National Library of Energy BETA

Sample records for neat methanol flex

  1. FlexEnergy

    Broader source: Energy.gov [DOE]

    Presentation—given at the Fall 2011 Federal Utility Partnership Working Group (FUPWG) meeting—provides a company overview of FlexEnergy, Inc.

  2. Indiana Flex Fuels LLC | Open Energy Information

    Open Energy Info (EERE)

    Name: Indiana Flex Fuels LLC Place: LaPorte, Indiana Zip: 46350 Product: Indiana Flex Fuels is composed of four investors that are starting a 5m gallon (18.9m litre) per year...

  3. Global Flex Group Inc | Open Energy Information

    Open Energy Info (EERE)

    search Name: Global-Flex Group Inc. Place: Temple, Texas Zip: 76501 Product: Texas based trade and financial solutions company consisting of three operating divisions....

  4. Flex Schedule | GE Global Research

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

    Working Outside the Box Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Flex Ability: Working Outside the Box GE employee Rebecca Boll shares her thoughts around flexibility in the workplace. Rebecca says that she's found that "People who work in a flexible manner, actually produce more for the company than people

  5. DOE-Flex Bulletin-Worker Injury While on a DOE-Flex Arrangement

    Office of Environmental Management (EM)

    Flex Bulletin The information contained in this Bulletin is intended for DOE-Flex Advisors and Coordinators in responding to questions. The information supplements the guidance in the Handbook on DOE- Flex and will be incorporated in the handbook in the near future, at which fime this Builetin wil! expire and be removed from the DOE-Flex web site No. 2 May 2000 Subject: Worker In~jury While on a DOE-Flex Arrangement This Bulletin responds to questions that have surfaced regarding DOE'S liability

  6. Vehicle Certification Test Fuel and Ethanol Flex Fuel Quality...

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

    Vehicle Certification Test Fuel and Ethanol Flex Fuel Quality Vehicle Certification Test Fuel and Ethanol Flex Fuel Quality Breakout Session 2: Frontiers and Horizons Session 2-B:...

  7. Flex power perspectives of indirect power system control through...

    Open Energy Info (EERE)

    Flex power perspectives of indirect power system control through dynamic power price (Smart Grid Project) Jump to: navigation, search Project Name Flex power perspectives of...

  8. DOE-Flex Bulletin-Worker Injury While on a DOE-Flex Arrangement...

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

    Bulletin-Worker Injury While on a DOE-Flex Arrangement Responsible Contacts Bruce Murray HR Policy Advisor E-mail bruce.murray@hq.doe.gov Phone 202-586-3372 More Documents &...

  9. Flex Fuel Vehicle Systems | Department of Energy

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

    Vehicle Systems Flex Fuel Vehicle Systems 2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. PDF icon ft_13_yilmaz.pdf More Documents & Publications Advanced Combustion Concepts - Enabling Systems and Solutions (ACCESS) for High Efficiency Light Duty Vehicles Advanced Combustion Concepts - Enabling Systems and Solutions (ACCESS) for High Efficiency Light Duty Vehicles Vehicle Technologies Office Merit

  10. Deployment of FlexCHP System

    SciTech Connect (OSTI)

    Cygan, David

    2015-11-01

    The Gas Technology Institute (GTI), along with its partner Integrated CHP Systems Corporation, has developed and demonstrated an Ultra-Low-Nitrogen Oxide (ULN) Flexible Combined Heat and Power (FlexCHP) system that packages a state-of-the-art Capstone C65 gas microturbine and Johnston PFXX100 boiler with an innovative natural gas-fired supplemental burner. Supplemental burners add heat as needed in response to facility demand, which increases energy efficiency, but typically raises exhaust NOx levels, degrading local air quality unless a costly and complicated catalytic treatment system is added. The FlexCHP system increases energy efficiency and achieves the 2007 California Air Resource Board (CARB) distributed generation emissions standards for Nitrogen oxides (NOx), Carbon Monoxide (CO), and Total Hydrocarbons (THC) without catalytic exhaust gas treatment. The key to this breakthrough performance is a simple and reliable burner design which utilizes staged combustion with engineered internal recirculation. This ULN burner system successfully uses turbine exhaust as an oxidizer, while achieving high efficiencies and low emissions. In tests at its laboratory facilities in Des Plaines, Illinois, GTI validated the ability of the system to achieve emissions of NOx, CO, and THC below the CARB criteria of 0.07, 0.10, and 0.02 lb/MW-h respectively. The FlexCHP system was installed at the field demonstration site, Inland Empire Foods, in Riverside, California to verify performance of the technology in an applied environment. The resulting Combined Heat and Power (CHP) package promises to make CHP implementation more attractive, mitigate greenhouse gas emissions, and improve the reliability of electricity supply.

  11. Haem Recognition By a Staphylococcus Aureus NEAT Domain

    SciTech Connect (OSTI)

    Grigg, J.C.; Vermeiren, C.; Heinrichs, D.E.; Murphy, M.E.P.

    2009-06-01

    Successful pathogenic organisms have developed mechanisms to thrive under extreme levels of iron restriction. Haem-iron represents the largest iron reservoir in the human body and is a significant source of iron for some bacterial pathogens. NEAT (NEAr Transporter) domains are found exclusively in a family of cell surface proteins in Gram-positive bacteria. Many NEAT domain-containing proteins, including IsdA in Staphylococcus aureus, are implicated in haem binding. Here, we show that overexpression of IsdA in S. aureus enhances growth and an inactivation mutant of IsdA has a growth defect, compared with wild type, when grown in media containing haem as the sole iron source. Furthermore, the haem-binding property of IsdA is contained within the NEAT domain. Crystal structures of the apo-IsdA NEAT domain and in complex with haem were solved and reveal a clathrin adapter-like beta-sandwich fold with a large hydrophobic haem-binding pocket. Haem is bound with the propionate groups directed at the molecular surface and the iron is co-ordinated solely by Tyr(166). The phenol groups of Tyr(166) and Tyr(170) form an H-bond that may function in regulating haem binding and release. An analysis of IsdA structure-sequence alignments indicate that conservation of Tyr(166) is a predictor of haem binding by NEAT domains.

  12. U-050: Adobe Flex SDK Input Validation Flaw Permits Cross-Site Scripting Attacks

    Broader source: Energy.gov [DOE]

    Flex applications created using the Flex SDK may not properly filter HTML code from user-supplied input before displaying the input.

  13. Energy Upgrade California in Los Angeles County-- The Flex Path Program

    Broader source: Energy.gov [DOE]

    Energy Upgrade California in Los Angeles County: The Flex Path Program. Provides an overview of the Flex Path Pilot Program, progress and next steps.

  14. Methanol | Open Energy Information

    Open Energy Info (EERE)

    Methanol Jump to: navigation, search TODO: Add description List of Methanol Incentives Retrieved from "http:en.openei.orgwindex.php?titleMethanol&oldid267176" Feedback...

  15. National Energy Audit (NEAT) Users Manual Version 7

    SciTech Connect (OSTI)

    Gettings, M.

    2001-05-10

    Welcome to the U.S. Department of Energy's (DOE's) energy auditing tool, called ''NEAT.'' NEAT, an acronym for National Energy Audit Tool, a program for personal computers that was designed for use by local agencies in the Weatherization Assistance Program. It is an approved alternative audit that meets all auditing requirements set forth by the Program. NEