Yan, Zegui

    2005-11-29

    The present invention is an adhesive or coating composition that is dispersible or dissolvable in water, making it useful in as a coating or adhesive in paper intended for recycling. The composition of the present invention is cationically charged thereby binding with the fibers of the paper slurry and thus, resulting in reduced deposition of adhesives on equipment during the recycling process. The presence of the composition of the present invention results in stronger interfiber bonding in products produced from the recycled fibers.

  12. Cloning and first functional characterization of a plant cyclic nucleotide-gated cation channel

    SciTech Connect (OSTI)

    Leng, Q.; Mercier, R.W.; Yao, W.; Berkowitz, G.A.

    1999-11-01

    Cyclic nucleotide-gated (cng) non-selective cation channels have been cloned from a number of animal systems. These channels are characterized by direct gating upon cAMO or cGMO binding to the intracellular portion of the channel protein, which leads to an increase in channel conductance. Animal cng channels are involved in signal transduction systems; they translate stimulus-induced changes in cytosolic cyclic nucleotide into altered cell membrane potential and/or cation flux as part of a signal cascade pathway. Putative plant homologs of animal cng channels have been identified. However, functional characterization (i.e., demonstration of cyclic-nucleotide-dependent ion currents) of a plant cng channel has not yet been accomplished. The authors report the cloning and first functional characterization of a plant member of this family of ion channels. The Arabidopsis cDNA AtCNGC2 encodes a polypeptide with deduced homology to the {alpha}-subunit of animal channels, and facilitates cyclic nucleotide-dependent cation currents upon expression in a number of heterologous systems. AtCNGC2 expression in a yeast mutant lacking a low-affinity K{sup +} uptake system complements growth inhibition only when lipophilic nucleotides are present in the culture medium. Voltage clamp analysis indicates that Xenopus lawvis oocytes injected with AtCNGC2 cRNA demonstrate cyclic-nucleotide-dependent, inward-rectifying K{sup +} currents. Human embryonic kidney cells (HEK293) transfected with AtCNGC2 cDNA demonstrate increased permeability to Ca{sup 2+} only in the presence of lipophilic cyclic nucleotides. The evidence presented here supports the functional classification of AtCNGC2 as a cyclic-nucleotide-gated cation channel, and presents the first direct evidence identifying a plant member of this ion channel family.

  13. Enhancing Cation-Exchange Capacity of Biochar for Soil Amendment and Global

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

    Carbon Sequestration - Energy Innovation Portal Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Enhancing Cation-Exchange Capacity of Biochar for Soil Amendment and Global Carbon Sequestration Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryPhotosynthesis captures more carbon dioxide from the atmosphere than any other process on Earth. However, because biomass is not stable and is always decomposing, it is of limited

  14. The Lightest Organic Radical Cation for Charge Storage in Redox Flow

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

    Batteries - Joint Center for Energy Storage Research August 25, 2016, Research Highlights The Lightest Organic Radical Cation for Charge Storage in Redox Flow Batteries A family of dimethoxybenzene derivatives have been designed and screened using a systematic pruning approach and a stepwise work flow. Compound 6 and 7 not only show promising results in the screening work flow, including cyclic voltammetry, bulk electrolysis cell tests, flow cell tests and EPR kinetic test, but also offer

  15. Strategies to Suppress Cation Vacancies in Metal Oxide Alloys: Consequences for Solar Energy Conversion

    SciTech Connect (OSTI)

    Toroker, Maytal; Carter, Emily A.

    2015-09-01

    First-row transition metal oxides (TMOs) are promising alternative materials for inexpensive and efficient solar energy conversion. However, their conversion efficiency can be deleteriously affected by material imperfections, such as atomic vacancies. In this work, we provide examples showing that in some iron-containing TMOs, iron cation vacancy formation can be suppressed via alloying. We calculate within density functional theory+U theory the iron vacancy formation energy in binary rock-salt oxide alloys that contain iron, manganese, nickel, zinc, and/or magnesium. We demonstrate that formation of iron vacancies is less favorable if we choose to alloy iron(II) oxide with metals that cannot readily accept vacancy-generated holes, e.g., magnesium, manganese, nickel, or zinc. Since there are less available sites for holes and the holes are forced to reside on iron cations, the driving force for iron vacancy formation decreases. These results are consistent with an experiment observing a sharp drop in cation vacancy concentration upon alloying iron(II) oxide with manganese.

  16. HYDROGENATION OF PAH CATIONS: A FIRST STEP TOWARD H{sub 2} FORMATION

    SciTech Connect (OSTI)

    Boschman, L.; Cazaux, S.; Spaans, M.; Reitsma, G.; Schlathoelter, T.; Hoekstra, R.; Gonzalez-Magana, O.

    2012-12-20

    Molecular hydrogen is the most abundant molecule in the universe. A large fraction of H{sub 2} forms by association of hydrogen atoms adsorbed on polycyclic aromatic hydrocarbons (PAHs), where formation rates depend crucially on the H sticking probability. We have experimentally studied PAH hydrogenation by exposing coronene cations, confined in a radio-frequency ion trap, to gas phase atomic hydrogen. A systematic increase of the number of H atoms adsorbed on the coronene with the time of exposure is observed. Odd coronene hydrogenation states dominate the mass spectrum up to 11 H atoms attached. This indicates the presence of a barrier preventing H attachment to these molecular systems. For the second and fourth hydrogenations, barrier heights of 72 {+-} 6 meV and 40 {+-} 10 meV, respectively, are found, which are in good agreement with theoretical predictions for the hydrogenation of neutral PAHs. Our experiments, however, prove that the barrier does not vanish for higher hydrogenation states. These results imply that PAH cations, as their neutral counterparts, exist in highly hydrogenated forms in the interstellar medium. Due to this catalytic activity, PAH cations and neutrals seem to contribute similarly to the formation of H{sub 2}.

  17. WELLOG: computer software system for analyzing and plotting well log data (a user's guide to WELLOG. REV2)

    SciTech Connect (OSTI)

    Atwood, J.W.; Killpack, T.J.; Glenn, W.E.; Nutter, C.

    1980-11-01

    WELLOG is a software system that has been developed to plot digitized well log data in a manner suitable for analysis. Multiple logs can be plotted side by side for correlation analysis, and up to three logs can be plotted on a cross plot. Data entry, editing, and modification functions are also provided by the program. Digitizing is accomplished by a TEKTRONIX 4954 (on-line) digitizing tablet, and plotting is done on a TEKTRONIX 4014 graphics terminal, a STATOS 42 electrostatic plotter, or a CALCOMP pen plotter using a device independent plotting system. This program (WELLOG.REV2) is not as system-dependent as the former version (WELLOG.REV1). The user must supply a program to digitize the data and supply subroutines to interface the program with file manipulation and plotting routines of their system. One major improvement is the use of an on-line digitizing system whereby the program accesses disk files rather than reading the data from tape. In REV2 the merge file has been automated such that the file is initialized automatically upon creation and also delete protected. The randomly spaced data capabilities have been greatly improved allowing the averaging and cross plotting of the data. Routines have been added which allow all of the cross plots excepting the Z-plot to be printed on a line printer. Dresser Atlas' A-K plot has also been added. The program is almost completely self-contained needing only a few interfacing and system subroutines.

  18. Statistical model for source rock maturity and organic richness using well-log data, Bakken Formation, Williston basin, United States

    SciTech Connect (OSTI)

    Krystinik, K.B.; Charpentier, R.R.

    1987-01-01

    A study of the Bakken Formation, the proposed source rock for much of the hydrocarbons generated in the Williston basin, was done using bulk density, neutron porosity, and resistivity logs, and formation temperatures. Principal components, cluster, and discriminant analyses indicate that the present-day distribution of organic matter controls much of the variability in the log values. Present-day total organic carbon values are high in the central part of the basin near northeastern Montana and along the east edge of the basin, and low in the area of the Nesson anticline and along the southwest edge of the basin. Using a regression of density on temperature and the analysis of residuals from this regression, hydrocarbon maturity effects were partially separated from depositional effects. These analyses suggest that original concentrations of organic matter were low near the limits of the Bakken and increased to a high in northeastern Montana. The pre-maturation distribution of total organic carbon and the present-day total organic carbon distribution, as determined by statistical analyses of well-log data, agree with the results of geochemical analyses. The distributions can be explained by a relatively simple depositional pattern and thermal history for the Bakken. 6 figures, 3 tables.

  19. Log analysis of six boreholes in conjunction with geologic characterization above and on top of the Weeks Island Salt Dome

    SciTech Connect (OSTI)

    Sattler, A.R.

    1996-06-01

    Six boreholes were drilled during the geologic characterization and diagnostics of the Weeks Island sinkhole that is over the two-tiered salt mine which was converted for oil storage by the U.S. Strategic Petroleum Reserve. These holes were drilled to provide for geologic characterization of the Weeks Island Salt Dome and its overburden in the immediate vicinity of the sinkhole (mainly through logs and core); to establish a crosswell configuration for seismic tomography; to establish locations for hydrocarbon detection and tracer injection; and to provide direct observations of sinkhole geometry and material properties. Specific objectives of the logging program were to: (1) identify the top of and the physical state of the salt dome; (2) identify the water table; (3) obtain a relative salinity profile in the aquifer within the alluvium, which ranges from the water table directly to the top of the Weeks Island salt dome; and (4) identify a reflecting horizon seen on seismic profiles over this salt dome. Natural gamma, neutron, density, sonic, resistivity and caliper logs were run.

  20. Use of MgO doped with a divalent or trivalent metal cation for removing arsenic from water

    DOE Patents [OSTI]

    Moore, Robert C; Holt-Larese, Kathleen C; Bontchev, Ranko

    2013-08-13

    Systems and methods for use of magnesium hydroxide, either directly or through one or more precursors, doped with a divalent or trivalent metal cation, for removing arsenic from drinking water, including water distribution systems. In one embodiment, magnesium hydroxide, Mg(OH).sub.2 (a strong adsorbent for arsenic) doped with a divalent or trivalent metal cation is used to adsorb arsenic. The complex consisting of arsenic adsorbed on Mg(OH).sub.2 doped with a divalent or trivalent metal cation is subsequently removed from the water by conventional means, including filtration, settling, skimming, vortexing, centrifugation, magnetic separation, or other well-known separation systems. In another embodiment, magnesium oxide, MgO, is employed, which reacts with water to form Mg(OH).sub.2. The resulting Mg(OH).sub.2 doped with a divalent or trivalent metal cation, then adsorbs arsenic, as set forth above. The method can also be used to treat human or animal poisoning with arsenic.

  1. Effect of a-site cation deficiency and YSZ additions on sintering and properties of doped lanthanum manganite

    SciTech Connect (OSTI)

    Stevenson, J.W.; Armstrong, T.R.; Weber, W.J.

    1995-06-01

    The sintering behavior of Ca- and Sr-doped lanthanum manganite (the preferred SOFC cathode material) is highly dependent on the relative proportion of A and B site cations in the material. In general, A-site cation deficiency increases sintered density. The effect of additions of YSZ to lanthanum manganite (to expand the reactive region at the cathode/electrolyte interface and improve thermal expansion and sintering shrinkage matches) on sintering and other properties will also be reported.

  2. Gas-phase energies of actinide oxides -- an assessment of neutral and cationic monoxides and dioxides from thorium to curium

    SciTech Connect (OSTI)

    Marcalo, Joaquim; Gibson, John K.

    2009-08-10

    An assessment of the gas-phase energetics of neutral and singly and doubly charged cationic actinide monoxides and dioxides of thorium, protactinium, uranium, neptunium, plutonium, americium, and curium is presented. A consistent set of metal-oxygen bond dissociation enthalpies, ionization energies, and enthalpies of formation, including new or revised values, is proposed, mainly based on recent experimental data and on correlations with the electronic energetics of the atoms or cations and with condensed-phase thermochemistry.

  3. Correlation of wireline log characteristics with hydrothermal alteration and other reservoir properties of the Salton Sea and Westmorland geothermal fields, Imperial Valley, California, USA

    SciTech Connect (OSTI)

    Muramoto, F.S.; Elders, W.A.

    1984-05-01

    A detailed study of wireline logs from 11 wells in the Salton Sea and Westmorland geothermal systems was undertaken in order to determine the effects of hydrothermal alteration on the response of electrical and gamma-gamma density well logs. For the Salton Sea geothermal field, definite correspondence between log responses and hydrothermal mineralogy is evident, which in turn is related to the physical properties of the rocks. Three hydrothermal and one unaltered zone can be identified from log data on shales. These are: (1) the unaltered montmorillonite zone (<100/sup 0/ to 190/sup 0/C); (2) the illite zone (100/sup 0/ to 190/sup 0/C to 230/sup 0/ to 250/sup 0/C); (3) the chlorite zone (230/sup 0/ to 250/sup 0/C to 290/sup 0/ to 300/sup 0/C); and (4) the feldspar zone (>290/sup 0/ to 300/sup 0/C). The characteristic responses on well logs by which these zones are identified result primarily from changes in clay mineralogy of the shales and increases in density with progressive hydrothermal metamorphism. In the Westmorland geothermal field, differentiating mineral zones from log responses was only partially successful. However, analyses of both well log and petrologic data for wells Landers 1 and Kalin Farms 1 suggest that the former is heating up and the latter is cooling.

  4. Species characterization and responses of subcortical insects to trap-logs and ethanol in a hardwood biomass plantation: Subcortical insects in hardwood plantations

    SciTech Connect (OSTI)

    Coyle, David R.; Brissey, Courtney L.; Gandhi, Kamal J. K.

    2015-01-02

    1. We characterized subcortical insect assemblages in economically important eastern cottonwood (Populus deltoides Bartr.), sycamore (Platanus occidentalis L.) and sweetgum (Liquidambar styraciflua L.) plantations in the southeastern U.S.A. Furthermore, we compared insect responses between freshly-cut plant material by placing traps directly over cut hardwood logs (trap-logs), traps baited with ethanol lures and unbaited (control) traps. 2. We captured a total of 15 506 insects representing 127 species in four families in 2011 and 2013. Approximately 9% and 62% of total species and individuals, respectively, and 23% and 79% of total Scolytinae species and individuals, respectively, were non-native to North America. 3. We captured more Scolytinae using cottonwood trap-logs compared with control traps in both years, although this was the case with sycamore and sweetgum only in 2013. More woodborers were captured using cottonwood and sweetgum trap-logs compared with control traps in both years, although only with sycamore in 2013. 4. Ethanol was an effective lure for capturing non-native Scolytinae; however, not all non-native species were captured using ethanol lures. Ambrosiophilus atratus (Eichhoff) and Hypothenemus crudiae (Panzer) were captured with both trap-logs and control traps, whereas Coccotrypes distinctus (Motschulsky) and Xyleborus glabratus Eichhoff were only captured on trap-logs. 5. Indicator species analysis revealed that certain scolytines [e.g. Cnestus mutilates (Blandford) and Xylosandrus crassiusculus (Motschulsky)] showed significant associations with trap-logs or ethanol baits in poplar or sweetgum trap-logs. In general, the species composition of subcortical insects, especially woodboring insects, was distinct among the three tree species and between those associated with trap-logs and control traps.

  5. Functional Mn–Mg{sub k} cation complexes in GaN featured by Raman spectroscopy

    SciTech Connect (OSTI)

    Devillers, T. Bonanni, A.; Leite, D. M. G.; Dias da Silva, J. H.

    2013-11-18

    The evolution of the optical branch in the Raman spectra of (Ga,Mn)N:Mg epitaxial layers as a function of the Mn and Mg concentrations, reveals the interplay between the two dopants. We demonstrate that the various Mn-Mg-induced vibrational modes can be understood in the picture of functional Mn–Mg{sub k} complexes formed when substitutional Mn cations are bound to k substitutional Mg through nitrogen atoms, the number of ligands k being driven by the ratio between the Mg and the Mn concentrations.

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

    SciTech Connect (OSTI)

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

    2015-08-15

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

  7. Synergistic extraction of some univalent cations into nitrobenzene by using cesium dicarbollylcobaltate and calix[4]arene-...

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Selucky, P.; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+ (aq) + CsL+ (nb) , ML+ (nb) + Cs+ (aq) taking place in the two-phase water nitrobenzene system (M+ = K+, Rb+, NH+4,Ag+, Tl+; L = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Furthermore, the stability constants of the ML+ complexes in nitrobenzene saturated with water were calculated; they were found to increase in the following cation order: NH+4 < K+ < Ag+ < Rb+ < Tl+.

  8. Cation-substituted spinel oxide and oxyfluoride cathodes for lithium ion batteries

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wongchang

    2014-05-13

    The present invention includes compositions and methods of making cation-substituted and fluorine-substituted spinel cathode compositions by firing a LiMn.sub.2-y-zLi.sub.yM.sub.zO.sub.4 oxide with NH.sub.4HF.sub.2 at low temperatures of between about 300 and 700.degree. C. for 2 to 8 hours and a .eta. of more than 0 and less than about 0.50, mixed two-phase compositions consisting of a spinel cathode and a layered oxide cathode, and coupling them with unmodified or surface modified graphite anodes in lithium ion cells.

  9. In-Situ TEM and DFT Study of Large Cation Transport and Failure Mechanism

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

    In Single SnO2 Nanowire - Joint Center for Energy Storage Research July 18, 2013, Research Highlights In-Situ TEM and DFT Study of Large Cation Transport and Failure Mechanism In Single SnO2 Nanowire (Top)Captured in-situ TEM movie frame showing the pristine SnO2 nanowire, displacement reaction upon Na insertion leads to two phases materials and the corresponding electron diffraction pattern. Upon desodiation, pore forms, leading to high impedence of the electrode. (Bottom) High resolution

  10. Is the assumption of normality or log-normality for continuous response data critical for benchmark dose estimation?

    SciTech Connect (OSTI)

    Shao, Kan; Gift, Jeffrey S.; Setzer, R. Woodrow

    2013-11-01

    Continuous responses (e.g. body weight) are widely used in risk assessment for determining the benchmark dose (BMD) which is used to derive a U.S. EPA reference dose. One critical question that is not often addressed in doseresponse assessments is whether to model the continuous data as normally or log-normally distributed. Additionally, if lognormality is assumed, and only summarized response data (i.e., mean standard deviation) are available as is usual in the peer-reviewed literature, the BMD can only be approximated. In this study, using the hybrid method and relative deviation approach, we first evaluate six representative continuous doseresponse datasets reporting individual animal responses to investigate the impact on BMD/BMDL estimates of (1) the distribution assumption and (2) the use of summarized versus individual animal data when a log-normal distribution is assumed. We also conduct simulation studies evaluating model fits to various known distributions to investigate whether the distribution assumption has influence on BMD/BMDL estimates. Our results indicate that BMDs estimated using the hybrid method are more sensitive to the distribution assumption than counterpart BMDs estimated using the relative deviation approach. The choice of distribution assumption has limited impact on the BMD/BMDL estimates when the within dose-group variance is small, while the lognormality assumption is a better choice for relative deviation method when data are more skewed because of its appropriateness in describing the relationship between mean and standard deviation. Additionally, the results suggest that the use of summarized data versus individual response data to characterize log-normal distributions has minimal impact on BMD estimates. - Highlights: We investigate to what extent the distribution assumption can affect BMD estimates. Both real data analysis and simulation study are conducted. BMDs estimated using hybrid method are more sensitive to

  11. Impact evaluation of energy conservation measures installed at Mayr Brothers Logging Company under the Energy Savings Plan

    SciTech Connect (OSTI)

    Brown, D.R.; Spanner, G.E.

    1995-05-01

    This impact evaluation of adjustable speed drives (ASDs), programmble logic controllers (PLCs), and high efficiency motors (HEMs) that were recently installed at Mayr Brothers Logging Co., Inc. (Mayr Bros.) was conducted for the Bonneville Power Administration (Bonneville) as part of an evaluation of its Energy $avings Plan (E$P) Program. The project consists of ASDs, PLCs, and HEMs that were installed at the Mayr Bros. new small log nill at their facility in Hoquiam, Washington. Energy savings directly accrue through improved motor efficiency and indirectly accrue via an increase in production rate. This latter effect reduces energy consumption per unit of production by spreading fixed energy requirements over a greater number of units. The objective of this impact evaluation was to assess how much electricity is being saved at Mayr Bros. as a result of the E$P and to determine how much the savings cost Bonneville and the region. The impact of the project was evaluated with a combination of engineering analysis, financial analysis, interviews, and submittal reviews (Mayr Bros. proposal and completion report). The energy conservation measures were incorporated into the small log mill while the mill was constructed in 1992 and 1993. Financing the new mill had stretched Mayr Bros. cash and credit resources to the limit. Without the acquisition payment, Mayr Bros. would not have been able to afford the additional investment in the energy conservation measures. Therefore, all of the project`s impact can be attributed to the E$P. The key recommendation resulting from this impact evaluation is to avoid the direct comparison of energy consumption estimates derived via engineering calculations and metering. If ``before and after`` metering is not possible, engineering calculations should be calibrated against metered data to enhance comparability.

  12. Summary Report of Geophysical Logging For The Seismic Boreholes Project at the Hanford Site Waste Treatment Plant.

    SciTech Connect (OSTI)

    Gardner, Martin G.; Price, Randall K.

    2007-02-01

    During the period of June through October 2006, three deep boreholes and one corehole were drilled beneath the site of the Waste Treatment Plant (WTP) at the U.S. Department of Energy (DOE) Hanford Site near Richland, Washington. The boreholes were drilled to provide information on ground-motion attenuation in the basalt and interbedded sediments underlying the WTP site. This report describes the geophysical logging of the deep boreholes that was conducted in support of the Seismic Boreholes Project, defined below. The detailed drilling and geological descriptions of the boreholes and seismic data collected and analysis of that data are reported elsewhere.

  13. Identification and Characterization of Hydrogeologic Units at the Nevada Test Site Using Geophysical Logs: Examples from the Underground Test Area Project

    SciTech Connect (OSTI)

    Lance Prothro, Sigmund Drellack, Margaret Townsend

    2009-03-25

    The diverse and complex geology of the Nevada Test Site region makes for a challenging environment for identifying and characterizing hydrogeologic units penetrated by wells drilled for the U.S. Department of Energy, National Nuclear Security Administration, Underground Test Area (UGTA) Environmental Restoration Sub-Project. Fortunately, UGTA geoscientists have access to large and robust sets of subsurface geologic data, as well as a large historical knowledge base of subsurface geological analyses acquired mainly during the underground nuclear weapons testing program. Of particular importance to the accurate identification and characterization of hydrogeologic units in UGTA boreholes are the data and interpretation principles associated with geophysical well logs. Although most UGTA participants and stakeholders are probably familiar with drill hole data such as drill core and cuttings, they may be less familiar with the use of geophysical logs; this document is meant to serve as a primer on the use of geophysical logs in the UGTA project. Standard geophysical logging tools used in the UGTA project to identify and characterize hydrogeologic units are described, and basic interpretation principles and techniques are explained. Numerous examples of geophysical log data from a variety of hydrogeologic units encountered in UGTA wells are presented to highlight the use and value of geophysical logs in the accurate hydrogeologic characterization of UGTA wells.

  14. Elucidating the Higher Stability of Vanadium (V) Cations in Mixed Acid Based Redox Flow Battery Electrolytes

    SciTech Connect (OSTI)

    Vijayakumar, M.; Wang, Wei; Nie, Zimin; Sprenkle, Vincent L.; Hu, Jian Z.

    2013-11-01

    The Vanadium (V) cation structures in mixed acid based electrolyte solution were analysed by density functional theory (DFT) based computational modelling and 51V and 35Cl Nuclear Magnetic Resonance (NMR) spectroscopy. The Vanadium (V) cation exists as di-nuclear [V2O3Cl2.6H2O]2+ compound at higher vanadium concentrations (≥1.75M). In particular, at high temperatures (>295K) this di-nuclear compound undergoes ligand exchange process with nearby solvent chlorine molecule and forms chlorine bonded [V2O3Cl2.6H2O]2+ compound. This chlorine bonded [V2O3Cl2.6H2O]2+ compound might be resistant to the de-protonation reaction which is the initial step in the precipitation reaction in Vanadium based electrolyte solutions. The combined theoretical and experimental approach reveals that formation of chlorine bonded [V2O3Cl2.6H2O]2+ compound might be central to the observed higher thermal stability of mixed acid based Vanadium (V) electrolyte solutions.

  15. Modeling cation diffusion in compacted water-saturatedNa-bentonite at low ionic strength

    SciTech Connect (OSTI)

    Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.

    2007-08-28

    Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the 'macropore/nanopore' model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the 'surface diffusion' model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm{sup -3} (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.2 kg dm{sup -3}.

  16. Electron channeling X-ray microanalysis for cation configuration in irradiate magnesium aluminate spinel

    SciTech Connect (OSTI)

    Matsumura, S.; Soeda, T.; Zaluzec, N. J.; Kinoshita, C.

    1999-12-22

    High angular resolution electron channeling X-ray spectroscopy (HARECXS) was examined as a practical tool to locate lattice-ions in spinel crystals. The orientation dependent intensity distribution of emitted X-rays obtained by HARECXS is so sensitive to lattice-ion configuration in the illuminated areas that the occupation probabilities on specific positions in the crystal lattice can be determined accurately through comparison with the theoretical rocking curves. HARECXS measurements have revealed partially disordered cation arrangement in MgO{center_dot}nAl{sub 2}O{sub 3} with n = 1.0 and 2.4. Most Al{sup 3+} lattice-ions occupy the octahedral (VIII) sites, while Mg{sup 2} lattice-ions reside on both the tetrahedral (IV) and the octahedral (VIII) sites. The structural vacancies are enriched in the IV-sites. Further evacuation of cations from the IV-sites to the VIII-sites is recognized in a disordering process induced by irradiation with 1 MeV Ne{sup +} ions up to 8.9 dpa at 870 K.

  17. Solvation structure and transport properties of alkali cations in dimethyl sulfoxide under exogenous static electric fields

    SciTech Connect (OSTI)

    Kerisit, Sebastien; Vijayakumar, M. E-mail: karl.mueller@pnnl.gov; Han, Kee Sung; Mueller, Karl T. E-mail: karl.mueller@pnnl.gov

    2015-06-14

    A combination of molecular dynamics simulations and pulsed field gradient nuclear magnetic resonance spectroscopy is used to investigate the role of exogenous electric fields on the solvation structure and dynamics of alkali ions in dimethyl sulfoxide (DMSO) and as a function of temperature. Good agreement was obtained, for select alkali ions in the absence of an electric field, between calculated and experimentally determined diffusion coefficients normalized to that of pure DMSO. Our results indicate that temperatures of up to 400 K and external electric fields of up to 1 V nm{sup −1} have minimal effects on the solvation structure of the smaller alkali cations (Li{sup +} and Na{sup +}) due to their relatively strong ion-solvent interactions, whereas the solvation structures of the larger alkali cations (K{sup +}, Rb{sup +}, and Cs{sup +}) are significantly affected. In addition, although the DMSO exchange dynamics in the first solvation shell differ markedly for the two groups, the drift velocities and mobilities are not significantly affected by the nature of the alkali ion. Overall, although exogenous electric fields induce a drift displacement, their presence does not significantly affect the random diffusive displacement of the alkali ions in DMSO. System temperature is found to have generally a stronger influence on dynamical properties, such as the DMSO exchange dynamics and the ion mobilities, than the presence of electric fields.

  18. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

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

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti₃C₂ paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li⁺, Na⁺ or Mg²⁺ intercalation, differentiating the Ti₃C₂ paper from conventional electrodes where redox intercalation of ions (e.g. Li⁺) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performancemore » and cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.« less

  19. Unexpected Actinyl Cation-Directed Structural Variation in Neptunyl(VI) A-Type Tri-lacunary Heteropolyoxotungstate Complexes

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

    Berg, John M.; Gaunt, Andrew J.; May, Iain; Pugmire, Alison L.; Reilly, Sean D.; Scott, Brian L.; Wilkerson, Marianne P.

    2015-04-22

    A-type tri-lacunary heteropolyoxotungstate anions (e.g., [PW9O34]9-, [AsW9O34]9-, [SiW9O34]10- and [GeW9O34]10-) are multi-dentate oxygen donor ligands that readily form sandwich complexes with actinyl cations ({UO2}2+, {NpO2}+, {NpO2}2+ & {PuO2}2+) in near neutral/slightly alkaline aqueous solutions. Two or three actinyl cations are sandwiched between two trilacunary anions, with additional cations (Na+, K+ or NH4 +) also often held within the cluster. Studies thus far have indicated that it is these additional +I cations, rather than the specific actinyl cation, that direct the structural variation in the complexes formed. We now report the structural characterization of the neptunyl (VI) cluster complex (NH4)13 [Na(NpO2)2(A-α-more » PW9O34)2]·12H2O. The anion in this complex, [Na(NpO2)2(PW9O34)2]13-, contains one Na+ cation and two {NpO2}2+ cations held between two [PW9O34]9- anions – with an additional partial occupancy NH4 + or {NpO2}2+ cation also present. In the analogous uranium (VI) system, under similar reaction conditions that includes an excess of NH4Cl in the parent solution, it was previously shown that [(NH4)2(UVIO2)2(A-PW9O34)2]12- is the dominant species in both solution and the crystallized salt. Spectroscopic studies provide further proof of differences in the observed chemistry for the {NpO2}2+/[PW9O34]9- and {UO2}2+/[PW9O34]9- systems, both in solution and in solid state complexes crystallized from comparable salt solutions. The work revealed that varying the actinide element (Np vs. U) can indeed measurably impact structure and complex stability in the cluster chemistry of actinyl (VI) cations with A-type tri-lacunary heteropolyoxotungstate anions.« less

  20. Consortium for coal log pipeline research and development. Final technical progress report, August 10, 1993--August 9, 1996

    SciTech Connect (OSTI)

    Marrero, T.R.

    1996-10-01

    The main objective of this project was to conduct intensive research and development of the Coal Log Pipeline (CLP). Specifically, the R & D was to concentrate on previously neglected and insufficiently studied aspects of CLP which were deemed significant. With improvements in these areas, CLP could be implemented for commercial use within five years. CLP technology is capable of transporting coal logs for long distances. The many potential advantages of CLP over truck and railroad transportation include: lower freight costs, less energy consumption, less air pollution, decreased environmental problems, increased safety, and improved reliability. Previous studies have shown that CLP is advantageous over slurry pipeline technology. First, CLP uses one-third the water required by a coal slurry pipeline. Second, CLP provides easier coal dewatering. Third, the CLP conveying capacity of coal is twice as much as a slurry transport line of equal diameter. In many situations, the cost for transporting each ton of coal is expected to be less expensive by CLP as compared to other competing modes of transportation such as: truck, unit train and slurry pipeline.

  1. Trench logs from a strand of the Rock Valley Fault System, Nevada Test Site, Nye County, Nevada

    SciTech Connect (OSTI)

    Yount, J.C.; Shroba, R.R.; McMasters, C.R.; Huckins, H.E.; Rodriguez, E.A.

    1987-12-31

    The Rock Valley fault system trends northeasterly through the southeast corner of the Nevada Test Site. The system records left-lateral offset of Paleozoic and Tertiary rocks, although total offset amounts to only a few kilometers. Distinct scarps in alluvial deposits of Quaternary age and a concentration of seismicity, particularly at its north end, suggest that the Rock Valley fault system may be active. Two trenches were excavated by backhoe in 1978 across a 0.5-m-high scarp produced by a strand of the Rock Valley fault system. A detailed logging of the two Rock Valley fault trenches was undertaken during the spring of 1984. This report presents: (1) logs of both walls of the two trenches, (2) a general description of the lithologic units and the soils formed in these units that are exposed in and near the fault trenches, (3) observations of the clast fabric of unfaulted and faulted deposits exposed in the trench walls, and (4) a map of the surficial deposits in the vicinity of the trenches.

  2. Gas-phase reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms

    SciTech Connect (OSTI)

    Demarais, Nicholas J.; Yang, Zhibo; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, 215 UCB, University of Colorado, Boulder, CO 80309-0215 (United States); Snow, Theodore P., E-mail: Nicholas.Demarais@Colorado.edu, E-mail: Zhibo.Yang@ou.edu, E-mail: Veronica.Bierbaum@Colorado.edu, E-mail: Theodore.Snow@Colorado.edu [Center for Astrophysics and Space Astronomy, 389 UCB, University of Colorado, Boulder, CO 80309-0389 (United States)

    2014-03-20

    We have studied the reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms. Reaction rate constants are measured at 300 K using a flowing afterglow-selected ion flow tube. We have implemented the laser induced acoustic desorption technique to allow the study of large, non-volatile species in the gas phase. The extension of this work from previous studies shows that the reactivity of polycyclic aromatic hydrocarbon cations with H atoms reaches a constant value for large cations. There is a small difference in reactivity when comparing molecules of different size and geometry; however, no difference in reactivity was found when nitrogen was incorporated into the ring.

  3. Geothermometry At Lassen Volcanic National Park Area (Janik ...

    Open Energy Info (EERE)

    sample taken had a pH of 8.35 and contained 2100 ppm Cl and 0.55 ppm NH3. Ratios of Na+K+ and Na+Cl remained nearly constant throughout the flow test. Cation geothermometers...

  4. Aqueous precipitation: Population balance modeling and control in multi-cation systems

    SciTech Connect (OSTI)

    Voigt, J.A.

    1996-03-01

    Efficient separation of metal species from aqueous streams by precipitation techniques requires a fundamental understanding of the processes that occur during precipitation. These processes include particle nucleation, particle growth by solute deposition, agglomerate formation, and agglomerate breakup. Population balance method has been used to develop a kinetic model that accounts for these competing kinetic processes. The usefulness of the model is illustrated through its application to precipitation of yttrium hydroxynitrate, YHN. Kinetic parameters calculated from the model equations and system-specific solution chemistry are used to describe several aspects of the effect of pH on YHN precipitation. Implications for simultaneous precipitation of more than one cation type are discussed with examples. Effects of solution chemistry, precipitator design, and solvent choice are considered.

  5. Single-stage separation and esterification of cation salt carboxylates using electrodeionization

    DOE Patents [OSTI]

    Lin, YuPo J.; Henry, Michael; Hestekin, Jamie; Snyder, Seth W.; St. Martin, Edward J.

    2006-11-28

    A method of and apparatus for continuously making an organic ester from a lower alcohol and an organic acid is disclosed. An organic acid or salt is introduced or produced in an electrode ionization (EDI) stack with a plurality of reaction chambers each formed from a porous solid ion exchange resin wafer interleaved between anion exchange membranes or an anion exchange membrane and a cation exchange membrane or an anion exchange membrane and a bipolar exchange membranes. At least some reaction chambers are esterification chambers and/or bioreactor chambers and/or chambers containing an organic acid or salt. A lower alcohol in the esterification chamber reacts with an anion to form an organic ester and water with at least some of the water splitting with the ions leaving the chamber to drive the reaction.

  6. Phenolic cation-exchange resin material for recovery of cesium and strontium. [Patent application

    DOE Patents [OSTI]

    Ebra, M.A.; Wallace, R.M.

    1982-05-05

    A phenolic cation exchange resin with a chelating group has been prepared by reacting resorcinol with iminodiacetic acid in the presence of formaldehyde at a molar ratio of about 1:1:6. The material is highly selective for the simultaneous recovery of both cesium and strontium from aqueous alkaline solutions, such as, aqueous alkaline nuclear wate solutions. The organic resins are condensation polymers of resorcinol and formaldehyde with attached chelating groups. The column performance of the resins compares favorably with that of commercially available resins for either cesium or strontium removal. By combining Cs/sup +/ and Sr/sup 2 +/ removal in the same bed, the resins allow significant reduction of the size and complexity of facilities for processing nuclear waste.

  7. Cation-substituted spinel oxide and oxyfluoride cathodes for lithium ion batteries

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wonchang

    2010-05-18

    The present invention includes compositions and methods of making cation-substituted and fluorine-substituted spinel cathode compositions by firing a LiMn2-y-zLiyMzO4 oxide with NH4HF2 at low temperatures of between about 300 and 700.degree. C. for 2 to 8 hours and a .eta. of more than 0 and less than about 0.50, mixed two-phase compositions consisting of a spinel cathode and a layered oxide cathode, and coupling them with unmodified or surface modified graphite anodes in lithium ion cells.

  8. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores

    SciTech Connect (OSTI)

    Uberuaga, Blas Pedro; Tang, Ming; Jiang, Chao; Valdez, James A.; Smith, Roger; Wang, Yongqiang; Sickafus, Kurt E.

    2015-10-29

    Understanding and predicting radiation damage evolution in complex materials is crucial for developing next-generation nuclear energy sources. Here, using a combination of ion beam irradiation, transmission electron microscopy and X-ray diffraction, we show that, contrary to the behaviour observed in pyrochlores, the amorphization resistance of spinel compounds correlates directly with the energy to disorder the structure. Using a combination of atomistic simulation techniques, we ascribe this behaviour to structural defects on the cation sublattice that are present in spinel but not in pyrochlore. Specifically, because of these structural defects, there are kinetic pathways for the relaxation of disorder in spinel that are absent in pyrochlore. This leads to a direct correlation between amorphization resistance and disordering energetics in spinel, the opposite of that observed in pyrochlores. Furthermore, these results provide new insight into the origins of amorphization resistance in complex oxides beyond fluorite derivatives.

  9. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores

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

    Uberuaga, Blas Pedro; Tang, Ming; Jiang, Chao; Valdez, James A.; Smith, Roger; Wang, Yongqiang; Sickafus, Kurt E.

    2015-10-29

    Understanding and predicting radiation damage evolution in complex materials is crucial for developing next-generation nuclear energy sources. Here, using a combination of ion beam irradiation, transmission electron microscopy and X-ray diffraction, we show that, contrary to the behaviour observed in pyrochlores, the amorphization resistance of spinel compounds correlates directly with the energy to disorder the structure. Using a combination of atomistic simulation techniques, we ascribe this behaviour to structural defects on the cation sublattice that are present in spinel but not in pyrochlore. Specifically, because of these structural defects, there are kinetic pathways for the relaxation of disorder in spinelmore » that are absent in pyrochlore. This leads to a direct correlation between amorphization resistance and disordering energetics in spinel, the opposite of that observed in pyrochlores. Furthermore, these results provide new insight into the origins of amorphization resistance in complex oxides beyond fluorite derivatives.« less

  10. Preparation of metallic cation conducting polymers based on sterically hindered phenols containing polymeric systems

    DOE Patents [OSTI]

    Skotheim, Terje A.; Okamoto, Yoshiyuki; Lee, Hung S.

    1989-01-01

    The present invention relates to ion-conducting solvent-free polymeric systems characterized as being cationic single ion conductors. The solvent-free polymer electrolytes comprise a flexible polymer backbone to which is attached a metal salt, such as a lithium, sodium or potassium salt, of a sterically hindered phenol. The solid polymer electrolyte may be prepared either by (1) attaching the hindered phenol directly to a flexible polymeric backbone, followed by neutralization of the phenolic OH's or (2) reacting the hindered phenol with a polymer precursor which is then polymerized to form a flexible polymer having phenolic OH's which are subsequently neutralized. Preferably the hindered phenol-modified polymeric backbone contains a polyether segment. The ionic conductivity of these solvent-free polymer electrolytes has been measured to be in the range of 10.sup.-4 to 10.sup.-7 S cm.sup.-1 at room temperature.

  11. Preparation of metallic cation conducting polymers based on sterically hindered phenols containing polymeric systems

    DOE Patents [OSTI]

    Skotheim, T.A.; Okamoto, Yoshiyuki; Lee, H.S.

    1989-11-21

    The present invention relates to ion-conducting solvent-free polymeric systems characterized as being cationic single ion conductors. The solvent-free polymer electrolytes comprise a flexible polymer backbone to which is attached a metal salt, such as a lithium, sodium or potassium salt, of a sterically hindered phenol. The solid polymer electrolyte may be prepared either by (1) attaching the hindered phenol directly to a flexible polymeric backbone, followed by neutralization of the phenolic OH's or (2) reacting the hindered phenol with a polymer precursor which is then polymerized to form a flexible polymer having phenolic OH's which are subsequently neutralized. Preferably the hindered phenol-modified polymeric backbone contains a polyether segment. The ionic conductivity of these solvent-free polymer electrolytes has been measured to be in the range of 10[sup [minus]4] to 10[sup [minus]7] S cm[sup [minus]1] at room temperature.

  12. A theoretical study of the reaction paths for cobalt cation + propane

    SciTech Connect (OSTI)

    Fedorov, D.G.; Gordon, M.S.

    2000-03-23

    The triplet potential energy surface for the reaction of cobalt cation with propane has been studied along the two main reaction pathways leading to the formation of (1) hydrogen and propene and (2) methane and ethene. Effective core potentials for all elements have been used for all calculations. The geometries have been optimized at the complete active space self-consistent field (CASSCF) level of theory, and the final energetics have been refined at the multireference second-order perturbation theory (MRMP2) level with polarization function augmented basis sets. Reasonable agreement with the experimental energetics has been obtained, and the predicted mechanism is consistent with the experimentally determined mechanism of Haynes, Fisher, and Armentrout (J.Phys.Chem. 1996, 100, 18300).

  13. A Hybrid Redox-Supercapacitor System with Anionic Catholyte and Cationic Anolyte

    SciTech Connect (OSTI)

    Wang, B; Macia-Agullo, JA; Prendiville, DG; Zheng, X; Liu, D; Zhang, Y; Boettcher, SW; Ji, X; Stucky, GD

    2014-04-11

    A significant challenge for energy storage technologies is to realize battery-level energy density and capacitor-level durability and power density in one device. By introducing an electrolyte composed of an anionic catholyte and a cationic anolyte into a symmetric carbon-based supercapacitor configuration, a hybrid electrochemical battery-supercapacitor system using soluble redox species delivers significantly improved energy density from 20 to 42 W.h/kg (based on the electrode mass) and stable capacities for > 10(4) cycles. The ionic species formed in the electrolyte are studied by UV-Vis, Raman and mass spectroscopy to probe the energy storage mechanism. The strategy is general and may provide a route to critically-needed fast-charging devices with both high energy density and power. (C) 2014 The Electrochemical Society. All rights reserved.

  14. Cationic quaternization of cellulose with methacryloyloxy ethyl trimethyl ammonium chloride via ATRP method

    SciTech Connect (OSTI)

    Supeno; Daik, Rusli; El-Sheikh, Said M.

    2014-09-03

    The synthesis of a cationic cellulose copolymer from cellulose macro-initiator (MCC-BiB) and quaternary compound monomer (METMA) via atom transfer radical polymerization (ATRP) was studied. By using dimethylformamide (DMF), the optimum condition for successful synthesis was at the mole ratio of MCC-BIB:Catalyst:METMA = 1:1:26. The highest copolymer recovery was 93.2 % for 6 h and at 40°C. The copolymer was insoluble in weak polar solvents such as THF and DMF but soluble in methanol and water. The chemistry of cellulose copolymer was confirmed by the FTIR and TGA in which the METMA monomer was used as a reference. The absence of CC bond in the CiB-g-METMA spectrum indicated that graft copolymerization occurred.

  15. Room-temperature ferroelectricity of SrTiO{sub 3} films modulated by cation concentration

    SciTech Connect (OSTI)

    Yang, Fang; Zhang, Qinghua; Yang, Zhenzhong; Gu, Junxing; Liang, Yan; Li, Wentao; Wang, Weihua; Jin, Kuijuan; Gu, Lin; Guo, Jiandong

    2015-08-24

    The room-temperature ferroelectricity of SrTiO{sub 3} is promising for oxide electronic devices controlled by multiple fields. An effective way to control the ferroelectricity is highly demanded. Here, we show that the off-centered antisite-like defects in SrTiO{sub 3} films epitaxially grown on Si (001) play the determinative role in the emergence of room-temperature ferroelectricity. The density of these defects changes with the film cation concentration sensitively, resulting in a varied coercive field of the ferroelectric behavior. Consequently, the room-temperature ferroelectricity of SrTiO{sub 3} films can be effectively modulated by tuning the temperature of metal sources during the molecular beam epitaxy growth. Such an easy and reliable modulation of the ferroelectricity enables the flexible engineering of multifunctional oxide electronic devices.

  16. Phenolic cation exchange resin material for recovery of cesium and strontium

    DOE Patents [OSTI]

    Ebra, Martha A.; Wallace, Richard M.

    1983-01-01

    A phenolic cation exchange resin with a chelating group has been prepared by reacting resorcinol with iminodiacetic acid in the presence of formaldehyde at a molar ratio of about 1:1:6. The material is highly selective for the simultaneous recovery of both cesium and strontium from aqueous alkaline solutions, such as, aqueous alkaline nuclear waste solutions. The organic resins are condensation polymers of resorcinol and formaldehyde with attached chelating groups. The column performance of the resins compares favorably with that of commercially available resins for either cesium or strontium removal. By combining Cs.sup.+ and Sr.sup.2+ removal in the same bed, the resins allow significant reduction of the size and complexity of facilities for processing nuclear waste.

  17. Self-Assembly of Hexanuclear Clusters of 4f and 5f Elements with Cation Specificity

    SciTech Connect (OSTI)

    Diwu, J.; Good, Justin J.; DiStefano, Victoria H.; Albrecht-Schmitt, Thomas E.

    2011-02-10

    Six hexanuclear clusters of 4f and 5f elements were synthesized by room-temperature slow concentration experiments. Cerium(IV), thorium(IV), and plutonium(IV) each form two different hexanuclear clusters, among which the cerium and plutonium clusters are isotypic, whereas the thorium clusters show more diversity. The change in ionic radii of approximately 0.08 Å between these different metal ions tunes the cavity size so that NH{sub 4}{sup +} (1.48 Å) has the right dimensions to assemble the cerium and plutonium clusters, whereas Cs{sup +} (1.69 Å) is necessary to assemble the thorium clusters. If these cations are not used in the reactions, only amorphous material is obtained.

  18. Methods and apparatus to produce stick-slip motion of logging tool attached to a wireline drawn upward by a continuously rotating wireline drum

    DOE Patents [OSTI]

    Vail, III, William Banning; Momii, Steven Thomas

    1998-01-01

    Methods and apparatus are described to produce stick-slip motion of a logging tool within a cased well attached to a wireline that is drawn upward by a continuously rotating wireline drum. The stick-slip motion results in the periodic upward movement of the tool in the cased well described in terms of a dwell time during which time the tool is stationary, the move time during which time the tool moves, and the stroke that is upward distance that the tool translates during the "slip" portion of the stick-slip motion. This method of measurement is used to log the well at different vertical positions of the tool. Therefore, any typical "station-to-station logging tool" may be modified to be a "continuous logging tool", where "continuous" means that the wireline drum continually rotates while the tool undergoes stick-slip motion downhole and measurements are performed during the dwell times when the tool is momentarily stationary. The stick-slip methods of operation and the related apparatus are particularly described in terms of making measurements of formation resistivity from within a cased well during the dwell times when the tool is momentarily stationary during the periodic stick-slip motion of the logging tool.

  19. Methods and apparatus to produce stick-slip motion of logging tool attached to a wireline drawn upward by a continuously rotating wireline drum

    DOE Patents [OSTI]

    Vail, W.B. III; Momii, S.T.

    1998-02-10

    Methods and apparatus are described to produce stick-slip motion of a logging tool within a cased well attached to a wireline that is drawn upward by a continuously rotating wireline drum. The stick-slip motion results in the periodic upward movement of the tool in the cased well described in terms of a dwell time during which time the tool is stationary, the move time during which time the tool moves, and the stroke that is upward distance that the tool translates during the ``slip`` portion of the stick-slip motion. This method of measurement is used to log the well at different vertical positions of the tool. Therefore, any typical ``station-to-station logging tool`` may be modified to be a ``continuous logging tool,`` where ``continuous`` means that the wireline drum continually rotates while the tool undergoes stick-slip motion downhole and measurements are performed during the dwell times when the tool is momentarily stationary. The stick-slip methods of operation and the related apparatus are particularly described in terms of making measurements of formation resistivity from within a cased well during the dwell times when the tool is momentarily stationary during the periodic stick-slip motion of the logging tool. 12 figs.

  20. Computational study of the energetics of charge and cation mixing in U1-xCexO₂

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

    Hanken, B. E.; Stanek, C. R.; Grønbech-Jensen, N.; Asta, M.

    2011-08-26

    The formalism of electronic density-functional theory (DFT), with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of fluorite-structured U1-xCexO₂ mixtures. The computational approach makes use of a procedure which facilitates convergence of the calculations to multiple self-consistent DFT+U solutions for a given cation arrangement, corresponding to different charge states for the U and Ce ions in several prototypical cation arrangements. Results indicate a significant dependence of the structural and energetic properties on the nature of both charge and cation ordering. With the effective Hubbard-U parameters that reproduce well the measured oxidation-reduction energies for urania and ceria,more » we find that charge transfer between U⁴⁺ and Ce⁴⁺ ions, leading to the formation of U⁵⁺ and Ce³⁺, gives rise to an increase in the mixing energy in the range of 4–14 kJ/mol of the formula unit, depending on the nature of the cation ordering. The results suggest that although charge transfer between uranium and cerium ions is disfavored energetically, it is likely to be entropically stabilized at the high temperatures relevant to the processing and service of urania-based solid solutions.« less

  1. Cation ordering and effect of biaxial strain in double perovskite CsRbCaZnCl6

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

    Pilania, G.; Uberuaga, B. P.

    2015-03-19

    Here, we investigate the electronic structure, energetics of cation ordering, and effect of biaxial strain on double perovskite CsRbCaZnCl6 using first-principles calculations based on density functional theory. The two constituents (i.e., CsCaCl3 and RbZnCl3) forming the double perovskite exhibit a stark contrast. While CsCaCl3 is known to exist in a cubic perovskite structure and does not show any epitaxial strain induced phase transitions within an experimentally accessible range of compressive strains, RbZnCl3 is thermodynamically unstable in the perovskite phase and exhibits ultra-sensitive response at small epitaxial strains if constrained in the perovskite phase. We show that combining the two compositionsmore » in a double perovskite structure not only improves overall stability but also the strain-polarization coupling of the material. Our calculations predict a ground state with P4/nmm space group for the double perovskite, where A-site cations (i.e., Cs and Rb) are layer-ordered and B-site cations (i.e., Ca and Zn) prefer a rocksalt type ordering. The electronic structure and bandgap in this system are shown to be quite sensitive to the B-site cation ordering and is minimally affected by the ordering of A-site cations. We find that at experimentally accessible compressive strains CsRbCaZnCl6 can be phase transformed from its paraelectric ground state to an antiferroelectric state, where Zn atoms contribute predominantly to the polarization. Furthermore, both energy difference and activation barrier for a transformation between this antiferroelectric state and the corresponding ferroelectric configuration are predicted to be small. As a result, the computational approach presented here opens a new pathway towards a rational design of novel double perovskites with improved strain response and functionalities.« less

  2. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil Under Transient Conditions

    SciTech Connect (OSTI)

    Ryan, Joseph

    2015-01-31

    Rainfall experiments were conducted using intact soil cores and an instrumented soil pedon to examine the effect of physical heterogeneity and rainfall characteristics on the mobilization of colloids, organic matter, cesium, and strontium in a fractured soil. To measure the spatial variability of infiltration of colloids and contaminants, samples were collected through a 19-port grid placed below the soil core in laboratory study and in 27 samplers at multiple depths in the soil pedon in the field study. Cesium and strontium were applied to the soil cores and the soil pedon prior to mobilization experiments. Rainwater solutions of multiple ionic strengths and organic matter concentrations were applied to the soil cores and soil pedon to mobilize in situ colloids, cesium, and strontium. The mobilization of colloids and metal cations occurred through preferential flow paths in the soil cores. Compared to steady rainfall, greater amounts of colloids were mobilized during rainfall interrupted by pauses, which indicates that the supply of colloids to be mobilized was replenished during the pauses. A maximum in the amount of mobilized colloids were mobilized during a rainfall following a pause of 2.5 d. Pauses of shorter or longer duration resulted in less colloid mobilization. Freeze-thaw cycles, a transient condition in winter, enhanced colloid mobilization and colloid-facilitated transport of cesium and strontium in the soil cores. The exchange of solutes between the soil matrix and macropores caused a hysteretic mobilization of colloids, cesium, and strontium during changes in ionic strength. Colloid-facilitated mobilization of cesium and strontium was important at low ionic strength in fractures where slow flow allowed greater exchange of flow between the fractures and the surrounding matrix. The release of cesium and strontium by cation exchange occurred at high ionic strength in fractures where there is a little exchange of pore water with the surrounding matrix

  3. Millisecond Kinetics of Nanocrystal Cation Exchange UsingMicrofluidic X-ray Absorption Spectroscopy

    SciTech Connect (OSTI)

    Chan, Emory M.; Marcus, Matthew A.; Fakra, Sirine; Elnaggar,Mariam S.; Mathies, Richard A.; Alivisatos, A. Paul

    2007-05-07

    We describe the use of a flow-focusing microfluidic reactorto measure the kinetics of theCdSe-to-Ag2Se nanocrystal cation exchangereaction using micro-X-ray absorption spectroscopy (mu XAS). The smallmicroreactor dimensions facilitate the millisecond mixing of CdSenanocrystal and Ag+ reactant solutions, and the transposition of thereaction time onto spatial coordinates enables the in situ observation ofthe millisecond reaction with mu XAS. XAS spectra show the progression ofCdSe nanocrystals to Ag2Se over the course of 100 ms without the presenceof long-lived intermediates. These results, along with supporting stoppedflow absorption experiments, suggest that this nanocrystal cationexchange reaction is highly efficient and provide insight into how thereaction progresses in individual particles. This experiment illustratesthe value and potential of in situ microfluidic X-ray synchrotrontechniques for detailed studies of the millisecond structuraltransformations of nanoparticles and other solution-phase reactions inwhich diffusive mixing initiates changes in local bond structures oroxidation states.

  4. Ionic liquids composed of phosphonium cations and organophosphate, carboxylate, and sulfonate as lubricant antiwear additives

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

    Zhou, Yan; Dyck, Jeffrey; Graham, Todd; Luo, Huimin; Leonard, Donovan N.; Qu, Jun

    2014-10-20

    Oil-soluble phosphonium-based ionic liquids (ILs) have recently been reported as potential ashless lubricant additives. This study is to expand the IL chemistry envelope and to achieve fundamental correlations between the ion structures and ILs’ physiochemical and tribological properties. Here we present eight ILs containing two different phosphonium cations and seven different anions from three groups: organophosphate, carboxylate, and sulfonate. The oil solubility of ILs seems largely governed by the IL molecule size and structure complexity. When used as oil additives, the ranking of effectiveness in wear protection for the anions are: organophosphate > carboxylate > sulfonate. All selected ILs outperformedmore » a commercial ashless anti-wear additive. Surface characterization from the top and the cross-section revealed the nanostructures and compositions of the tribo-films formed by the ILs. Some fundamental insights were achieved: branched and long alkyls improve the IL’s oil solubility, anions of a phosphonium-phosphate IL contribute most phosphorus in the tribofilm, and carboxylate anions, though free of P, S, N, or halogen, can promote the formation of an anti-wear tribofilm.« less

  5. Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion

    SciTech Connect (OSTI)

    Xian-Ming Bai; Yongfeng Zhang; Michael R. Tonks

    2013-10-01

    Zirconium alloys are the major fuel cladding materials in current reactors. The water-side corrosion is one of the major degradation mechanisms of these alloys. During corrosion the transport of oxidizing species in zirconium dioxide (ZrO2) determines the corrosion kinetics. Previously it has been argued that the outward diffusion of cation ions is important for forming protective oxides. In this work, the migration of Zr defects in tetragonal ZrO2 is studied with temperature accelerated dynamics and molecular dynamics simulations. The results show that Zr interstitials have anisotropic diffusion and migrate preferentially along the [001] or c direction in tetragonal ZrO2. The compressive stresses can increase the Zr interstitial migration barrier significantly. The migration barriers of some defect clusters can be much lower than those of point defects. The migration of Zr interstitials at some special grain boundaries is much slower than in a bulk oxide. The implications of these atomistic simulation results in the Zr corrosion are discussed.

  6. Independent control of the shape and composition of ionic nanocrystals through sequential cation exchange reactions

    SciTech Connect (OSTI)

    Luther, Joseph Matthew; Zheng, Haimei; Sadtler, Bryce; Alivisatos, A. Paul

    2009-07-06

    Size- and shape-controlled nanocrystal growth is intensely researched for applications including electro-optic, catalytic, and medical devices. Chemical transformations such as cation exchange overcome the limitation of traditional colloidal synthesis, where the nanocrystal shape often reflects the inherent symmetry of the underlying lattice. Here we show that nanocrystals, with established synthetic protocols for high monodispersity, can be templates for independent composition control. Specifically, controlled interconversion between wurtzite CdS, chalcocite Cu2S, and rock salt PbS occurs while preserving the anisotropic dimensions unique to the as-synthesized materials. Sequential exchange reactions between the three sulfide compositions are driven by the disparate solubilites of the metal ion exchange pair in specific coordinating molecules. Starting with CdS, highly anisotropic PbS nanorods are created, which serve as an important material for studying strong 2-dimensional quantum confinement, as well as for optoelectronic applications. Furthermore, interesting nanoheterostructures of CdS|PbS are obtained by precise control over ion insertion and removal.

  7. A search for the sulphur hexafluoride cation with intense, few cycle laser pulses

    SciTech Connect (OSTI)

    Dota, Krithika; Mathur, Deepak; Centre for Atomic and Molecular Physics, Manipal University, Manipal 576 104 ; Dharmadhikari, Aditya K.; Dharmadhikari, Jayashree A.; Patra, Kaustuv; Tiwari, Ashwani K.

    2013-11-21

    It is well established that upon ionization of sulphur hexafluoride, the SF{sub 6}{sup +} ion is never observed in mass spectra. Recent work with ultrashort intense laser pulses has offered indications that when strong optical field are used, the resulting bond hardening can induce changes in the potential energy surfaces of molecular cations such that molecular ions that are normally unstable may, indeed, become metastable enough to enable their detection by mass spectrometry. Do intense, ultrashort laser pulses permit formation of SF{sub 6}{sup +}? We have utilized intense pulses of 5 fs, 11 fs, and 22 fs to explore this possibility. Our results are negative: no evidence is discovered for SF{sub 6}{sup +}. However, multiply charged sulphur and fluorine ions from highly charged SF{sub 6}{sup q+} ions are observed that enable us to resolve the controversy regarding the kinetic energy release accompanying formation of F{sup +} fragment ions. Quantum chemical computations of field-distorted potential energy curves of SF{sub 6} and its molecular ion enable us to rationalize our non-observation of SF{sub 6}{sup +}. Our findings have implications for high harmonic generation from SF{sub 6} in the few-cycle regime.

  8. Ionic liquids composed of phosphonium cations and organophosphate, carboxylate, and sulfonate as lubricant antiwear additives

    SciTech Connect (OSTI)

    Zhou, Yan; Dyck, Jeffrey; Graham, Todd; Luo, Huimin; Leonard, Donovan N.; Qu, Jun

    2014-10-20

    Oil-soluble phosphonium-based ionic liquids (ILs) have recently been reported as potential ashless lubricant additives. This study is to expand the IL chemistry envelope and to achieve fundamental correlations between the ion structures and ILs’ physiochemical and tribological properties. Here we present eight ILs containing two different phosphonium cations and seven different anions from three groups: organophosphate, carboxylate, and sulfonate. The oil solubility of ILs seems largely governed by the IL molecule size and structure complexity. When used as oil additives, the ranking of effectiveness in wear protection for the anions are: organophosphate > carboxylate > sulfonate. All selected ILs outperformed a commercial ashless anti-wear additive. Surface characterization from the top and the cross-section revealed the nanostructures and compositions of the tribo-films formed by the ILs. Some fundamental insights were achieved: branched and long alkyls improve the IL’s oil solubility, anions of a phosphonium-phosphate IL contribute most phosphorus in the tribofilm, and carboxylate anions, though free of P, S, N, or halogen, can promote the formation of an anti-wear tribofilm.

  9. The detection and characterization of natural fractures using P-wave reflection data, multicomponent VSP, borehole image logs and the in-situ stress field determination

    SciTech Connect (OSTI)

    Hoekstra, P.

    1995-04-01

    The objectives of this project are to detect and characterize fractures in a naturally fractured tight gas reservoir, using surface seismic methods, borehole imaging logs, and in-situ stress field data. Further, the project aims to evaluate the various seismic methods as to their effectiveness in characterizing the fractures, and to formulate the optimum employment of the seismic methods as regards fracture characterization.

  10. Recovery Efficiency Test Project: Phase 1, Activity report. Volume 1: Site selection, drill plan preparation, drilling, logging, and coring operations

    SciTech Connect (OSTI)

    Overbey, W.K. Jr.; Carden, R.S.; Kirr, J.N.

    1987-04-01

    The recovery Efficiency Test well project addressed a number of technical issues. The primary objective was to determine the increased efficiency gas recovery of a long horizontal wellbore over that of a vertical wellbore and, more specifically, what improvements can be expected from inducing multiple hydraulic fractures from such a wellbore. BDM corporation located, planned, and drilled a long radius turn horizontal well in the Devonian shale Lower Huron section in Wayne County, West Virginia, demonstrating that state-of-the-art technology is capable of drilling such wells. BDM successfully tested drilling, coring, and logging in a horizontal well using air as the circulating medium; conducted reservoir modeling studies to protect flow rates and reserves in advance of drilling operations; observed two phase flow conditions in the wellbore not observed previously; cored a fracture zone which produced gas; observed that fractures in the core and the wellbore were not systematically spaced (varied from 5 to 68 feet in different parts of the wellbore); observed that highest gas show rates reported by the mud logger corresponded to zone with lowest fracture spacing (five feet) or high fracture frequency. Four and one-half inch casting was successfully installed in the borehole and was equipped to isolate the horizontal section into eight (8) zones for future testing and stimulation operations. 6 refs., 48 figs., 10 tabs.

  11. Logging in to Hopper

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

    it so that the applications run on the Hopper compute nodes. Accelerated X11 Performance NX is a freely available software package that greatly improves X11 performance over the...

  12. Induction logging device

    DOE Patents [OSTI]

    Koelle, A.R.; Landt, J.A.

    An instrument is disclosed for mapping vertical conductive fractures in a resistive bedrock, magnetically inducing eddy currents by a pair of vertically oriented, mutually perpendicular, coplanar coils. The eddy currents drive magnetic fields which are picked up by a second, similar pair of coils.

  13. FOIA Log 2012.xlsx

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

    FOIA Announcement FOIA Announcement November 4, 2014 - 12:04pm Addthis R--FOIA Support Services for the U.S. Department of Energy Solicitation Number: DE-SOL-0007713 Notice Type: Sources Sought Synopsis Added: Oct 28, 2014 Response Date: Nov 13, 2014 This announcement serves as a Sources Sought synopsis issued for the purpose of market research in accordance with Federal Acquisition Regulation (FAR) Part 10. This Sources Sought is issued solely for information and planning purposes and does not

  14. FOIA Log 2013.xlsx

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

    Rec'd Requestor HQ, EMCBC or Direct Subject 2/12/13 e-mail to HQ 13-001 10/4/2012 2/4/2013 Jehan Patterson HQ Rec'd 02/01/2013 Ten Categories of Records Since January 1, 2011 Related to DOE Computer Networks (HQ-2012-00062-F/Jehan Patterson) 3/5/13 13-025 13-002 3/5/2013 3/4/2013 Kacee Jackson Direct Request for Buyer Information for Any Buyers, Contracting Officers, or Credit Card Holders 8/6/13 e-mail to CBFO 13-003 7/31/2013 7/31/2013 Mary Grant Direct Miller Act Bond Copy Request for the

  15. Fracture detection logging tool

    DOE Patents [OSTI]

    Benzing, William M.

    1992-06-09

    A method and apparatus by which fractured rock formations are identified and their orientation may be determined includes two orthogonal motion sensors which are used in conjunction with a downhole orbital vibrator. The downhole vibrator includes a device for orienting the sensors. The output of the sensors is displayed as a lissajou figure. The shape of the figure changes when a subsurface fracture is encountered in the borehole. The apparatus and method identifies fractures rock formations and enables the azimuthal orientation of the fractures to be determined.

  16. FOIA Log 2014.xlsx

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

    from 09012013 To Present 42214 14-0239 14-005 3252014 3252014 Kenneth Fletcher, Exchange Monitor Publications HQ - 2014- 00727-F Communicatiuons between WIPP M&O...

  17. Job Logs & Statistics

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

    Training & Tutorials Software Policies User Surveys NERSC Users Group Help Staff Blogs Request Repository Mailing List Need Help? Out-of-hours Status and Password help Call ...

  18. Logging in to Franklin

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

    The login nodes on Franklin are directly connected to the internal high-speed "Seastar" network. Because of this you cannot login and work with data and files when the main system ...

  19. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    SciTech Connect (OSTI)

    Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

    2008-12-08

    The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

  20. A theoretical study on the interstellar synthesis of H{sub 2}NCS{sup +} and HNCSH{sup +} cations

    SciTech Connect (OSTI)

    Gronowski, Marcin; Kołos, Robert E-mail: rkolos@ichf.edu.pl

    2014-09-10

    HNCS and NCSH molecules, recently discovered in the interstellar medium, are likely formed via the dissociative recombination of H{sub 2}NCS{sup +} or HNCSH{sup +} isomeric ions. Interstellar synthesis of the latter is discussed on theoretical grounds. The analysis of relevant potential energy surfaces suggests a key role for chemical processes in which CSH{sup +} or HCS{sup +} cations (most likely formed in CS+H{sub 3}{sup +} collisions) react with NH{sub 2} or NH{sub 3}. The astrochemical kinetic database (kida.uva.2011), appended with 7 sulfur-bearing molecules and 48 corresponding reactions, has been applied to model the evolution of HNCS, NCSH, and their cationic precursors in a quiescent molecular cloud. Based on the model and on spectroscopic predictions, for an object like TMC-1, we expect the total intensity of H{sub 2}NCS{sup +} microwave lines to be comparable to that observed for HSCN. Theoretically derived molecular parameters, of interest for radio spectroscopy, are given for the most stable cations sharing the H{sub 2}NCS{sup +} stoichiometry.

  1. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Fort Vancouver National Historic Site

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-03-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energy’s Idaho National Laboratory, is the lead laboratory for the U.S. Department of Energy’s Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect data on federal fleet operations as part of the Advanced Vehicle Testing Activity’s Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect data to validate the use of advanced electric drive vehicle transportation. This report focuses on the Fort Vancouver National Historic Site (FVNHS) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of electric vehicles (EVs) into the agencies’ fleet. Individual observations of the selected vehicles provided the basis for recommendations related to EV adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles) could fulfill the mission requirements. FVNHS identified three vehicles in its fleet for consideration. While the FVNHS vehicles conduct many different missions, only two (i.e., support and pool missions) were selected by agency management to be part of this fleet evaluation. The logged vehicles included a pickup truck and a minivan. This report will show that BEVs and PHEVs are capable of performing the required missions and providing an alternative vehicle for both mission categories, because each has sufficient range for individual trips and time available each day for charging to accommodate multiple trips per day. These charging events could occur at the vehicle’s home base, high-use work areas, or in intermediate areas along routes that the vehicles frequently travel. Replacement of vehicles in the current fleet would result in

  2. Cation substitution in β-tricalcium phosphate investigated using multi-nuclear, solid-state NMR

    SciTech Connect (OSTI)

    Grigg, Andrew T.; Mee, Martin; Mallinson, Phillip M.; Fong, Shirley K.; Gan, Zhehong; Dupree, Ray; Holland, Diane

    2014-04-01

    The substitution of aluminium, gallium and sodium cations into β-tricalcium phosphate (β-TCP; Ca{sub 3}(PO{sub 4}){sub 2}) has been investigated, and the Ca sites involved successfully determined, using a combination of 1D {sup 31}P, {sup 27}Al, {sup 71}Ga, {sup 23}Na and {sup 43}Ca (natural abundance) NMR and 2D {sup 27}Al({sup 31}P), {sup 71}Ga({sup 31}P) and {sup 23}Na({sup 31}P) rotary-resonance-recoupled heteronuclear multiple-quantum correlation (R{sup 3}-HMQC) NMR. Over the compositional range studied, substitution of Ca{sup 2+} by Al{sup 3+} or Ga{sup 3+} was observed only on the Ca(5) site, whilst substitution by Na{sup +} was confined to the Ca(4) site. Some AlPO{sub 4} or GaPO{sub 4} second phase was observed at the highest doping levels in the Al{sup 3+} and Ga{sup 3+} substituted samples. - Graphical abstract: 2D contour plots with skyline projections showing recoupling of {sup 27}Al, {sup 71}Ga and {sup 23}Na to different {sup 31}P sites. - Highlights: • β-Ca{sub 3}(PO{sub 4}){sub 2} has been prepared pure and also with Al{sup 3+}, Ga{sup 3+} and Na{sup +} substituents. • Multi-nuclear 1D NMR and heteronuclear X({sup 31}P) recoupling have been used. • Models for substitution correctly predict site preference and occupancy. • Progressive changes in {sup 31}P spectra have been explained. • Al{sup 3+} and Ga{sup 3+} substitute onto the Ca(5) site, and Na{sup +} onto the Ca(4) site.

  3. Doping against the native propensity of MoS₂: Degenerate hole doping by cation substitution

    SciTech Connect (OSTI)

    Suh, Joonki; Park, Tae-Eon; Lin, Der-Yuh; Fu, Deyi; Park, Joonsuk; Jung, Hee Joon; Chen, Yabin; Ko, Changhyun; Jang, Chaun; Sun, Yinghui; Sinclair, Robert; Chang, Joonyeon; Tongay, Sefaattin; Wu, Junqiao

    2014-12-10

    Layered transition metal dichalcogenides (TMDs) draw much attention as the key semiconducting material for two-dimensional electrical, optoelectronic, and spintronic devices. For most of these applications, both n- and p-type materials are needed to form junctions and support bipolar carrier conduction. However, typically only one type of doping is stable for a particular TMD. For example, molybdenum disulfide (MoS₂) is natively an n-type presumably due to omnipresent electron-donating sulfur vacancies, and stable/controllable p-type doping has not been achieved. The lack of p-type doping hampers the development of charge-splitting p–n junctions of MoS₂, as well as limits carrier conduction to spin-degenerate conduction bands instead of the more interesting, spin-polarized valence bands. Traditionally, extrinsic p-type doping in TMDs has been approached with surface adsorption or intercalation of electron-accepting molecules. However, practically stable doping requires substitution of host atoms with dopants where the doping is secured by covalent bonding. In this work, we demonstrate stable p-type conduction in MoS₂ by substitutional niobium (Nb) doping, leading to a degenerate hole density of ~3 × 10¹⁹ cm⁻³. Structural and X-ray techniques reveal that the Nb atoms are indeed substitutionally incorporated into MoS₂ by replacing the Mo cations in the host lattice. van der Waals p–n homojunctions based on vertically stacked MoS₂ layers are fabricated, which enable gate-tunable current rectification. A wide range of microelectronic, optoelectronic, and spintronic devices can be envisioned from the demonstrated substitutional bipolar doping of MoS₂. From the miscibility of dopants with the host, it is also expected that the synthesis technique demonstrated here can be generally extended to other TMDs for doping against their native unipolar propensity.

  4. Kinetics of ion-ion mutual neutralization: Halide anions with polyatomic cations

    SciTech Connect (OSTI)

    Shuman, Nicholas S.; Wiens, Justin P.; Miller, Thomas M.; Viggiano, Albert A.

    2014-06-14

    The binary mutual neutralization (MN) of a series of 17 cations (O{sub 2}{sup +}, NO{sup +}, NO{sub 2}{sup +}, CO{sup +}, CO{sub 2}{sup +}, Cl{sup +}, Cl{sub 2}{sup +}, SO{sub 2}{sup +}, CF{sub 3}{sup +}, C{sub 2}F{sub 5}{sup +}, NH{sub 3}{sup +}, H{sub 3}{sup +}, D{sub 3}{sup +}, H{sub 2}O{sup +}, H{sub 3}O{sup +}, ArH{sup +}, ArD{sup +}) with 3 halide anions (Cl{sup −}, Br{sup −}, I{sup −}) has been investigated in a flowing afterglow-Langmuir probe apparatus using the variable electron and neutral density attachment mass spectrometry technique. The MN rate constants of atom-atom reactions are dominated by the chemical nature of the system (i.e., the specific locations of curve crossings). As the number of atoms in the system increases, the MN rate constants become dominated instead by the physical nature of the system (e.g., the relative velocity of the reactants). For systems involving 4 or more atoms, the 300 K MN rate constants are well described by 2.7 × 10{sup −7} μ{sup −0.5}, where the reduced mass is in Da and the resulting rate constants in cm{sup 3} s{sup −1}. An upper limit to the MN rate constants appears well described by the complex potential model described by Hickman assuming a cross-section to neutralization of 11 000 Å{sup 2} at 300 K, equivalent to 3.5 × 10{sup −7} μ{sup −0.5}.

  5. Glass-water interactions: Effect of high-valence cations on glass structure and chemical durability

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

    Pierce, Eric M.; Kerisit, Sebastien N.; Charpentier, Thibault; Angeli, Frederic; Icenhower, J. P.; McGrail, B. Pete; Charles F. Windisch; Burton, Sarah D.; Hopf, Juliane

    2016-02-27

    Spectroscopic measurements, dissolution experiments, and Monte Carlo simulations were performed to investigate the effect of high valence cations (HVC) on the mechanisms of glass dissolution under dilute and near-saturated conditions. Raman and NMR spectroscopy were used to determine the structural changes that occur in glass, specifically network formers (e.g., Al, Si, and B), with the addition of the HVC element hafnium in the Na2O Al2O3 B2O3 HfO2 SiO2 system (e.g., Na/(Al+B) = 1.0 and HfO2/SiO2 from 0.0 to 0.42). Spectroscopic measurements revealed that increasing hafnium content decreases N4 and increases the amount of Si–O–Hf moieties in the glass. Results frommore » flow through experiments conducted under dilute and near saturated conditions show a decrease of approximately 100 or more in the dissolution rate over the series from 0 to 20 mol% HfO2. Comparing the average steady-state rates obtained under dilute conditions to the rates obtained for near-saturated conditions reveal a divergence in the magnitude between the average steady state rates measured in these different conditions. The reason for this divergence was investigated more thoroughly using Monte Carlo simulations. Simulations indicate that the divergence in glass dissolution behavior under dilute and near-saturated conditions result from the formation of a low coordination Si sites when Si from the saturated solution adsorbs to Hf on the glass surface. The residence time of the newly formed low coordination Si sites is longer at the glass surface and increases the density of anchor sites from which altered layers with higher Si densities can form than in the absence of Hf. These results illustrate the importance of understanding solid water/solid-fluid interactions by linking macroscopic reaction kinetics to nanometer scale interfacial processes.« less

  6. Determination of Transport Properties From Flowing Fluid Temperature LoggingIn Unsaturated Fractured Rocks: Theory And Semi-Analytical Solution

    SciTech Connect (OSTI)

    Mukhopadhyay, Sumit; Tsang, Yvonne W.

    2008-08-01

    Flowing fluid temperature logging (FFTL) has been recently proposed as a method to locate flowing fractures. We argue that FFTL, backed up by data from high-precision distributed temperature sensors, can be a useful tool in locating flowing fractures and in estimating the transport properties of unsaturated fractured rocks. We have developed the theoretical background needed to analyze data from FFTL. In this paper, we present a simplified conceptualization of FFTL in unsaturated fractured rock, and develop a semianalytical solution for spatial and temporal variations of pressure and temperature inside a borehole in response to an applied perturbation (pumping of air from the borehole). We compare the semi-analytical solution with predictions from the TOUGH2 numerical simulator. Based on the semi-analytical solution, we propose a method to estimate the permeability of the fracture continuum surrounding the borehole. Using this proposed method, we estimated the effective fracture continuum permeability of the unsaturated rock hosting the Drift Scale Test (DST) at Yucca Mountain, Nevada. Our estimate compares well with previous independent estimates for fracture permeability of the DST host rock. The conceptual model of FFTL presented in this paper is based on the assumptions of single-phase flow, convection-only heat transfer, and negligible change in system state of the rock formation. In a sequel paper [Mukhopadhyay et al., 2008], we extend the conceptual model to evaluate some of these assumptions. We also perform inverse modeling of FFTL data to estimate, in addition to permeability, other transport parameters (such as porosity and thermal conductivity) of unsaturated fractured rocks.

  7. Logs of wells and boreholes drilled during hydrogeologic studies at Lawrence Livermore National Laboratory Site 300, January 1, 1982--June 30, 1988: January 1, 1982 through June 30, 1988

    SciTech Connect (OSTI)

    Toney, K.C.; Crow, N.B.

    1988-01-01

    We present the hydrogeologic well logs for monitor wells and exploratory boreholes drilled at Lawrence Livermore National Laboratory (LLNL) Site 300 between the beginning of environmental investigations in June 1982 and the end of June 1988. These wells and boreholes were drilled as part of studies made to determine the horizontal and vertical distribution of volatile organic compounds (VOCs), high explosive (HE) compounds, and tritium in soil, rock, and ground water at Site 300. The well logs for 293 installations comprise the bulk of this report. We have prepared summaries of Site 300 geology and project history that provide a context for the well logs. Many of the logs in this report have also been published in previous topical reports, but they are nevertheless included in order to make this report a complete record of the wells and boreholes drilled prior to July 1988. A commercially available computer program, LOGGER has been used since late 1985 to generate these logs. This report presents details of the software programs and the hardware used. We are presently completing a project to devise a computer-aided design (CAD) system to produce hydrogeologic cross sections and fence diagrams, utilizing the digitized form of these logs. We find that our system produces publication-quality well and exploratory borehole logs at a lower cost than that of logs drafted by traditional methods.

  8. Field project to obtain pressure core, wireline log, and production test data for evaluation of CO/sub 2/ flooding potential. Conoco MCA unit well No. 358, Maljamar Field, Lea County, New Mexico. Final report

    SciTech Connect (OSTI)

    Swift, T.E.; Kumar, R.M.; Marlow, R.E.; Wilhelm, M.H.

    1982-08-01

    Field operations, which were conducted as a cooperative effort between Conoco and Gruy Federal, began on January 16, 1980 when the well was spudded. The well was drilled to 3692 feet, and 18 cores recovered in 18 core-barrel runs (144 feet). Upon completion of the coring phase, the hole was drilled to a total depth of 4150 feet and a complete suite of geophysical logs was run. Logging was then followed by completion and testing by Concoco. Core porosities agreed well with computed log porosities. Core water saturation and computed log porosities agree fairly well from 3692 to 3712 feet, poorly from 3712 to 3820 feet and in a general way from 4035 to 4107 feet. Computer log analysis techniques did not improve the agreement of log versus core derived water saturations. However, both core and log analysis indicated the ninth zone had the highest residual hydrocarbon saturations. Residual oil saturation were 259 STB/acre-ft for the 4035 - 4055 feet interval, and 150 STB/acre-ft for the 3692 - 3718 feet interval. Nine BOPD was produced from the 4035 - 4055 feet interval and no oil was produced from 3692 to 3718 feet interval, qualitatively confirming the relative oil saturations. The low oil production in the zone from 4022 to 4055 and the lack of production from 3692 to 3718 feet indicated the zone to be at or near residual waterflood conditions as determined by log analysis. 68 figures, 11 tables.

  9. Carbon-carbon bond formation in cationic aryl-olefin-platinum (II) complexes

    SciTech Connect (OSTI)

    De Felice, V.; Renzi, A.D.; Tesauro, D.; Vitagliano, A.

    1992-11-01

    Cationic five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN) (6-Me-py-2-CH=NPh)(C{sub 2}H{sub 4})]{sup +} complexes (R{sup 1}, R{sup 2} = H, Me, OMe) undergo an unexpected rearrangement at 0{degrees}C in chloroform solution, affording, after treatment with aqueous LiCl, the neutral four-coordinate species [Pt(2-Et-4-R{sup 1}-5-R{sup 2}-C{sub 6}H{sub 2})Cl(6-Me-py-1-CH=NPh)]. Pt-C{sub aryl} bond breaking and making is involved in the whole process, resulting in a 1,2-shift of the platinum atom to an adjacent position of the benzene ring. The same compound is obtained, together with products deriving from a typical insertion, when an equimolar amount of ethylene is added to a chloroform solution of [Pt(3-R{sub 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN)(6-Me-py-2-CH=NPh)]{sup +} at 0{degrees}C. When higher ethylene/Pt ratios are used, only five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3}CH{sub 2}CH{sub 2})Cl(6-Me-py-2-CH{double_bond}NPh)(C{sub 2}H{sub 4})] complex is isolated. As the experimental data rule out the possibility of a (2-arylethyl)platinum to (2-ethylaryl)platinum rearrangement, different reaction paths are suggested for the two processes. When the two reactions are combined in a {open_quotes}one-pot{close_quotes} sequence, a regiocontrolled double alkylation of the aryl system can be obtained. The behavior substrates containing bidenate nitrogen ligands having different five-coordination stabilizing effects is examined, and data concerning the reactions of propene and styrene are reported. 13 refs., 3 tabs.

  10. Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding

    SciTech Connect (OSTI)

    Johnson, Grant E.; Olivares, Astrid M.; Hill, David E.; Laskin, Julia

    2015-01-01

    We present a systematic study of the effect of the number of methyl (Me) and cyclohexyl (Cy) functional groups in monodentate phosphine ligands on the solution-phase synthesis of ligated sub-nanometer gold clusters and their gas-phase fragmentation pathways. Small mixed ligand cationic gold clusters were synthesized using ligand exchange reactions between pre-formed triphenylphosphine ligated (PPh3) gold clusters and monodentate Me- and Cy-substituted ligands in solution and characterized using electrospray ionization mass spectrometry (ESI-MS) and collision-induced dissociation (CID) experiments. Under the same experimental conditions, larger gold-PPh3 clusters undergo efficient exchange of unsubstituted PPh3 ligands for singly Me- and Cy-substituted PPh2Me and PPh2Cy ligands. The efficiency of ligand exchange decreases with an increasing number of Me or Cy groups in the substituted phosphine ligands. CID experiments performed for a series of ligand-exchanged gold clusters indicate that loss of a neutral Me-substituted ligand is preferred over loss of a neutral PPh¬3 ligand while the opposite trend is observed for Cy-substituted ligands. The branching ratio of the competing ligand loss channels is strongly correlated with the electron donating ability of the phosphorous lone pair as determined by the relative proton affinity of the ligand. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3< PPh2Cy < PPhCy2< PCy3. Furthermore, the difference in relative ligand binding energies increases with the number of substituted PPh3-mMem or PPh3-mCym ligands (L) exchanged onto each cluster. This study provides the first experimental determination of the relative binding energies of ligated gold clusters containing differently substituted monophosphine ligands, which are important to controlling their synthesis and reactivity in solution. The results also indicate that ligand substitution is an important

  11. New iodocuprates(I) with N-heterocyclic molecules as the cations

    SciTech Connect (OSTI)

    Zhao, Jin-Jing; Zhang, Xiao; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing

    2013-11-15

    Under the hydrothermal conditions, the reactions between CuI, KI and bp/bpp (bp=4,4′-bipiperidine, bpp=1,3-bis(4-piperidyl)propane) in an acidic alcohol solution produced three new organically templated iodocuprates(I) as [H{sub 2}bp]{sub 2}[Cu{sub 2}I{sub 6}] 1, [tmbp][Cu{sub 2}I{sub 4}] 2 and [tmbpp] 2 [Cu{sub 4}I{sub 8}]·2H{sub 2}O 3 (tmbp{sup 2+}=N,N,N′,N′-tetramethyl-4,4′-bipiperidinium; tmbpp{sup 2+}=N,N,N′,N′-tetramethyl-1,3-bis(4-piperidyl)propane dication). X-ray analysis revealed that (i) tmbp{sup 2+} and tmbpp{sup 2+} in compounds 2 and 3 originated from the complete N-alklation of bp/bpp with CH{sub 3}OH; (ii) templated by H{sub 2}bp{sup 2+}, the inorganic anion [Cu{sub 2}I{sub 6}]{sup 2−} of 1 possesses a dinuclear structure, whereas templated by tmbp{sup 2+}, the inorganic anion [Cu{sub 2}I{sub 4}]{sup 2−} of 2 exhibits a one-dimensional (1D) chain structure; (iii) templated by tmbpp{sup 2+}, the inorganic anion [Cu{sub 4}I{sub 8}]{sup 4−} of 3 shows a cubane-like structure modified by four terminal I{sup −} ions. The photoluminescence analysis indicates that compounds 1 and 2 emit blue light, while compound 3 emits green light. - Graphical abstract: By employing hydrothermal in situ N-alkylation of bp/bpp with CH{sub 3}OH, three new organically templated iodocuprates(I) were obtained. Display Omitted - Highlights: • Three new organically templated iodocuprates(I) were reported. • Cations tmbp{sup 2+} and tmbpp{sup 2+} originated from in situ alkylation of bp/bpp with CH{sub 3}OH. • H{sup +} and I{sup −} play a key role in alkylation of bp/bpp with CH{sub 3}OH. • Photoluminescence emission for iodocuprates(I) is related to Cu···Cu interaction.

  12. SU-E-T-325: The New Evaluation Method of the VMAT Plan Delivery Using Varian DynaLog Files and Modulation Complexity Score (MCS)

    SciTech Connect (OSTI)

    Tateoka, K; Fujimomo, K; Hareyama, M; Saitou, Y; Nakazawa, T; Abe, T; Nakata, A; Yano, M

    2014-06-01

    Purpose: The aim of the study is to evaluate the use of Varian DynaLog files to verify VMAT plans delivery and modulation complexity score (MCS) of VMAT. Methods: Delivery accuracy of machine performance was quantified by multileaf collimator (MLC) position errors, gantry angle errors and fluence delivery accuracy for volumetric modulated arc therapy (VMAT). The relationship between machine performance and plan complexity were also investigated using the modulation complexity score (MCS). Plan and Actual MLC positions, gantry angles and delivered fraction of monitor units were extracted from Varian DynaLog files. These factors were taken from the record and verify system of MLC control file. Planned and delivered beam data were compared to determine leaf position errors and gantry angle errors. Analysis was also performed on planned and actual fluence maps reconstructed from those of the DynaLog files. This analysis was performed for all treatment fractions of 5 prostate VMAT plans. The analysis of DynaLog files have been carried out by in-house programming in Visual C++. Results: The root mean square of leaf position and gantry angle errors were about 0.12 and 0.15, respectively. The Gamma of planned and actual fluence maps at 3%/3 mm criterion was about 99.21. The gamma of the leaf position errors were not directly related to plan complexity as determined by the MCS. Therefore, the gamma of the gantry angle errors were directly related to plan complexity as determined by the MCS. Conclusion: This study shows Varian dynalog files for VMAT plan can be diagnosed delivery errors not possible with phantom based quality assurance. Furthermore, the MCS of VMAT plan can evaluate delivery accuracy for patients receiving of VMAT. Machine performance was found to be directly related to plan complexity but this is not the dominant determinant of delivery accuracy.

  13. One-photon mass-analyzed threshold ionization (MATI) spectroscopy of pyridine: Determination of accurate ionization energy and cationic structure

    SciTech Connect (OSTI)

    Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae E-mail: hlkim@kangwon.ac.kr; Kwon, Chan Ho E-mail: hlkim@kangwon.ac.kr

    2014-11-07

    Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm{sup −1} (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state ({sup 2}A{sub 2}), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C{sub 2v} symmetry through the C-N axis.

  14. AMENDMENT OF SOLlClTATlONlMODlFlCATION OF CONTRACT 1 I . CONTR"CT ID CODE

    National Nuclear Security Administration (NNSA)

    SOLlClTATlONlMODlFlCATION OF CONTRACT 1 I . CONTR"CT ID CODE BWXT Pantex, LLC Route 726, Mt. Athos Road Lynchburg, VA 24506 PAGE 1 OF 2 PAGES Albuquerque, NM 8718Ii4400 I Amarillo, TX 79120 9B. DATED (SEE m M 11) 10A. MODIFICATION OF CONTRACTIORDER NO. 8. NAME AND ADDRESS OF CONTRACTOR (No., street, county, &ate, ZIP Code) I ( DE-ACOCOOAL66620 10B. DATED (SEE / E M 13) 2. AMENDMENT/MODIFICATION NO. M097 9A. AMENDMENT OF SOLICITATION NO. Offera must a d t n d e d p rsceipt of this m e n

  15. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Golden Gate National Recreation Area

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-03-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energy's Idaho National Laboratory, is the lead laboratory for U.S. Department of Energy Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect data on federal fleet operations as part of the Advanced Vehicle Testing Activity's Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect data to validate the utilization of advanced electric drive vehicle transportation. This report focuses on the Golden Gate National Recreation Area (GGNRA) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies' fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (PHEV) (collectively PEVs) can fulfill the mission requirements. GGNRA identified 182 vehicles in its fleet, which are under the management of the U.S. General Services Administration. Fleet vehicle mission categories are defined in Section 4, and while the GGNRA vehicles conduct many different missions, only two (i.e., support and law enforcement missions) were selected by agency management to be part of this fleet evaluation. The selected vehicles included sedans, trucks, and sport-utility vehicles. This report will show that battery electric vehicles and/or PHEVs are capable of performing the required missions and providing an alternative vehicle for support vehicles and PHEVs provide the same for law enforcement, because each has a sufficient range for individual trips and time is available each day for charging to accommodate multiple trips per day. These charging events

  16. Combined Quantum Chemical/Raman Spectroscopic Analyses of Li+ Cation Solvation: Cyclic Carbonate Solvents - Ethylene Carbonate and Propylene Earbonate

    SciTech Connect (OSTI)

    Allen, Joshua L.; Borodin, Oleg; Seo, D. M.; Henderson, Wesley A.

    2014-12-01

    Combined computational/Raman spectroscopic analyses of ethylene carbonate (EC) and propylene carbonate (PC) solvation interactions with lithium salts are reported. It is proposed that previously reported Raman analyses of (EC)n-LiX mixtures have utilized faulty assumptions. In the present studies, density functional theory (DFT) calculations have provided corrections in terms of both the scaling factors for the solvent's Raman band intensity variations and information about band overlap. By accounting for these factors, the solvation numbers obtained from two different EC solvent bands are in excellent agreement with one another. The same analysis for PC, however, was found to be quite challenging. Commercially available PC is a racemic mixture of (S)- and (R)-PC isomers. Based upon the quantum chemistry calculations, each of these solvent isomers may exist as multiple conformers due to a low energy barrier for ring inversion, making deconvolution of the Raman bands daunting and inherently prone to significant error. Thus, Raman spectroscopy is able to accurately determine the extent of the EC...Li+ cation solvation interactions using the provided methodology, but a similar analysis of PC...Li+ cation solvation results in a significant underestimation of the actual solvation numbers.

  17. Alkali metal cation complexation by 1,3-alternate, mono-ionisable calix[4]arene-benzocrown-6 compounds

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

    Surowiec, Malgorzata A.; Custelcean, Radu; Surowiec, Kazimierz; Bartsch, Richard A.

    2014-04-23

    Alkali metal cation extraction behavior for two series of 1,3-alternate, mono-ionizable calix[4]arene-benzocrown-6 compounds is examined. In Series 1, the proton-ionizable group is a substituent on the benzo group of the polyether ring that directs it away from the crown ether cavity. In Series 2, the proton-ionizable group is attached to one para position in the calixarene framework, thus positioning it over the crown ether ring. Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform shows high Cs+ efficiency and selectivity. Single-species extraction pH profiles of Cs+ for Series 1 and 2 ligands with the same proton-ionizable groupmore » are very similar. Thus, association of Cs+ with the calixcrown ring is more important than the the proton-ionizable group’s position in relation to the crown ether cavity. Solid-state structures are presented for two unionized ligands from Series 2, as is a crystal containing two different ionized ligand–Cs+ complexes.« less

  18. Highly Active Electrolytes for Rechargeable Mg Batteries Based on [Mg2(?-Cl)2]2+ Cation Complex in Dimethoxyethane

    SciTech Connect (OSTI)

    Cheng, Yingwen; Stolley, Ryan M.; Han, Kee Sung; Shao, Yuyan; Arey, Bruce W.; Washton, Nancy M.; Mueller, Karl T.; Helm, Monte L.; Sprenkle, Vincent L.; Liu, Jun; Li, Guosheng

    2015-01-01

    Highly active electrolytes based on a novel [Mg2(?-Cl)2]2+ cation complex for reversible Mg deposition were developed and analyzed in this work. These electrolytes were formulated in dimethoxyethane through dehalodimerization of non-nucleophilic MgCl2 by reacting with either Mg salts (such as Mg(TFSI)2, TFSI= bis(trifluoromethane)sulfonylimide) or Lewis acid salts (such as AlEtCl2 or AlCl3). The cation complex was identified for the first time as [Mg2(?-Cl)2(DME)4]2+ (DME=dimethoxyethane) and its molecular structure was characterized by single crystal X-ray diffraction, Raman spectroscopy and NMR. The electrolyte synthesis process was studied and rational approaches for formulating highly active electrolytes were proposed. Through control of the anions, electrolytes with efficiency close to 100%, wide electrochemical window (up to 3.5V) and high ionic conductivity (> 6 mS/cm) were obtained. The electrolyte synthesis and understandings developed in this work could bring significant opportunities for rational formulation of electrolytes with the general formula [Mg2(?-Cl)2(DME)4][anion]x for practical Mg batteries.

  19. Alkali metal cation complexation by 1,3-alternate, mono-ionisable calix[4]arene-benzocrown-6 compounds

    SciTech Connect (OSTI)

    Surowiec, Malgorzata A.; Custelcean, Radu; Surowiec, Kazimierz; Bartsch, Richard A.

    2014-04-23

    Alkali metal cation extraction behavior for two series of 1,3-alternate, mono-ionizable calix[4]arene-benzocrown-6 compounds is examined. In Series 1, the proton-ionizable group is a substituent on the benzo group of the polyether ring that directs it away from the crown ether cavity. In Series 2, the proton-ionizable group is attached to one para position in the calixarene framework, thus positioning it over the crown ether ring. Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform shows high Cs+ efficiency and selectivity. Single-species extraction pH profiles of Cs+ for Series 1 and 2 ligands with the same proton-ionizable group are very similar. Thus, association of Cs+ with the calixcrown ring is more important than the the proton-ionizable group’s position in relation to the crown ether cavity. Solid-state structures are presented for two unionized ligands from Series 2, as is a crystal containing two different ionized ligand–Cs+ complexes.

  20. Remedial Action Plan and Site Design for Stabilization of the Inactive Uranium Mill Tailings Sites at Slick Rock, Colorado: Appendix B to Attachment 3, Lithologic logs and monitor well construction information. Final report

    SciTech Connect (OSTI)

    1995-09-01

    This volume contains lithology logs and monitor well construction information for: NC processing site; UC processing site; and Burro Canyon disposal site. This information pertains to the ground water hydrology investigations which is attachment 3 of this series of reports.

  1. SU-E-T-213: Initial Experience with VMAT Plan and Delivery Verification Using a DICOM-RT Framework and Linac Delivery Log Files

    SciTech Connect (OSTI)

    Reynolds, R; Pompos, A; Gu, X; Jiang, S; Stojadinovic, S

    2014-06-01

    Purpose: Mobius3D/MobiusFX (M3D/MFX), a commercial DICOM-RT based plan and delivery verification system, was used to compare calculated and delivered volumetric modulated arc therapy (VMAT) dose distributions using TrueBeam delivery log files (TrajectoryLogs). Methods: M3D/MFX utilizes measured linac commissioning data to generate institution specific beam models for evaluating planned and delivered dose distributions. 30 RapidArc prostate plans and 30 head and neck SmartArc plans were used in this study. For every plan, CT images, contoured structure sets, RT-plan, and RT-dose files were exported to M3D, which recalculated the patients’ planning CT dose distributions using a collapsed-cone-convolutionsuperposition algorithm. MFX utilized the acquired TrajectoryLogs to compute patients’ delivered dose distributions based on actual treatment delivery parameters. The agreement between computed and delivered dose distributions was evaluated utilizing a (3%, 3mm) global 3D-gamma analysis and dose-volume histogram changes for targets and organs at risk. Results: Excellent 3D-gamma agreements were observed for all VMAT plans. On average, for computed and delivered RapidArc and SmartArc plans the gamma passing rates were (99.0%±1.4%) and (96.8%±1.8%), respectively. The average difference for primary target prescription dose percent-coverage between calculated and delivered plans was (− 0.09%±2.52%) for RapidArc and (−2.71%±4.62%) for SmartArc cases. Similarly, the planning target mean dose differences were (1.38%±0.96%) for RapidArc and (1.17%±0.72%) for SmartArc plans. For the prostate plans, the calculated and delivered variations of the maximum dose for a 2cc volume for bladder and rectum were (1.32%±1.26%) and (0.65%±1.44%), respectively. The spinal-cord 2cc maximum dose differences of (3.26%±1.68%) were observed for the SmartArc plans. Conclusions: Clinical quality assurance practice based on linac treatment log files for verification of delivered 3D

  2. IN-SITU ASSAY OF TRANSURANIC RADIONUCLIDES IN THE VADOSE ZONE USING HIGH-RESOLUTION SPECTRAL GAMMA LOGGING - A HANFORD CASE STUDY

    SciTech Connect (OSTI)

    ROHAY VJ; HENWOOD P; MCCAIN R

    2009-11-30

    High-resolution spectral gamma logging in steel-cased boreholes is used to detect and quantify transuranic radionuclides in the subsurface. Pu-239, Pu-241, Am-241, and Np-237 are identified based on characteristic decay gammas. Typical minimum detectable levels are on the order of 20 to 40 nCi/g. In intervals of high transuranic concentrations, gamma rays from other sources may complicate analysis and interpretation. Gamma rays detected in the borehole may originate from three sources: decay of the parent transuranic radionuclide or a daughter; alpha interactions; and interactions with neutrons resulting from either spontaneous fission or alpha particle interactions.

  3. Field project to obtain pressure core, wireline log, and production test data for evaluation of CO/sub 2/ flooding potential, Conoco MCA unit well No. 358, Maljamar Field, Lea County, New Mexico

    SciTech Connect (OSTI)

    Swift, T.E.; Marlow, R.E.; Wilhelm, M.H.; Goodrich, J.H.; Kumar, R.M.

    1981-11-01

    This report describes part of the work done to fulfill a contract awarded to Gruy Federal, Inc., by the Department of Energy (DOE) on Feburary 12, 1979. The work includes pressure-coring and associated logging and testing programs to provide data on in-situ oil saturation, porosity and permeability distribution, and other data needed for resource characterization of fields and reservoirs in which CO/sub 2/ injection might have a high probability of success. This report details the second such project. Core porosities agreed well with computed log porosities. Core water saturation and computed log porosities agree fairly well from 3692 to 3712 feet, poorly from 3712 to 3820 feet and in a general way from 4035 to 4107 feet. Computer log analysis techniques incorporating the a, m, and n values obtained from Core Laboratories analysis did not improve the agreement of log versus core derived water saturations. However, both core and log analysis indicated the ninth zone had the highest residual hydrocarbon saturations and production data confirmed the validity of oil saturation determinations. Residual oil saturation, for the perforated and tested intervals were 259 STB/acre-ft for the interval from 4035 to 4055 feet, and 150 STB/acre-ft for the interval from 3692 to 3718 feet. Nine BOPD was produced from the interval 4035 to 4055 feet and no oil was produced from interval 3692 to 3718 feet, qualitatively confirming the relative oil saturations as calculated. The low oil production in the zone from 4022 to 4055 and the lack of production from 3692 to 3718 feet indicated the zone to be at or near residual waterflood conditions as determined by log analysis. This project demonstrates the usefulness of integrating pressure core, log, and production data to realistically evaluate a reservoir for carbon dioxide flood.

  4. IMPROVED V I log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Lawler, J. E.; Wood, M. P.; Den Hartog, E. A.; Feigenson, T.; Sneden, C.; Cowan, J. J. E-mail: mpwood@wisc.edu E-mail: tfeigenson@wisc.edu E-mail: cowan@nhn.ou.edu

    2015-01-01

    New emission branching fraction measurements for 836 lines of the first spectrum of vanadium (V I) are determined from hollow cathode lamp spectra recorded with the National Solar Observatory 1 m Fourier transform spectrometer (FTS) and a high-resolution echelle spectrometer. The branching fractions are combined with recently published radiative lifetimes from laser-induced fluorescence measurements to determine accurate absolute atomic transition probabilities for the 836 lines. The FTS data are also used to extract new hyperfine structure A coefficients for 26 levels of neutral vanadium. These new laboratory data are applied to determine the V abundance in the Sun and metal-poor star HD 84937, yielding log ε(V) = 3.956 ± 0.004 (σ = 0.037) based on 93 V I lines and log ε(V) = 1.89 ± 0.03 (σ = 0.07) based on nine V I lines, respectively, using the Holweger-Müller 1D model. These new V I abundance values for the Sun and HD 84937 agree well with our earlier determinations based upon V II.

  5. Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+δ

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

    Manthiram, Arumugam; Huq, Ashfia; Kan, Wang Hay; Lai, Ke -Yu

    2016-01-12

    With an aim to understand the origin of the low thermal expansion coefficients (TECs), cation substituted YBaCo4O7-type oxides have been investigated by in-situ neutron diffraction, bond valence sum (BVS), thermogravimetric analysis, and dilatometry. The compositions YBaCo4O7+δ, Y0.9ln0.1BaCo3ZnO7+δ, and Y0.9ln0.1BaCo3Zn0.6Fe0.4O7+δ) were synthesized by solid-state reaction at 1200 °C. Here, Rietveld refinement of the joint synchrotron X-ray and neutron diffraction data shows that the Zn and Fe dopants have different preferences to substitute the Co ions in the 6c and 2a sites.

  6. Full cell study of Diels Alder poly(phenylene) anion and cation exchange membranes in vanadium redox flow batteries

    SciTech Connect (OSTI)

    Pezeshki, Alan M.; Fujimoto, Cy; Sun, Che -Nan; Mench, Matthew M.; Zawodzinski, Thomas A.; Tang, Z. J.

    2015-11-14

    In this paper, we report on the performance of Diels Alder poly(phenylene) membranes in vanadium redox flow batteries. The membranes were functionalized with quaternary ammonium groups to form an anion exchange membrane (QDAPP) and with sulfonic acid groups to form a cation exchange membrane (SDAPP). Both membrane classes showed similar conductivities in the battery environment, suggesting that the ion conduction mechanism in the material is not strongly affected by the moieties along the polymer backbone. The resistance to vanadium permeation in QDAPP was not improved relative to SDAPP, further suggesting that the polarity of the functional groups do not play a significant role in the membrane materials tested. Both QDAPP and SDAPP outperformed Nafion membranes in cycling tests, with both achieving voltage efficiencies above 85% while maintaining 95% coulombic efficiency while at a current density of 200 mA/cm2.

  7. Full cell study of Diels Alder poly(phenylene) anion and cation exchange membranes in vanadium redox flow batteries

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

    Pezeshki, Alan M.; Fujimoto, Cy; Sun, Che -Nan; Mench, Matthew M.; Zawodzinski, Thomas A.; Tang, Z. J.

    2015-11-14

    In this paper, we report on the performance of Diels Alder poly(phenylene) membranes in vanadium redox flow batteries. The membranes were functionalized with quaternary ammonium groups to form an anion exchange membrane (QDAPP) and with sulfonic acid groups to form a cation exchange membrane (SDAPP). Both membrane classes showed similar conductivities in the battery environment, suggesting that the ion conduction mechanism in the material is not strongly affected by the moieties along the polymer backbone. The resistance to vanadium permeation in QDAPP was not improved relative to SDAPP, further suggesting that the polarity of the functional groups do not playmore » a significant role in the membrane materials tested. Both QDAPP and SDAPP outperformed Nafion membranes in cycling tests, with both achieving voltage efficiencies above 85% while maintaining 95% coulombic efficiency while at a current density of 200 mA/cm2.« less

  8. AMENDMENT OF SOLIr ATI ON/MODIFI CATION OF CONTRACT 1. CONTRACT ID CODE PAGE OF PAGES

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

    SOLIr ATI ON/MODIFI CATION OF CONTRACT 1. CONTRACT ID CODE PAGE OF PAGES 2 AMENDMENT/lIVDDIFICATiON NC 3. EFFECTIVE DATE [4 REDUISITION/PURCHASE REC NO IE PR3JECT NC (if applicable) 09 ISoe Bloo , 16- - ISee Soheoule S ISSUED D> CODE 7 ~ ADMINISTERED BY (if otnertrian ItemS CO DE Of fice of Ri-.er PoDLecOLODn office of Riv'er P-oCQ-ec-.iQ .S. Cet:F O<men of E-nerov,, I.S. Deparo:merio c-' Enrgv P.O. Box 4'5C 0 ... Box 45C .io ao 1 31 W YS: (-876 B. NAME AND ADDRESS CF CONTRACTOR (No seve

  9. Crystal Structure of an Integron Gene Cassette-Associated Protein from Vibrio cholerae Identifies a Cationic Drug-Binding Module

    SciTech Connect (OSTI)

    Deshpande, Chandrika N.; Harrop, Stephen J.; Boucher, Yan; Hassan, Karl A.; Di Leo, Rosa; Xu, Xiaohui; Cui, Hong; Savchenko, Alexei; Chang, Changsoo; Labbate, Maurizio; Paulsen, Ian T.; Stokes, H.W.; Curmi, Paul M.G.; Mabbutt, Bridget C.

    2012-02-15

    The direct isolation of integron gene cassettes from cultivated and environmental microbial sources allows an assessment of the impact of the integron/gene cassette system on the emergence of new phenotypes, such as drug resistance or virulence. A structural approach is being exploited to investigate the modularity and function of novel integron gene cassettes. We report the 1.8 {angstrom} crystal structure of Cass2, an integron-associated protein derived from an environmental V. cholerae. The structure defines a monomeric beta-barrel protein with a fold related to the effector-binding portion of AraC/XylS transcription activators. The closest homologs of Cass2 are multi-drug binding proteins, such as BmrR. Consistent with this, a binding pocket made up of hydrophobic residues and a single glutamate side chain is evident in Cass2, occupied in the crystal form by polyethylene glycol. Fluorescence assays demonstrate that Cass2 is capable of binding cationic drug compounds with submicromolar affinity. The Cass2 module possesses a protein interaction surface proximal to its drug-binding cavity with features homologous to those seen in multi-domain transcriptional regulators. Genetic analysis identifies Cass2 to be representative of a larger family of independent effector-binding proteins associated with lateral gene transfer within Vibrio and closely-related species. We propose that the Cass2 family not only has capacity to form functional transcription regulator complexes, but represents possible evolutionary precursors to multi-domain regulators associated with cationic drug compounds.

  10. METALLICITIES, DUST, AND MOLECULAR CONTENT OF A QSO-DAMPED Ly{alpha} SYSTEM REACHING log N(H I) = 22: AN ANALOG TO GRB-DLAs

    SciTech Connect (OSTI)

    Guimaraes, R.; Noterdaeme, P.; Petitjean, P.; Ledoux, C.; Srianand, R.; Rahmani, H.; Lopez, S.

    2012-06-15

    We present the elemental abundance and H{sub 2} content measurements of a damped Ly{alpha} (DLA) system with an extremely large H I column density, log N(H I) (cm{sup -2}) = 22.0 {+-} 0.10, at z{sub abs} = 3.287 toward the QSO SDSS J081634+144612. We measure column densities of H{sub 2}, C I, C I*, Zn II, Fe II, Cr II, Ni II, and Si II from a high signal-to-noise and high spectral resolution VLT-UVES spectrum. The overall metallicity of the system is [Zn/H] = -1.10 {+-} 0.10 relative to solar. Two molecular hydrogen absorption components are seen at z = 3.28667 and 3.28742 (a velocity separation of Almost-Equal-To 52 km s{sup -1}) in rotational levels up to J = 3. We derive a total H{sub 2} column density of log N(H{sub 2}) (cm{sup -2}) = 18.66 and a mean molecular fraction of f = 2N(H{sub 2})/[2N(H{sub 2}) + N(H I)] = 10{sup -3.04{+-}0.37}, typical of known H{sub 2}-bearing DLA systems. From the observed abundance ratios we conclude that dust is present in the interstellar medium of this galaxy, with an enhanced abundance in the H{sub 2}-bearing clouds. However, the total amount of dust along the line of sight is not large and does not produce any significant reddening of the background QSO. The physical conditions in the H{sub 2}-bearing clouds are constrained directly from the column densities of H{sub 2} in different rotational levels, C I and C I*. The kinetic temperature is found to be T Almost-Equal-To 75 K and the particle density lies in the range n{sub H} = 50-80 cm{sup -3}. The neutral hydrogen column density of this DLA is similar to the mean H I column density of DLAs observed at the redshift of {gamma}-ray bursts (GRBs). We explore the relationship between GRB-DLAs and the high column density end of QSO-DLAs finding that the properties (metallicity and depletion) of DLAs with log N(H I) > 21.5 in the two populations do not appear to be significantly different.

  11. Cation Intermixing And Electronic Deviations At The Insulating LaCrO3/SrTiO3(001) Interface

    SciTech Connect (OSTI)

    Colby, Robert J.; Qiao, Liang; Zhang, Hongliang; Shutthanandan, V.; Ciston, Jim; Kabius, Bernd C.; Chambers, Scott A.

    2013-10-29

    The interface between polar perovskite LaCrO3 (LCO) and non-polar SrTiO3(001) (STO), grown by molecular beam epitaxy, is examined using a combination of electron microscopy, spectroscopy, and Rutherford backscattering spectrometry. The LCO/STO(001) interface is insulating, a potential counter example for the claim that polar/nonpolar perovskite interfaces should be conductive by virtue of an electronic reconstruction to alleviate the polar discontinuity. The A-site cations of these ABO3 perovskites are found to diffuse across the interface to a greater extent than the B-site cations, based on high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy dispersive x-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS). The B-site cation valences are shown to be partially reduced near the interface by analysis of EELS near-edge structures. The location and direction of these electronic modifications do not intuitively compensate the charge imbalance imposed by uneven cation inter-diffusion, and yet both the film and interface are insulating. These results highlight the importance of both the physical and electronic structure of such complex interfaces in determining their characteristics. Furthermore, the extent of inter-diffusion is shown to increase with increasing LCO film thickness, suggesting a potential mechanism behind the critical thickness for interfacial conductivity in other polar/non-polar oxide systems, and a fundamental limitation on the formation of abrupt interfaces in LCO/STO(001).

  12. Apparatus including an equipotential housing and plurality of focused current electrodes for electrically logging a well formation at more than one lateral distance from a borehole

    SciTech Connect (OSTI)

    Womack, T.D.

    1987-04-21

    A well logging apparatus is described for obtaining information for measuring electrical properties of a formation intersected by a well bore, comprising: cable means for moving a housing through the well bore; an elongated housing having a continuous substantially equal potential along its length, the housing including: a first electrically conductive cylindrical member having a first threaded end portion; a first electrically conductive hub member having a second threaded end portion connected to the first threaded end portion. A second electrically conductive cylindrical member having a fourth threaded end portion connected to the third threaded end portion. A second electrically conductive hub member having a sixth threaded end portion connected to the fifth threaded end portion. A third electrically conductive cylindrical member having an eighth threaded end portion adapted to be connected to the seventh threaded end portion.

  13. Coverage Dependent Charge Reduction of Cationic Gold Clusters on Surfaces Prepared Using Soft Landing of Mass-selected Ions

    SciTech Connect (OSTI)

    Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

    2012-11-29

    The ionic charge state of monodisperse cationic gold clusters on surfaces may be controlled by selecting the coverage of mass-selected ions soft landed onto a substrate. Polydisperse diphosphine-capped gold clusters were synthesized in solution by reduction of chloro(triphenylphosphine)gold(I) with borane tert-butylamine in the presence of 1,3-bis(diphenylphosphino)propane. The polydisperse gold clusters were introduced into the gas phase by electrospray ionization and mass selection was employed to select a multiply charged cationic cluster species (Au11L53+, m/z = 1409, L = 1,3-bis(diphenylphosphino)propane) which was delivered to the surfaces of four different self-assembled monolayers on gold (SAMs) at coverages of 1011 and 1012 clusters/mm2. Employing the spatial profiling capabilities of in-situ time-of-flight secondary ion mass spectrometry (TOF-SIMS) it is shown that, in addition to the chemical functionality of the monolayer (as demonstrated previously: ACS Nano, 2012, 6, 573) the coverage of cationic gold clusters on the surface may be used to control the distribution of ionic charge states of the soft-landed multiply charged clusters. In the case of a 1H,1H,2H,2H-perfluorodecanethiol SAM (FSAM) almost complete retention of charge by the deposited Au11L53+ clusters was observed at a lower coverage of 1011 clusters/mm2. In contrast, at a higher coverage of 1012 clusters/mm2, pronounced reduction of charge to Au11L52+ and Au11L5+ was observed on the FSAM. When soft landed onto 16- and 11-mercaptohexadecanoic acid surfaces on gold (16,11-COOH-SAMs), the mass-selected Au11L53+ clusters exhibited partial reduction of charge to Au11L52+ at lower coverage and additional reduction of charge to both Au11L52+ and Au11L5+ at higher coverage. The reduction of charge was found to be more pronounced on the surface of the shorter (thinner) C11 than the longer (thicker) C16-COOH-SAM. On the surface of the 1-dodecanethiol (HSAM) monolayer, the most abundant charge state

  14. Field project to obtain pressure core, wireline log, and production test data for evaluation of CO/sub 2/ flooding potential. Texas Pacific Bennett Ranch Unit well No. 310, Wasson (San Andres) Field, Yoakum County, Texas

    SciTech Connect (OSTI)

    Swift, T.E.; Goodrich, J.H.; Kumar, R.M.; McCoy, R.L.; Wilhelm, M.H.; Glascock, M.R.

    1982-01-01

    The coring, logging and testing of Bennett Ranch Unit well No. 310 was a cooperative effort between Texas Pacific, owner of the well, and Gruy Federal, Inc. The requirements of the contract, which are summarized in Enclosure 1, Appendix A, include drilling and coring activities. The pressure-coring and associated logging and testing programs in selected wells are intended to provide data on in-situ oil saturation, porosity and permeability distribution, and other data needed for resource characterization of fields and reservoirs in which CO/sub 2/ injection might have a high probability of success. This report presents detailed information on the first such project. This project demonstrates the usefulness of integrating pressure core, log and production data to realistically evaluate a reservoir for carbon dioxide flood. The engineering of tests and analysis of such experimental data requires original thinking, but the reliability of the results is higher than data derived from conventional tests.

  15. Location and valence state of strontium cations on the framework of a carbon dioxide selective porous silicoaluminophosphate

    SciTech Connect (OSTI)

    Zhang, Li; Rivera-Ramos, Milton E.; Hernández-Maldonado, Arturo J.

    2014-05-28

    A Sr{sup 2+}-SAPO-34 material that displays superior CO2 adsorption selectivity and capacity was characterized via XPS and UV-vis spectroscopy to elucidate the valence state of strontium cations and framework silicon environment. Most importantly, the location of the strontium has been estimated from a Rietveld refinement analysis of synchrotron diffraction data. The XPS analysis indicated that the apparent valence state of the strontium is less than 2, an indication of its interaction with the large anionic framework. Furthermore, UV-vis tests pointed to changes in the silicon environment, plausibly related to this valence state or framework faulting. For the refinement, the analysis found that strontium occupied two unique sites: a site Sr1 slightly displaced from six-membered rings and a site Sr2 positioned at the top or bottom of the eight-membered rings. The latter position favors the interaction of the alkaline earth metal with CO{sub 2}, probably resulting in an enhanced electric field-quadrupole moment interaction.

  16. Combined Utilization of Cation Exchanger and Neutral Receptor to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts

    SciTech Connect (OSTI)

    Levitskaia, Tatiana G.; Lumetta, Gregg J.; Moyer, Bruce A.

    2004-03-29

    In this report, novel approaches to the selective liquid-liquid extraction separation of sodium hydroxide and sodium nitrate from high-level alkaline tank waste will be discussed. Sodium hydroxide can be successfully separated from alkaline tank-waste supernatants by weakly acidic lipophilic hydroxy compounds via a cation-exchange mechanism referred to as pseudo hydroxide extraction. In a multi-cycle process, as sodium hydroxide in the aqueous phase becomes depleted, it is helpful to have a neutral sodium receptor in the extraction system to exploit the high nitrate concentration in the waste solution to promote sodium removal by an ion-pair extraction process. Simultaneous utilization of an ionizable organic hydroxy compound and a neutral extractant (crown ether) in an organic phase results in the synergistic enhancement of ion exchange and improved separation selectivity due to the receptor's strong and selective sodium binding. Moreover, combination of the hydroxy compound and the crown ether provides for mutually increased solubility, even in a non-polar organic solvent. Accordingly, application of Isopar{reg_sign} L, a kerosene-like alkane solvent, becomes feasible. This investigation involves examination of such dual-mechanism extraction phases for sodium extraction from simulated and actual salt cake waste solutions. Sodium salts can be regenerated upon the contact of the loaded extraction phases with water. Finally, conditions of potential extraction/strip cycling will be discussed.

  17. Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: Comparison of temperature interlayer cation, and charge location effects

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

    Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Jove-Colon, Carlos F.; Cygan, Randall Timothy

    2015-08-27

    In this study, the swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for amore » montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.« less

  18. The use Na, Li, K cations for modification of ZSM-5 zewolite to control hydrocarbon cold-start emission

    SciTech Connect (OSTI)

    Golubeva V.; Rohatgi U.; Korableva, A.; Anischenko, O.; Kustov, L.; Nissenbaum, V; Viola, M.B.

    2012-08-29

    This paper addresses the problem of controlling hydrocarbon emissions from cold-start of engines by investigating the adsorbents which could adsorb the hydrocarbons at cold temperatures and hold them to 250-300 ?. The materials, that has been studied, are based on the modification of ZSM-5 (SiO{sub 2}/Al{sub 2}O{sub 3} = 35) zeolite with Li, K, Na cations. It has been shown that the introduction of Li, Na and K in an amount that is equivalent to the content of Al in zeolite results in occurrence of toluene temperature desorption peaks at high-temperatures. The toluene temperature desorption curves for 5%Li-ZSM-5 and 2.3%Na-ZSM-5 zeolites are identical and have peak toluene desorption rate between 200 to 400 ?. Upon analysis of toluene adsorption isotherms for 2.3%Na-ZSM-5 and 5%Li-ZSM-5, it was concluded that the toluene diffusion inside of the modified zeolites channels is extremely slow and the sorption capacity of 2.3%Na-ZSM-5 is higher than with 5%Li-ZSM-5. The 2.3%Na-ZSM-5 didn't change toluene temperature programmed desorption (TPD) rate of curve after the treatment in environment with 10% ?{sub 2}? at 750-800 ? for about 28 h. The 2.3%Na-ZSM-5 zeolite is very promising as adsorbent to control the cold-start hydrocarbon emissions.

  19. Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: Comparison of temperature interlayer cation, and charge location effects

    SciTech Connect (OSTI)

    Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Jove-Colon, Carlos F.; Cygan, Randall Timothy

    2015-08-27

    In this study, the swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for a montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.

  20. Geothermal Well Logging: Geological Wireline Logs and Fracture...

    Open Energy Info (EERE)

    Course on Geothermal Drilling, Resource Development and Power Plants; Santa Tecla, El Salvador; 20110116 Published Iceland GeoSurvey, 2011 DOI Not Provided Check for DOI...

  1. Interpretation of Flow Logs from Nevada Test Site Boreholes to Estimate Hydraulic conductivity Using Numerical Simulations Constrained by Single-Well Aquifer Tests

    SciTech Connect (OSTI)

    Garcia, C. Amanda; Halford, Keith J.; Laczniak, Randell J.

    2010-02-12

    Hydraulic conductivities of volcanic and carbonate lithologic units at the Nevada Test Site were estimated from flow logs and aquifer-test data. Borehole flow and drawdown were integrated and interpreted using a radial, axisymmetric flow model, AnalyzeHOLE. This integrated approach is used because complex well completions and heterogeneous aquifers and confining units produce vertical flow in the annular space and aquifers adjacent to the wellbore. AnalyzeHOLE simulates vertical flow, in addition to horizontal flow, which accounts for converging flow toward screen ends and diverging flow toward transmissive intervals. Simulated aquifers and confining units uniformly are subdivided by depth into intervals in which the hydraulic conductivity is estimated with the Parameter ESTimation (PEST) software. Between 50 and 150 hydraulic-conductivity parameters were estimated by minimizing weighted differences between simulated and measured flow and drawdown. Transmissivity estimates from single-well or multiple-well aquifer tests were used to constrain estimates of hydraulic conductivity. The distribution of hydraulic conductivity within each lithology had a minimum variance because estimates were constrained with Tikhonov regularization. AnalyzeHOLE simulated hydraulic-conductivity estimates for lithologic units across screened and cased intervals are as much as 100 times less than those estimated using proportional flow-log analyses applied across screened intervals only. Smaller estimates of hydraulic conductivity for individual lithologic units are simulated because sections of the unit behind cased intervals of the wellbore are not assumed to be impermeable, and therefore, can contribute flow to the wellbore. Simulated hydraulic-conductivity estimates vary by more than three orders of magnitude across a lithologic unit, indicating a high degree of heterogeneity in volcanic and carbonate-rock units. The higher water transmitting potential of carbonate-rock units relative

  2. An ab initio study of the electronic structure of the boron oxide neutral (BO), cationic (BO{sup +}), and anionic (BO{sup ?}) species

    SciTech Connect (OSTI)

    Magoulas, Ilias; Kalemos, Apostolos

    2014-09-28

    The BO neutral, cationic, and anionic molecular species have been painstakingly studied through multireference configuration interaction and single reference coupled cluster methods employing basis sets of quintuple cardinality. Potential energy curves have been constructed for 38 (BO), 37 (BO{sup +}), and 12 (BO{sup ?}) states and the usual molecular parameters have been extracted most of which are in very good agreement with the scarce experimental data. Numerous avoided crossings appear on more or less all of the studied states of the neutral and cationic species challenging the validity of the Born Oppenheimer approximation. Finally, all excited states of the anionic system lie above the ground state of the neutral BO system and are therefore resonances.

  3. A comparative study of optical absorption and photocatalytic properties of nanocrystalline single-phase anatase and rutile TiO{sub 2} doped with transition metal cations

    SciTech Connect (OSTI)

    Kernazhitsky, L.; Shymanovska, V.; Gavrilko, T.; Naumov, V.; Kshnyakin, V.; Khalyavka, T.

    2013-02-15

    The effect of nanocrystalline TiO{sub 2} doping with transition metal cations (Cu{sup 2+}, Fe{sup 3+}, Co{sup 2+}, Cr{sup 3+}) on their optical absorption and photocatalytic properties was investigated. The obtained metal-doped TiO{sub 2} samples were characterized by X-ray diffraction, scanning electron microscopy, and UV-vis absorption spectroscopy. It is shown that doping effect on anatase (A) and rutile (R) properties is quite different, being much stronger and complicated on A than on R. Contrary to doped R, doped A revealed a significant red shift of the absorption edge along with the band gap narrowing. Photocatalytic activity of anatase increases upon doping in the order: AR/Co>R/Cu>R/Fe>R/Cr, indicating the inhibitory effect of impurity cations. This fact correlates with the decrease in the UV absorption of the doped rutile in the region of the Hg-lamp irradiation at 4.88 eV. - Graphical abstract: A red shift of the absorption edge of nanocrystalline single-phase anatase after doping with transition metal cations. Highlights: Black-Right-Pointing-Pointer Single-phase anatase and rutile powders surface-doped with transition metal cations. Black-Right-Pointing-Pointer Absorption edge and band gap of rutile do not change with surface doping. Black-Right-Pointing-Pointer Band gap of surface-doped anatase reduces being the lowest for A/Fe. Black-Right-Pointing-Pointer The surface-doping improves photocatalytic activity of anatase. Black-Right-Pointing-Pointer The surface-doping inhibits photocatalytic activity of rutile.

  4. Influence of cationic substitutions on the first charge and reversible capacities of lithium-rich layered oxide cathodes

    SciTech Connect (OSTI)

    Wang, Chih-Chieh; Manthiram, Arumugam

    2013-06-24

    The reversible capacity values of lithium-rich layered oxide cathodes depend on the length (capacity) of the plateau region during the first charge. With an aim to understand the factors that control the length of the plateau region and thereby enhance the reversible capacity, the effects of various cationic substitutions in Li1.2Mn0.6Ni0.2O2 have been investigated systematically. Specifically, substitutions of (i) M3+ = Al3+, Cr3+, Fe3+, Co3+, and Ga3+ for equal amounts of Mn4+and Ni2+ in Li1.2Mn0.6-0.5xNi0.2-0.5xMxO2 with x = 0.06, 0.13, and 0.2, (ii) Ti4+ for Mn4+ in Li1.2Mn0.6-xTixNi0.2O2 with x = 0.025, 0.05, and 0.1, and (iii) Mg2+ for Ni2+ in Li1.2Mn0.6Ni0.2-xMgxO2 with x = 0.025, 0.05, and 0.1 have been investigated. The cationic substitutions affect the first charge capacity values both in the sloping region corresponding to the oxidation of the transition-metal ions to the 4+ state and in the plateau region corresponding to the oxidation of O2- ions to O2 and/or transition-metal ions beyond 4+, which control the reversible capacity values in subsequent cycles. While the changes in the sloping-region capacity could be readily understood by considering the redox activities of the transition-metal ions, the plateau-region capacity is found to depend sensitively on the metaloxygen covalence, which is dictated by the relative positions of the metal:3d band with respect to the top of the O2-:2p band, and electron delocalization. For instance, an overlap of the Co3+/4+:t2g band with the top of the O2-:2p band along with a partially filled t 2g band

  5. Unraveling the voltage fade mechanism in layer Li-Mn-rich electrode: formation of the tetrahedral cations for spinel conversion

    SciTech Connect (OSTI)

    Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P; Huq, Ashfia; Payzant, E Andrew; Wood III, David L; Daniel, Claus

    2014-01-01

    Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li1.2Mn0.55Ni0.15Co0.1O2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxide occurs through a tetrahedral cation intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(LiLioct LiLitet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [LiTM oct LiLitet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [MnTMoct MnLitet MnLioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.

  6. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the United States Forest Service: Caribou-Targhee National Forest

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort; Ian Nienhueser

    2014-06-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energy’s Idaho National Laboratory, is the lead laboratory for U.S. Department of Energy Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect and evaluate data on federal fleet operations as part of the Advanced Vehicle Testing Activity’s Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect and evaluate data to validate the utilization of advanced electric drive vehicle transportation. This report focuses on the Caribou-Targhee National Forest (CTNF) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements. ITSNA acknowledges the support of Idaho National Laboratory and CTNF for participation in the study. ITSNA is pleased to provide this report and is encouraged by enthusiasm and support from the Forest Service and CTNF personnel.

  7. IMPROVED V II log(gf) VALUES, HYPERFINE STRUCTURE CONSTANTS, AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Wood, M. P.; Lawler, J. E.; Den Hartog, E. A.; Sneden, C.; Cowan, J. J. E-mail: jelawler@wisc.edu E-mail: chris@verdi.as.utexas.edu

    2014-10-01

    New experimental absolute atomic transition probabilities are reported for 203 lines of V II. Branching fractions are measured from spectra recorded using a Fourier transform spectrometer and an echelle spectrometer. The branching fractions are normalized with radiative lifetime measurements to determine the new transition probabilities. Generally good agreement is found between this work and previously reported V II transition probabilities. Two spectrometers, independent radiometric calibration methods, and independent data analysis routines enable a reduction in systematic uncertainties, in particular those due to optical depth errors. In addition, new hyperfine structure constants are measured for selected levels by least squares fitting line profiles in the FTS spectra. The new V II data are applied to high resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to determine new, more accurate V abundances. Lines covering a range of wavelength and excitation potential are used to search for non-LTE effects. Very good agreement is found between our new solar photospheric V abundance, log ε(V) = 3.95 from 15 V II lines, and the solar-system meteoritic value. In HD 84937, we derive [V/H] = –2.08 from 68 lines, leading to a value of [V/Fe] = 0.24.

  8. FOIA_Log_2011.pdf

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

  9. Request Log Closedl Date Yes

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

    issued at the facility such s AEC regulatory decisions concerning Engelhard's ... I would like is: Station name, Phone number, Location street address, Location city. ...

  10. Log in | The Ames Laboratory

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

    Primary

  11. Trip Information Log Tracking System

    Energy Science and Technology Software Center (OSTI)

    1992-06-23

    The system is focused on the Employee Business Travel Event. The system must be able to CRUD (Create, Retrieve, Update, Delete) instances of the Travel Event as well as the ability to CRUD frequent flyer milage associated with airline travel. Additionally the system must provide for a compliance reporting system to monitor reductions in travel costs and lost opportunity costs (i.e., not taking advantage of business class or 7 day advance tickets).

  12. Image Logs | Open Energy Information

    Open Energy Info (EERE)

    StratigraphicStructural: -Fault and fracture identification -Rock texture, porosity, and stress analysis -determine dip, thickness, and geometry of rock strata in vicinity of...

  13. Gamma Log | Open Energy Information

    Open Energy Info (EERE)

    in mining, mineral exploration, water-well drilling, for formation evaluation in oil and gas well drilling and for other related purposes. Different types of rock emit different...

  14. Selectivity Control in Synergistic Liquid-Liquid Anion Exchange of Univalent Anions via Structure-Specific Cooperativity between Quaternary Ammonium Cations and Anion Receptors

    SciTech Connect (OSTI)

    Borman, Christopher J; Bonnesen, Peter V; Moyer, Bruce A

    2012-01-01

    Two anion receptors enhance liquid-liquid anion exchange when added to quaternary alkylammonium chloride anion exchangers, but with a striking dependence upon the structure of the alkylammonium cation. Two anion receptors were investigated, meso-octamethylcalix[4]pyrrole (C4P) and the bisthiourea tweezer 1,1'-(propane-1,3-diyl)bis(3-(4-sec-butylphenyl)thiourea (BTU). C4P has the unique ability in its cone anion-binding conformation to accept an appropriately sized electropositive species in the resulting cup formed by its four electron-rich pyrrole groups, while BTU is not expected to be predisposed for a specific host-guest interaction with the quaternary ammonium cations. It was therefore hypothesized that synergism between C4P and methyltri(C8,10)alkylammonium chloride (Aliquat 336) would be uniquely pronounced owing to insertion of the methyl group of the Aliquat cation into the C4P cup, and we present herein data supporting this expectation. While synergism is comparatively weak for both exchangers with the BTU receptor, synergism between C4P and Aliquat 336 is indeed so strong that anion exchange prefers chloride over more extractable nitrate and trifluoroacetate, effectively overcoming the ubiquitous Hofmeister bias. A thermochemical analysis of synergistic anion exchange has been provided for the first time, unraveling the observed selectivity behavior and resulting in the estimation of binding constants for C4P with the ion pairs of A336+ with Cl , Br , OAcF3 , NO3 , and I . The uniquely strong positive cooperativity between A336 and C4P underscores the advantage of a supramolecular approach in the design of synergistic anion exchange systems.

  15. Communication: Transfer ionization in a thermal reaction of a cation and anion: Ar{sup +} with Br{sup −} and I{sup −}

    SciTech Connect (OSTI)

    Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A.; Johnsen, Rainer

    2013-11-07

    We present experimental evidence that reactions of argon cations Ar{sup +} with the halogen anions Br{sup −} and I{sup −} do not occur exclusively by mutual neutralization, but also produce the cations Br{sup +} or I{sup +} ions by transfer ionization (TI). The experiments were carried out in flowing-afterglow plasmas at gas temperatures between and 300 and 500 K, and employed a variant of the Variable Electron and Neutral Density Attachment Mass Spectrometry method. The measured TI rate coefficients are 1.9 ± 0.6 × 10{sup −9} cm{sup 3} s{sup −1} and 1.1 ± {sub 0.3}{sup 0.8}× 10{sup −9} cm{sup 3} s{sup −1} for the Br{sup −} and I{sup −} reactions, respectively. We find that the TI rate coefficients decline with temperature as T{sup −0.5} to T{sup −1}. No indication of TI was found in the reaction with Cl{sup −}, where it is endoergic.

  16. Photoionization of cold gas phase coronene and its clusters: Autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation

    SciTech Connect (OSTI)

    Bréchignac, Philippe Falvo, Cyril; Parneix, Pascal; Pino, Thomas; Pirali, Olivier; Garcia, Gustavo A.; Nahon, Laurent; Joblin, Christine; Kokkin, Damian; Bonnamy, Anthony; Mulas, Giacomo

    2014-10-28

    Polycyclic aromatic hydrocarbons (PAHs) are key species encountered in a large variety of environments such as the Interstellar Medium (ISM) and in combustion media. Their UV spectroscopy and photodynamics in neutral and cationic forms are important to investigate in order to learn about their structure, formation mechanisms, and reactivity. Here, we report an experimental photoelectron-photoion coincidence study of a prototypical PAH molecule, coronene, and its small clusters, in a molecular beam using the vacuum ultraviolet (VUV) photons provided by the SOLEIL synchrotron facility. Mass-selected high resolution threshold photoelectron (TPES) and total ion yield spectra were obtained and analyzed in detail. Intense series of autoionizing resonances have been characterized as originating from the monomer, dimer, and trimer neutral species, which may be used as spectral fingerprints for their detection in the ISM by VUV absorption spectroscopy. Finally, a full description of the electronic structure of the monomer cation was made and discussed in detail in relation to previous spectroscopic optical absorption data. Tentative vibrational assignments in the near-threshold TPES spectrum of the monomer have been made with the support of a theoretical approach based on density functional theory.

  17. Fabrication, characterization and photocatalytic properties of Ag/AgI/BiOI heteronanostructures supported on rectorite via a cation-exchange method

    SciTech Connect (OSTI)

    Chen, Yunfang; Fang, Jianzhang; Lu, Shaoyou; Wu, Yan; Chen, Dazhi; Huang, Liyan; Xu, Weicheng; Zhu, Ximiao; Fang, Zhanqiang

    2015-04-15

    Highlights: • Ag/AgI/BiOI-rectorite was prepared by twice cation-exchange process. • Ag/AgI/BiOI-rectorite photocatalyst possessed SPR and adsorption capacity. • Ag/AgI/BiOI-rectorite exhibited highly photocatalytic activity. • Trapped holes and ·O{sub 2}{sup −} were formed active species in the photocatalytic system. - Abstract: In this work, a new plasmonic photocatalyst Ag/AgI/BiOI-rectorite was prepared via a cation exchange process. The photocatalyst had been characterized by X-ray powder diffraction (XRD), Raman spectra, nitrogen sorption (BET), field-emission scanning electron microscope (FE-SEM), X-ray photoelectron spectroscopy (XPS) and UV–vis diffuse reflectance spectroscopy (DRS). The photocatalytic activity, which was evaluated by degradation of rhodamine B (RhB) and bisphenol A (BPA) under visible light irradiation, was enhanced significantly by loading Ag/AgI/BiOI nanoparticles onto rectorite. The photogenerated holes and superoxide radical (·O{sub 2}{sup −}) were both formed as active species for the photocatalytic reactions under visible light irradiation. The existence of metallic Ag particles, which possess the surface plasmon resonance effect, acted as an indispensable role in the photocatalytic reaction.

  18. Warm white light emitting ThO{sub 2}:Sm{sup 3+} nanorods: Cationic surfactant assisted reverse micellar synthesis and Photoluminescence properties

    SciTech Connect (OSTI)

    Gupta, Santosh K.; Gupta, Ruma; Natarajan, V.; Godbole, S.V.

    2014-01-01

    Graphical abstract: - Highlights: • ThO{sub 2}:Sm{sup 3+} nanoparticles have been synthesized using cationic surfactant assisted reverse micellar route. • HRTEM shows the formation of thoria nanorods. • Photoluminescence investigation shows host as well as samarium ion emission. • Time resolved fluorescence spectroscopy shows the presence of two types of samarium ion in thoria host. - Abstract: Sm{sup 3+} activated thorium oxide nanorods were synthesized by cationic surfactant assisted reverse micellar route. Phase purity, morphological and luminescent properties were investigated by X-ray diffraction, high resolution transmission electron microscopy and photoluminescence spectroscopy. Upon UV light excitation (245 nm), ThO{sub 2}:Sm{sup 3+} exhibited host emission at 447 nm, along with characteristic emission lines of Sm{sup 3+} at 569, 609, 662 and 716 nm. Lifetime spectroscopy shows the presence of two types of Sm{sup 3+} (τ = 1.1 ms and 4.9 ms) with different asymmetric ratios.

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

    SciTech Connect (OSTI)

    Long, Run; English, Niall J.

    2011-04-04

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

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

    SciTech Connect (OSTI)

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

    2015-12-01

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

  1. Novel chemically stable Ba3Ca1.18Nb1.82-xYxO9- proton conductor: improved proton conductivity through tailored cation ordering

    SciTech Connect (OSTI)

    Wang, Siwei; Chen, Yan; Fang, Shumin; Zhang, Lingling; Tang, Ming; An, Ke; Brinkman, Dr. Kyle S.; Chen, Fanglin

    2014-01-01

    Simple perovskite-structured proton conductors encounter significant challenges to simultaneously achieving excellent chemical stability and proton conductivity that are desirable for many important applications in energy conversion and storage. This work demonstrates that Y-doped complex-perovskite-structured Ba3Ca1.18Nb1.82 xYxO9 materials possess both improved proton conductivity and exceptional chemical stability. Neutron powder diffraction refinement revealed a Fm3 m perovskite-structure and increased oxygen vacancy concentration due to the Y doping. High-resolution TEM analysis confirmed the perturbation of the B site cation ordering in the structure for the Ba3Ca1.18Nb1.82 xYxO9 materials. Such combined effects led to improved proton conductivity with a value of 5.3 10 3 S cm 1 at 600 C for Ba3Ca1.18Nb1.52Y0.3O9 (BCNY0.3), a value 2.4 times higher compared with that of the undoped Ba3Ca1.18Nb1.82O9 . The Ba3Ca1.18Nb1.82 xYxO9 materials showed remarkable chemical stability toward water and demonstrated no observable reactions to CO2 exposure. Ionic transport number studies showed that BCNY0.3 had predominantly proton conduction below 600 C. Solid oxide fuel cells using BCNY0.3 as an electrolyte demonstrated cell power output of 103 mW cm 2 at 750 C. These results suggest that a doping strategy that tailors the cation ordering in complex perovskites provides a new direction in the search for novel proton conducting ceramics.

  2. Improvements in geothermometry. Final technical report. Rev

    SciTech Connect (OSTI)

    Potter, J.; Dibble, W.; Parks, G.; Nur, A.

    1982-08-01

    Alkali and alkaline earth geothermometers are useful for estimating geothermal reservoir temperatures, though a general theoretical basis has yet to be established and experimental calibration needs improvement. Equilibrium cation exchange between feldspars provided the original basis for the Na-K and Na-K-Ca geothermometers (Fournier and Truesdell, 1973), but theoretical, field and experimental evidence prove that neither equilibrium nor feldspars are necessary. Here, evidence is summarized in support of these observations, concluding that these geothermometers can be expected to have a surprisingly wide range of applicability, but that the reasons behind such broad applicability are not yet understood. Early experimental work proved that water-rock interactions are slow at low temperatures, so experimental calibration at temperatures below 150/sup 0/ is impractical. Theoretical methods and field data were used instead for all work at low temperatures. Experimental methods were emphasized for temperatures above 150/sup 0/C, and the simplest possible solid and solution compositions were used to permit investigation of one process or question at a time. Unexpected results in experimental work prevented complete integration of the various portions of the investigation.

  3. Accurate reservoir evaluation from borehole imaging techniques and thin bed log analysis: Case studies in shaly sands and complex lithologies in Lower Eocene Sands, Block III, Lake Maracaibo, Venezuela

    SciTech Connect (OSTI)

    Coll, C.; Rondon, L.

    1996-08-01

    Computer-aided signal processing in combination with different types of quantitative log evaluation techniques is very useful for predicting reservoir quality in complex lithologies and will help to increase the confidence level to complete and produce a reservoir. The Lower Eocene Sands in Block III are one of the largest reservoirs in Block III and it has produced light oil since 1960. Analysis of Borehole Images shows the reservoir heterogeneity by the presence of massive sands with very few shale laminations and thinnly bedded sands with a lot of laminations. The effect of these shales is a low resistivity that has been interpreted in most of the cases as water bearing sands. A reduction of the porosity due to diagenetic processes has produced a high-resistivity behaviour. The presence of bed boundaries and shales is detected by the microconductivity curves of the Borehole Imaging Tools allowing the estimation of the percentage of shale on these sands. Interactive computer-aided analysis and various image processing techniques are used to aid in log interpretation for estimating formation properties. Integration between these results, core information and production data was used for evaluating producibility of the reservoirs and to predict reservoir quality. A new estimation of the net pay thickness using this new technique is presented with the consequent improvement on the expectation of additional recovery. This methodology was successfully applied in a case by case study showing consistency in the area.

  4. Scandium induced structural transformation and B?:B? cationic ordering in Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} multiferroic ceramics

    SciTech Connect (OSTI)

    Mallesham, B.; Ranjith, R.; Manivelraja, M.

    2014-07-21

    The current study explores non-magnetic Sc{sup 3+} induced structural transformation, evolution of local B-site cation ordering and associated effect on ferroelectric phase transition temperature T{sub max} (temperature corresponding to dielectric maxima) on increasing the atom percent of Sc substitution in [Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} (PFN)] ceramics. In this regard, the phase pure Pb[(Fe{sub 0.5?x}Sc{sub x})Nb{sub 0.5}]O{sub 3} ceramics with x varying from 0 to 0.5 were synthesized through solid state reaction route. The detailed structural analysis through Rietveld refinement confirms the room temperature transformation from a monoclinic Cm to rhombohedral R3m structure at x?=?0.3?mol.?% of Sc. Absorption spectra studies show that there is a considerable increment in the bandgap at higher scandium content. Most interestingly, the T{sub max} exhibited an increment for lower scandium contents (x?=?0.1 to 0.25) followed by a drop in T{sub max} (x?=?0.3 to 0.5). Such anomalous behavior in T{sub max} is expected to arise due to the onset of B?, B? local cation ordering beyond Sc content x?=?0.25. The B-site cation ordering at and beyond x?=?0.3 was also confirmed by the evolution of cation order induced Pb-O coupled vibrational mode in Raman scattering studies. In addition, the Mssbauer spectra of PFN (x?=?0) and Pb(Fe{sub 0.4}Sc{sub 0.1}Nb{sub 0.5})O{sub 3} (x?=?0.1) are reported to verify the spin state and oxidation state of iron. The lattice distortion due to the radius ratio difference between a Sc{sup 3+} cation and Fe{sup 3+} cation in low spin state is responsible for the structural transformation, which in turn facilitates a B?:B? cation ordering.

  5. Propane ammoxidation over the Mo-V-Te-Nb-O M1 phase: Reactivity of surface cations in hydrogen abstraction steps

    SciTech Connect (OSTI)

    Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2011-01-01

    Density functional theory calculations (GGA-PBE) have been performed to investigate the adsorption of C3 (propane, isopropyl, propene, and allyl) and H species on the proposed active center present in the surface ab planes of the bulk Mo-V-Te-Nb-O M1 phase in order to better understand the roles of the different surface cations in propane ammoxidation. Modified cluster models were employed to isolate the closely spaced V=O and Te=O from each other and to vary the oxidation state of the V cation. While propane and propene adsorb with nearly zero adsorption energy, the isopropyl and allyl radicals bind strongly to V=O and Te=O with adsorption energies, {Delta}E, being {le} -1.75 eV, but appreciably more weakly on other sites, such as Mo=O, bridging oxygen (Mo-O-V and Mo-O-Mo), and empty metal apical sites ({Delta}E > -1 eV). Atomic H binds more strongly to Te = O ({Delta}E {le} -3 eV) than to all the other sites, including V = O ({Delta}E = -2.59 eV). The reduction of surface oxo groups by dissociated H and their removal as water are thermodynamically favorable except when both H atoms are bonded to the same Te=O. Consistent with the strong binding of H, Te=O is markedly more active at abstracting the methylene H from propane (E{sub a} {le} 1.01 eV) than V = O (E{sub a} = 1.70 eV on V{sup 5+} = O and 2.13 eV on V{sup 4+} = O). The higher-than-observed activity and the loose binding of Te = O moieties to the mixed metal oxide lattice of M1 raise the question of whether active Te = O groups are in fact present in the surface ab planes of the M1 phase under propane ammoxidation conditions.

  6. Cation mixing, band offsets and electric fields at LaAlO3/SrTiO3(001) heterojunctions with variable La:Al atom ratio

    SciTech Connect (OSTI)

    Qiao, Liang; Droubay, Timothy C.; Kaspar, Tiffany C.; Sushko, P. V.; Chambers, Scott A.

    2011-08-01

    Interfacial intermixing and electronic structure were investigated at thin (35 unit cells.), epitaxial La1 ? xAl1 + xO3/SrTiO3(001) heterojunctions for x = 0 and 0.05. Angle-resolved X-ray photoelectron spectroscopy reveals rather extensive cation intermixing for all films, independent of composition. The valence band offset for the nominally stoichiometric (x = 0) film is 0.16 0.10 eV, with the valence band maximum of SrTiO3 being deeper in binding energy than that of LaAlO3. Similar values are obtained for x = 0.05. There is no measurable band bending in either the LaAlO3 or the SrTiO3 near the interface. These results are at odds with first principles theoretical predictions based on perfect stoichiometry and an abrupt interface model. However, inclusion of intermixing in the compositional description of the interface results in successful prediction of the valence band offset and absence of band bending.

  7. The impacts of cation stoichiometry and substrate surface quality on nucleation, structure, defect formation, and intermixing in complex oxide heteroepitaxy LaCrO3 on SrTiO3(001)

    SciTech Connect (OSTI)

    Qiao, Liang; Zhang, K. H. L; Bowden, Mark E; Varga, Tamas; Shutthanandan, Vaithiyalingam; Colby, Robert; Du, Yingge; Kabius, Bernd; Sushko, Peter V; Biegalski, Michael D; Chambers, S. A.

    2013-01-01

    Our ability to design and fabricate electronic devices with reproducible properties using complex oxides is critically dependent on our ability to controllably synthesize these materials in thin-film form. Structure-property relationships are intimately tied to film and interface composition Here we report on the effect of cation stoichiometry on structural quality and defect formation in LaCrO3 heteroepitaxial films prepared using molecular beam epitaxy. We calculate from first principles the regions of stability of various candidate defects as a function of Cr and O chemical potential, along with the predicted effects of these defects on structural parameters. We show that epitaxial LaCrO3 films readily nucleate and remain coherently strained on SrTiO3(001) over a wide range of La-to-Cr atom ratios, but that La-rich films are of considerably lower structural quality than stoichiometric and Cr-rich films. Cation imbalances are accompanied by anti-site defect formation, as deduced by comparing experimental trends in the c lattice parameter with those from first-principles calculations. Cation mixing occurs at the interface for all La-to-Cr ratios investigated, and is not quenched by deposition on SrTiO3(001) at ambient temperature. Indiffused La atoms occupy Sr sites, most likely facilitated by Sr vacancy formation in STO resulting from high-temperature oxygen annealing required to prepare the substrate. Intermixing is effectively quenched by using molecular beam epitaxy to deposit LaCrO3 at ambient temperature on defect free Si(001). However, analogous pulsed laser deposition on Si is accompanied by cation mixing.

  8. Nanoscale Phase Separation, Cation Ordering, and Surface Oxygen Chemistry in Pristine Li1.2Ni0.2Mn0.6O2 for Li-Ion Batteries

    SciTech Connect (OSTI)

    Gu, Meng; Genc, Arda; Belharouak, Ilias; Wang, Dapeng; Amine, Khalil; Thevuthasan, Suntharampillai; Baer, Donald R.; Zhang, Jiguang; Browning, Nigel D.; Liu, Jun; Wang, Chong M.

    2013-05-14

    Li-rich layered material Li1.2Ni0.2Mn0.6O2 possesses high voltage and high specific capacity, which makes it an attractive candidate for the transportation industry and sustainable energy storage systems. The rechargeable capacity of the Li-ion battery is linked largely to the structural stability of the cathode materials during the charge-discharge cycles. However, the structure and cation distribution in pristine (un-cycled) Li1.2Ni0.2Mn0.6O2 have not yet been fully characterized. Using a combination of aberration-corrected scanning/transmission electron microscopy, X-ray dispersive energy spectroscopy (XEDS), electron energy loss spectroscopy (EELS), and complementary multislice image simulation, we have probed the crystal structure, cation/anion distribution, and electronic structure of Li1.2Ni0.2Mn0.6O2 nanoparticle. We discovered that the electronic structure and valence state of transition metal ions show significant variations, which have been identified to be attributed to the oxygen deficiency near the particle surfaces. Characterization of the nanoscale phase separation and cation ordering in the pristine material are critical for understanding the capacity and voltage fading of this material for battery application.

  9. Magnetic moment directions and distributions of cations in Cr (Co) substituted spinel ferrites Ni{sub 0.7}Fe{sub 2.3}O{sub 4}

    SciTech Connect (OSTI)

    Xue, L. C.; Lang, L. L.; Li, Z. Z.; Qi, W. H.; Tang, G. D. Wu, L. Q.; Xu, J.

    2015-09-15

    Powder samples of the spinel ferrites M{sub x}Ni{sub 0.7−x}Fe{sub 2.3}O{sub 4} (M = Cr, Co and 0.0 ≤ x ≤ 0.3) and Cr{sub x}Ni{sub 0.7}Fe{sub 2.3−x}O{sub 4} (0.0 ≤ x ≤ 0.3) were synthesized using the chemical co-precipitation method. The XRD spectra confirmed that the samples had a single-phase cubic spinel structure. Magnetic measurements showed that the magnetic moments (μ{sub exp}) per formula both at 10 K and 300 K increased with Co substitution, while the values of μ{sub exp} decreased with Cr substitution. Applying the assumption that the magnetic moments of Cr{sup 2+} and Cr{sup 3+} lie antiparallel to those of the divalent and trivalent Fe, Co, and Ni cations in the same sublattice of spinel ferrites, these interesting behaviors could be easily interpreted. The cation distributions of the three series of samples were estimated successfully by fitting the dependences of μ{sub exp}, measured at 10 K, on the doping level x, using a quantum-mechanical potential barrier model earlier proposed by our group. The results obtained for the Cr cation distributions at the (A) and [B] sites are very close to those obtained elsewhere using neutron diffraction.

  10. inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    SciTech Connect (OSTI)

    Ridley, Mora K.; Hiemstra, T; Van Riemsdijk, Willem H.; Machesky, Michael L.

    2009-01-01

    Acid base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multicomponent mineral aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488 508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca2+ and Sr2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 110 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Pr edota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Be ne zeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile water interface: linking molecular and macroscopic

  11. Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

    SciTech Connect (OSTI)

    Pokorna, Sarka; Jurkiewicz, Piotr; Hof, Martin; Vazdar, Mario; Cwiklik, Lukasz; Jungwirth, Pavel

    2014-12-14

    Time-dependent fluorescence shift (TDFS) of Laurdan embedded in phospholipid bilayers reports on hydration and mobility of the phospholipid acylgroups. Exchange of H{sub 2}O with D{sub 2}O prolongs the lifetime of lipid-water and lipid-water-lipid interactions, which is reflected in a significantly slower TDFS kinetics. Combining TDFS measurements in H{sub 2}O and D{sub 2}O hydrated bilayers with atomistic molecular dynamics (MD) simulations provides a unique tool for characterization of the hydrogen bonding at the acylgroup level of lipid bilayers. In this work, we use this approach to study the influence of fluoride anions on the properties of cationic bilayers composed of trimethylammonium-propane (DOTAP). The results obtained for DOTAP are confronted with those for neutral phosphatidylcholine (DOPC) bilayers. Both in DOTAP and DOPC H{sub 2}O/D{sub 2}O exchange prolongs hydrogen-bonding lifetime and does not disturb bilayer structure. These results are confirmed by MD simulations. TDFS experiments show, however, that for DOTAP this effect is cancelled in the presence of fluoride ions. We interpret these results as evidence that strongly hydrated fluoride is able to steal water molecules that bridge lipid carbonyls. Consequently, when attracted to DOTAP bilayer, fluoride disrupts the local hydrogen-bonding network, and the differences in TDFS kinetics between H{sub 2}O and D{sub 2}O hydrated bilayers are no longer observed. A distinct behavior of fluoride is also evidenced by MD simulations, which show different lipid-ion binding for Cl{sup −} and F{sup −}.

  12. Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion

    SciTech Connect (OSTI)

    Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P.; Huq, Ashfia; Payzant, E. Andrew; Wood, David L.; Daniel, Claus

    2014-09-30

    Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li1.2Mn0.55Ni0.15Co0.1O2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxide occurs through a tetrahedral cation intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(LiLioct →LiLitet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [LiTM oct → LiLitet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [MnTMoct MnLitet MnLioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.

  13. High cation transport polymer electrolyte

    DOE Patents [OSTI]

    Gerald, II, Rex E.; Rathke, Jerome W.; Klingler, Robert J.

    2007-06-05

    A solid state ion conducting electrolyte and a battery incorporating same. The electrolyte includes a polymer matrix with an alkali metal salt dissolved therein, the salt having an anion with a long or branched chain having not less than 5 carbon or silicon atoms therein. The polymer is preferably a polyether and the salt anion is preferably an alkyl or silyl moiety of from 5 to about 150 carbon/silicon atoms.

  14. Four homochiral coordination polymers contain N-acetyl-L-tyrosine and different N-donor ligand: Influence of metal cations, ancillary ligands and coordination modes

    SciTech Connect (OSTI)

    Li, Meng-Li; Song, Hui-Hua

    2013-10-15

    Using the chiral ligand N-acetyl-L-tyrosine (Hacty) and maintaining identical reaction conditions, Zn(II), Co(II), and Cd(II) salts provided four novel homochiral coordination polymers ([Zn(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]NO{sub 3}2H{sub 2}O){sub n}1, ([Co(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]NO{sub 3}2H{sub 2}O){sub n}2, ([Cd(acty){sub 2}(bipy)H{sub 2}O]H{sub 2}O){sub n}3, and ([Cd(acty)(bpe){sub 2}(Ac)]6H{sub 2}O){sub n}4 (bipy=4,4?-bipyridine; bpe=1,2-di(4-pyridyl)ethane) in the presence of ancillary ligands. Compounds 1 and 2 are isostructural 1D chain structures. The neighboring chains are further linked into a 3D supramolecular structure via ??? stacking and hydrogen bond interactions. Compound 3 shows a 2D network and 4 generates 1D infinite chains along the c-axis. Compounds 3 and 4 are further connected into 3D supramolecular network by hydrogen bond interactions. More importantly, coordination in acyl oxygen atoms and ancillary ligands (bpe) as monodentate decorating ligands in 4 are rarely reported. Ancillary ligands and metal cations significantly influence the structure of the complexes. The photoluminescence properties of 1, 3, and 4 were studied at room temperature. Circular dichroism (CD) of the complexes have been investigated. - Graphical abstract: Four new homochiral coordination polymers were prepared and structurally characterized, which investigate the influence of the ancillary ligands and metal ions on the design and synthesis of coordination polymers. Display Omitted - Highlights: It is rarely reported that the chiral coordination polymers prepared with N-acetyl-L-tyrosine ligands. The alkalescent acetyl oxygen atom is difficult to participate in coordination but it is happened in the N-acetyl-L-tyrosine ligands. The ancillary ligands (4,4?-bipy and bpe) are present in an unusual coordination modes, monodentate decorating ligands in 1, 2 and 4. Structure comparative analyses results indicate that the secondary ligands and

  15. Pressure Temperature Log | Open Energy Information

    Open Energy Info (EERE)

    to reach equilibrium with the surrounding formation is going to provide the most accurate reservoir temperature (Blackwell, et al., 2010). Potential Pitfalls Fluids are being...

  16. Aerosol Behavior Log-Normal Distribution Model.

    Energy Science and Technology Software Center (OSTI)

    2001-10-22

    HAARM3, an acronym for Heterogeneous Aerosol Agglomeration Revised Model 3, is the third program in the HAARM series developed to predict the time-dependent behavior of radioactive aerosols under postulated LMFBR accident conditions. HAARM3 was developed to include mechanisms of aerosol growth and removal which had not been accounted for in the earlier models. In addition, experimental measurements obtained on sodium oxide aerosols have been incorporated in the code. As in HAARM2, containment gas temperature, pressure,more » and temperature gradients normal to interior surfaces are permitted to vary with time. The effects of reduced density on sodium oxide agglomerate behavior and of nonspherical shape of particles on aerosol behavior mechanisms are taken into account, and aerosol agglomeration due to turbulent air motion is considered. Also included is a capability to calculate aerosol concentration attenuation factors and to restart problems requiring long computing times.« less

  17. Connect & Log In | Argonne Leadership Computing Facility

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

    Below is an example of the login steps (via ssh command) to the BGQ Mira system: ssh mira.alcf.anl.gov ---...

  18. Electronic and Electrochemical Properties of Li 1–x Mn 1.5 Ni 0.5 O 4 Spinel Cathodes As a Function of Lithium Content and Cation Ordering

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

    Moorhead-Rosenberg, Zach; Huq, Ashfia; Goodenough, John B.; Manthiram, Arumugam

    2015-10-05

    The electronic and electrochemical properties of the high-voltage spinel LiMn1.5Ni0.5O4 as a function of cation ordering and lithium content have been investigated. Conductivity and activation energy measurements confirm that charge transfer occurs by small polaron hopping and the charge carrier conduction is easier in the Ni:3d band than in the in Mn:3d band. Seebeck coefficient data reveal that the Ni2+/3+. and Ni3+/4+ redox couples are combined in a single,3d band, and that maximum charge carrier concentration occurs where the average Ni oxidation state is close to 3+, corresponding to x = 0.5 in Li Li1-xMn1.5Ni0.5O4. Furthermore, maximum electronic conductivity ismore » found at x = 0.5, regardless of cation ordering. The thermodynamically stable phases formed during cycling were investigated by recording the X-ray diffraction (XRD) of chemically delithiated powders. The more ordered spinels maintained two separate two-phase regions upon lithium extraction, while the more disordered samples exhibited a solid-solubility region from LiMn1.5Ni0.5O4 to Li0.5Mn1.5Ni0.5O4. The conductivity and phase-transformation data of four samples with varying degrees of cation ordering were compared to the electrochemical data collected with lithium cells. Only the most ordered spinel showed inferior rate performance, while the sample annealed for a shorter time performed comparable to the unannealed or disordered samples. Our results challenge the most common beliefs about high-voltage spinel: (i) low Mn3+ content is responsible for poor rate performance and (ii) thermodynamically stable solid-solubility is critical for fast kinetics.« less

  19. Cation disorder and phase transitions in the four-layer ferroelectric Aurivillius phases ABi{sub 4}Ti{sub 4}O{sub 15} (A=Ca, Sr, Ba, Pb)

    SciTech Connect (OSTI)

    Kennedy, Brendan J. Zhou Qingdi; Ismunandar; Kubota, Yoshika; Kato, Kenichi

    2008-06-15

    Crystal structures of a series of bi-layered compounds ABi{sub 4}Ti{sub 4}O{sub 15} (A=Ca, Sr, Ba, Pb) have been investigated using a combination of synchrotron X-ray and neutron powder diffraction data. All four oxides adopt an orthorhombic structure at room temperature and the structures have been refined in space group A2{sub 1}am. This orthorhombic structure is a consequence of a combination of rotation of the TiO{sub 6}, resulting from the less than optimal size of the A-type cation, and displacement of the Ti atoms towards the Bi{sub 2}O{sub 2} layers. There is partial disorder of the Bi and A-type cations over two of the three available sites, which increases in the order Ca

  20. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

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

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles methodmore » can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.« less

  1. The Impacts of Cation Stoichiometry and Substrate Surface Quality on Nucleation, Structure, Defect Formation, and Intermixing in Complex Oxide HeteroepitaxyLaCrO3 on SrTiO3(001)

    SciTech Connect (OSTI)

    Qiao, Liang; Zhang, Hongliang; Bowden, Mark E.; Varga, Tamas; Shutthanandan, V.; Colby, Robert J.; Du, Yingge; Kabius, Bernd C.; Sushko, P. V.; Biegalski, Michael D.; Chambers, Scott A.

    2013-06-20

    Our ability to design and fabricate electronic devices with reproducible properties using complex oxides is critically dependent on our ability to controllably synthesize these materials in thin-film form. Structure-property relationships are intimately tied to film and interface composition. Here we report on the effects of cation stoichiometry in LaCrO3 heteroepitaxial films prepared using molecular beam epitaxy. We show that LaCrO3 films grow pseudomorphically on SrTiO3(001) over an wide range of La-to-Cr atom ratios. However, the growth mode and structural quality are sensitive to the La-to-Cr ratio, with La-rich films being of considerably lower structural quality than Cr-rich films. Cation mixing occurs at the interface for all La-to-Cr ratios investigated, and is not quenched by deposition at ambient temperature. Indiffused La atoms occupy Sr sites in the substrate. The presence of defects in the SrTiO3 substrate is implicated in promoting La indiffusion by comparing the properties of LaCrO3/SrTiO3 with those of LaCrO3/Si, both prepared at ambient temperature. Additionally, pulsed laser deposition is shown to result in more extensive interfacial mixing than molecular beam epitaxy for deposition at ambient temperature on Si.

  2. Understanding chemical reactions of CO{sub 2} and its isoelectronic molecules with 1-butyl-3-methylimidazolium acetate by changing the nature of the cation: The case of CS{sub 2} in 1-butyl-1-methylpyrrolidinium acetate studied by NMR spectroscopy and density functional theory calculations

    SciTech Connect (OSTI)

    Cabao, M. Isabel, E-mail: isabelcabaco@ist.utl.pt [Departamento de Fsica, Instituto Superior Tcnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Fsica Atmica da UL, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Besnard, Marcel; Danten, Yann [GSM Institut des Sciences Molculaires, CNRS (UMR 5255), Universit de Bordeaux, 351, Cours de la Libration 33405 Talence Cedex (France); Chvez, Fabin Vaca [Centro de Fsica da Matria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Pinaud, Nol [CESAMO Institut des Sciences Molculaires, CNRS (UMR 5255), Universit de Bordeaux, 351, Cours de la Libration 33405 Talence Cedex (France); Sebastio, Pedro J. [Departamento de Fsica, Instituto Superior Tcnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Fsica da Matria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Coutinho, Joo A. P. [CICECO, Departamento de Qumica, Universidade de Aveiro 3810-193 Aveiro (Portugal)

    2014-06-28

    NMR spectroscopy ({sup 1}H, {sup 13}C, {sup 15}N) shows that carbon disulfide reacts spontaneously with 1-butyl-1-methylpyrrolidinium acetate ([BmPyrro][Ac]) in the liquid phase. It is found that the acetate anions play an important role in conditioning chemical reactions with CS{sub 2} leading, via coupled complex reactions, to the degradation of this molecule to form thioacetate anion (CH{sub 3}COS{sup ?}), CO{sub 2}, OCS, and trithiocarbonate (CS{sub 3}{sup 2?}). In marked contrast, the cation does not lead to the formation of any adducts allowing to conclude that, at most, its role consists in assisting indirectly these reactions. The choice of the [BmPyrro]{sup +} cation in the present study allows disentangling the role of the anion and the cation in the reactions. As a consequence, the ensemble of results already reported on CS{sub 2}-[Bmim][Ac] (1), OCS-[Bmim][Ac] (2), and CO{sub 2}-[Bmim][Ac] (3) systems can be consistently rationalized. It is argued that in system (1) both anion and cation play a role. The CS{sub 2} reacts with the acetate anion leading to the formation of CH{sub 3}COS{sup ?}, CO{sub 2}, and OCS. After these reactions have proceeded the nascent CO{sub 2} and OCS interact with the cation to form imidazolium-carboxylate ([Bmim] CO{sub 2}) and imidazolium-thiocarboxylate ([Bmim] COS). The same scenario also applies to system (2). In contrast, in the CO{sub 2}-[Bmim] [Ac] system a concerted cooperative process between the cation, the anion, and the CO{sub 2} molecule takes place. A carbene issued from the cation reacts to form the [Bmim] CO{sub 2}, whereas the proton released by the ring interacts with the anion to produce acetic acid. In all these systems, the formation of adduct resulting from the reaction between the solute molecule and the carbene species originating from the cation is expected. However, this species was only observed in systems (2) and (3). The absence of such an adduct in system (1) has been theoretically investigated

  3. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    (2) electrons (2) elements (2) geothermal energy (2) geothermometers (2) ... are useful for estimating geothermal reservoir temperatures, though a ...

  4. Property:HydroInfo | Open Energy Information

    Open Energy Info (EERE)

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

  5. Dating thermal events at Cerro Prieto using fission-track annealing

    SciTech Connect (OSTI)

    Sanford, S.J.; Elders, W.A.

    1981-01-01

    The duration of heating in the Cerro Prieto reservoir was estimated by relating the fading of spontaneous fission tracks in detrital apatite to observed temperatures. The rate of fading is a function of both time and temperature. The apparent fission track age of the detrital apatites then, is a function of both their source age and their time-temperature history. Data from laboratory experiments and geologic fading studies were compiled from published sources to produce lines of iso-annealing for apatite in time-temperature space. Fission track ages were calculated for samples from two wells at Cerro Prieto, one with an apparently simple and one with an apparently complex thermal history. Temperatures were estimated by empirical vitrinite reflectance geothermometry, fluid inclusion homogenization and oxygen isotope equilibrium. These estimates were compared with logs of measured borehole temperatures. The temperature in well T-366, where complete annealing first occurs, was estimated to be between 160 and 180{sup 0}C. Complete annealing at these temperatures requires 10{sup 4} and 10{sup 3} years, respectively. Well M-94 has an apparently complex thermal history. Geothermometers in this well indicate temperatures some 50 to 100{sup 0}C higher than those measured directly in the borehole. Fission tracks are partially preserved in M-94 where paleotemperatures were as high as 200{sup 0}C and are erased where geothermometers indicate temperatures of 250{sup 0}C. This implies a thermal event less than 10{sup 1} years and greater than 10{sup 0} years in duration.

  6. Electrochemical characterization of B-site cation-excess Pr2Ni0.75Cu0.25Ga0.05O4+δ cathode for IT-SOFCs

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

    Meng, Xiangwei; Lü, Shiquan; Liu, Shouxiu; Liu, Xiaoyan; Sui, Yingrui; Li, Xiuyan; Pang, Mingjun; Wang, Biao; Ji, Yuan; Hu, Michael Z.

    2015-06-15

    In this paper, the B-site cation-excess K2NiF4-type structure oxide, Pr2Ni0.75Cu0.25Ga0.05O4+δ (PNCG) is investigated as a cathode for intermediate-temperature solid oxide fuel cells (IT-SOFCs). XRD result shows that PNCG cathode is chemically compatible with the electrolyte Gd0.1Ce0.9O2-δ (GDC) at 900 °C for 5 h. The PNCG material exhibits a semiconductor to metal transition around 425 °C. The thermal expansion coefficient (TEC) of the PNCG sample is 12.72×10-6 K-1 between 30 and 850 °C in air. The polarization resistance (Rp) of PNCG cathode on GDC electrolyte is 0.105, 0.197 and 0.300 Ω cm2 at 800, 750, 700 °C, respectively. A maximum powermore » density of 371 mW cm-2 is obtained at 800 °C for single-cell with 300 μm thick GDC electrolyte and PNCG cathode. Finally, the results of this study demonstrate that PNCG can be a promising cathode material for IT-SOFCs.« less

  7. Electrochemically influenced cation inter-diffusion and Co3O4 formation on La0.6Sr0.4CoO3 infiltrated into SOFC cathodes

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

    Song, Xueyan; Lee, Shiwoo; Chen, Yun; Gerdes, Kirk

    2015-06-18

    Nanosized LSC electrocatalyst was infiltrated into a porous scaffold cathode composed of Sm2O3-doped CeO2 (SDC) and La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF) in a commercial button solid oxide fuel cell (SOFC). To understand the stability of cathodes infiltrated with LSC, the infiltrated composite cells were subjected to both electrochemical operating and thermal aging states at 750 °C for 1500 h. Nanostructure and local chemistry evolution of La0.6Sr0.4CoO3 (LSC) infiltrated cathodes upon operation and aging were investigated by transmission electron microscopy. After operation, the LSC remained a cubic perovskite, and the crystal grains exhibit comparable size to as-infiltrated LSC grains. Inter-diffusion of Fe from themore » LSCF to a Fe-incorporated LSC layer developed on the LSCF backbone. However, only sharp interfaces were observed between LSC and SDC backbone in the as-infiltrated cathode and such interfaces remain after operation. The infiltrated LSC on the SDC backbone also retains granular particle morphology. Furthermore, newly grown Co3O4 nanocrystals were found in the operated cathode. After thermal aging, on the other hand, cation inter-diffusion across the interfaces of the infiltrate particles and the cathode backbones is less than that from the operated cells. Lastly, the following hypothesis is proposed: Co3O4 forms on LSC arising from local charge balancing between cobalt and oxygen vacancies.« less

  8. Mutual neutralization of atomic rare-gas cations (Ne{sup +}, Ar{sup +}, Kr{sup +}, Xe{sup +}) with atomic halide anions (Cl{sup −}, Br{sup −}, I{sup −})

    SciTech Connect (OSTI)

    Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A.; Johnsen, Rainer

    2014-01-28

    We report thermal rate coefficients for 12 reactions of rare gas cations (Ne{sup +}, Ar{sup +}, Kr{sup +}, Xe{sup +}) with halide anions (Cl{sup −}, Br{sup −}, I{sup −}), comprising both mutual neutralization (MN) and transfer ionization. No rate coefficients have been previously reported for these reactions; however, the development of the Variable Electron and Neutral Density Attachment Mass Spectrometry technique makes it possible to measure the difference of the rate coefficients for pairs of parallel reactions in a Flowing Afterglow-Langmuir Probe apparatus. Measurements of 18 such combinations of competing reaction pairs yield an over-determined data set from which a consistent set of rate coefficients of the 12 MN reactions can be deduced. Unlike rate coefficients of MN reactions involving at least one polyatomic ion, which vary by at most a factor of ∼3, those of the atom-atom reactions vary by at least a factor 60 depending on the species. It is found that the rate coefficients involving light rare-gas ions are larger than those for the heavier rare-gas ions, but the opposite trend is observed in the progression from Cl{sup −} to I{sup −}. The largest rate coefficient is 6.5 × 10{sup −8} cm{sup 3} s{sup −1} for Ne{sup +} with I{sup −}. Rate coefficients for Ar{sup +}, Kr{sup +}, and Xe{sup +} reacting with Br{sub 2}{sup −} are also reported.

  9. Cationic phospholipids: structure transfection activity relationships...

    Office of Scientific and Technical Information (OSTI)

    lipids, they form stable complexes (lipoplexes) with the polyanionic nucleic acids. ... MIXTURES; MOLECULAR STRUCTURE; NUCLEIC ACIDS; PHOSPHATES; PHOSPHOLIPIDS Word ...

  10. Cationic Phospholipids Forming Cubic Phases: Lipoplex Structure...

    Office of Scientific and Technical Information (OSTI)

    phase state is a factor that does not seem to correlate with transfection activity. ... our previous studies is that the critical factor in lipid-mediated transfection is the ...

  11. Opposite correlations between cation disordering and amorphization...

    Office of Scientific and Technical Information (OSTI)

    Authors: Uberuaga, Blas Pedro 1 ; Tang, Ming 1 ; Jiang, Chao 2 ; Valdez, James A. 1 ; Smith, Roger 3 ; Wang, Yongqiang 1 ; Sickafus, Kurt E. 4 + Show Author ...

  12. Cationic phospholipids: structure transfection activity relationships...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: USDOE Country of Publication: United States Language: ENGLISH Subject: 59 ... LIPIDS; MEMBRANES; MIXTURES; MOLECULAR STRUCTURE; NUCLEIC ACIDS; PHOSPHATES; ...

  13. RECOVERY OF TETRAVALENT CATIONS FROM AQUEOUS SOLUTIONS

    DOE Patents [OSTI]

    Moore, R.L.

    1958-05-01

    The recovery of plutonium, zirconium, and tetravalent cerium values from aqueous solutions is described. It consists of adding an alkyl phosphate to a nnineral acid aqueous solution containing the metal to be recovered, whereby a precipitate forms with the tetravalent values, and separating the precipitate from the solution. All alkyl phosphates, if water-soluble, are suitable for the process; however, monobutyl phosphate has been found best.

  14. Multicomponent Equilibrium Models for Testing Geothermometry Approaches

    SciTech Connect (OSTI)

    Cooper, D. Craig; Palmer, Carl D.; Smith, Robert W.; McLing, Travis L.

    2013-02-01

    Geothermometry is an important tool for estimating deep reservoir temperature from the geochemical composition of shallower and cooler waters. The underlying assumption of geothermometry is that the waters collected from shallow wells and seeps maintain a chemical signature that reflects equilibrium in the deeper reservoir. Many of the geothermometers used in practice are based on correlation between water temperatures and composition or using thermodynamic calculations based a subset (typically silica, cations or cation ratios) of the dissolved constituents. An alternative approach is to use complete water compositions and equilibrium geochemical modeling to calculate the degree of disequilibrium (saturation index) for large number of potential reservoir minerals as a function of temperature. We have constructed several “forward” geochemical models using The Geochemist’s Workbench to simulate the change in chemical composition of reservoir fluids as they migrate toward the surface. These models explicitly account for the formation (mass and composition) of a steam phase and equilibrium partitioning of volatile components (e.g., CO2, H2S, and H2) into the steam as a result of pressure decreases associated with upward fluid migration from depth. We use the synthetic data generated from these simulations to determine the advantages and limitations of various geothermometry and optimization approaches for estimating the likely conditions (e.g., temperature, pCO2) to which the water was exposed in the deep subsurface. We demonstrate the magnitude of errors that can result from boiling, loss of volatiles, and analytical error from sampling and instrumental analysis. The estimated reservoir temperatures for these scenarios are also compared to conventional geothermometers. These results can help improve estimation of geothermal resource temperature during exploration and early development.

  15. Abbreviated Total-Count Logging Procedures for Use in Remedial...

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

    More Documents & Publications Field Calibration Facilities for Environmental Measurement of Radium, Thorium, and Potassium (October 2013) Gamma Survey of a Permeable Reactive ...

  16. Pressure Temperature Log At Steamboat Springs Area (Combs, Et...

    Open Energy Info (EERE)

    normal test. If this effect is not compensated, heating the electronics will cause the signal output to drift, giving unreliable data. A properly cahbrated tool accounts for the...

  17. Resistivity Log At Valles Caldera - Sulphur Springs Geothermal...

    Open Energy Info (EERE)

    presents a good target for surface geophysical prospecting. References Michael Wilt, Stephen Vonder Haar (1986) A Geological And Geophysical Appraisal Of The Baca Geothermal...

  18. Pressure Temperature Log At Chena Geothermal Area (Holdmann,...

    Open Energy Info (EERE)

    during the GRED III Phase I exploration program. References Gwen Holdmann, Dick Benoit, David Blackwell (2006) Integrated Geoscience Investigation and Geothermal Exploration at...

  19. Pressure Temperature Log At Valles Caldera - Redondo Geothermal...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  20. Neutron Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  1. Caliper Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  2. Gamma Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  3. Resistivity Log At Valles Caldera - Redondo Geothermal Area ...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  4. Acoustic Logs At Steamboat Springs Area (Combs, Et Al., 1999...

    Open Energy Info (EERE)

    acoustic borehole televiewer (BHTV) yielded wellbore images down to 520';and a Sandia memory tool gave pressuretemperature data for a shut-in test at the end of the project....

  5. d+d Fusions with Log-normal Model

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

    MacKenzie Warrens 1 Cryo-cooled gas mixture of D 2 + 3 He was released from the gas jet 90-180J pulse from the Texas Pettawatt Laser irradiated the D 2 clusters Coulomb...

  6. Electric Micro Imager Log At Coso Geothermal Area (2003) | Open...

    Open Energy Info (EERE)

    be corrected for well-bore deviation. References Rose, P.; Barton, C.; McCulloch, J.; Moore, J.N.; Kovac, K.; Sheridan, J.; Spielman, P.; Berard, B. (1 January 2003) The Coso EGS...

  7. Descriptive logs, skeletonized samples, and photographs of core...

    Open Energy Info (EERE)

    skeletonized samples, and photographs of core from Presco Energy's thermal gradient wells P3-1, P10-1, and P32-2 in the Rye Patch area, Pershing County, Nevada Jump to:...

  8. New and Improved Data Logging and Collection System for Atmospheric...

    Office of Scientific and Technical Information (OSTI)

    for Atmospheric Radiation Measurement Climate Research Facility, Tropical Western ... for Atmospheric Radiation Measurement Climate Research Facility, Tropical Western ...

  9. Resistivity Log At Long Valley Caldera Geothermal Area (Nordquist...

    Open Energy Info (EERE)

    Volcanic Complex: A Preliminary Magnetotelluric and Magnetic Variation Interpretation Philip E. Wannamaker, P.M. Wright, Zhou Zi-xing, Li Xing-bin, Zhao Jing-xiang (1991)...

  10. Acoustic Logs At Newberry Caldera Area (Combs, Et Al., 1999)...

    Open Energy Info (EERE)

    more improvements DOE-funding Unknown Notes The acoustic borehole televiewer (BHTV) was run twice in the wellbore with limited success. There were several problems with the tool's...

  11. DOE International Energy Storage Database Has Logged 420 Energy...

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

    ... Berkeley, California, USA, (October 21, 2013) - PRNewswire-USNewswire - The following ... public proceedings including the California Public Utilities Commission's (CPUC's) ...

  12. Moab Project Safely Logs 2 Million Work Hours | Department of...

    Energy Savers [EERE]

    Donald Metzler, Moab Federal Project Director, (970) 257-2115 Wendee Ryan, S&K Aerospace Public Affairs Manager, (970) 257-2145 (Grand Junction, CO) - The number 1,584 may not mean ...

  13. The Transport of Gmelina Logs on the Rio Dulce

    SciTech Connect (OSTI)

    Ensminger, J.T.; Martines, R.; Perlack, B.; Ranney, J.

    1997-02-01

    The Rio Dulce National Park is one of Guatemala's major environmental assets. The park contains the remaining remnants of an eastern Guatemalan tropical rainforest which has good but fast deteriorating value for the development of the ecotourism industry. The governmenial objective for the region as stated in the Master Plan for the park is ecotourism development and protection of biodiversity. The decisions to be made concerning the long-term, sustainable use of the natural resources of the Rio Dulce region appear to be directed by existing environmental laws and the Rio Dulce Master Plan. However, the wording of these instruments is ambiguous and lacks specific definitions and criteria for making necessary determinations. This, in combination with lack of enforcement in the region, has led to extensive disparity in interpretation of the laws and uncontrolled, conflicting actions by individuals and organizations.

  14. Templates and Examples — Statistics and Search Log Analysis

    Office of Energy Efficiency and Renewable Energy (EERE)

    Here you will find custom templates and EERE-specific examples you can use to plan, conduct, and report on your usability and analysis activities. These templates are examples of forms you might use, but you are not required to use them for EERE products.

  15. Pressure Temperature Log At Roosevelt Hot Springs Geothermal...

    Open Energy Info (EERE)

    Unknown Exploration Basis Faulder 1991 Conceptual Geological Model compilation and literature review of the Roosevelt Hot Springs Geothermal Area. Notes Pre-exploitation...

  16. Chicago Office Manager's Signature Log Privacy Impact Assessment

    Energy Savers [EERE]

    9. Nuclear Waste Fund 19-1 CHAPTER 19 NUCLEAR WASTE FUND 1. INTRODUCTION. a. Purpose. This chapter establishes the financial, accounting, and budget policies and procedures for civilian and defense nuclear waste activities, as authorized in Public Law 97-425, the Nuclear Waste Policy Act, as amended, referred to hereafter as the Act. b. Applicability. This chapter applies to all Departmental elements, including the National Nuclear Security Administration, and activities that are funded by the

  17. Gamma Log At Lightning Dock Geothermal Area (Witcher, 2006) ...

    Open Energy Info (EERE)

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

  18. Cross-Dipole Acoustic Log | Open Energy Information

    Open Energy Info (EERE)

    Sonic Imager Internet. 2013. cited 20131010. Available from: http:www.slb.comservicescharacterizationgeomechanicswirelinedipoleshearsonicimager.aspx ...

  19. Uniduto Log stica S A UNIDUTO | Open Energy Information

    Open Energy Info (EERE)

    the development, construction and operation of an ethanol pipeline network linking the port terminal on the coast of Sao Paulo state and the city of Paulinia. References: Uniduto...

  20. Microhole Smart Steering and Logging While Drilling System

    SciTech Connect (OSTI)

    John Macpherson; Mathias Moeller; Thomas Gregg; Roland Chemali

    2006-06-30

    A background to Coiled Tubing Bottom Hole Assemblies (CT-BHA) is given, and the development of a resistivity measurement component, and a rib-steering motor component, is described. The successful operation of these components in both the laboratory and field environment is described. The primary conclusion of this development is that both components operate as anticipated within the CT-BHA, and significantly extend the possibility of drilling with coiled tubing in the microhole environment.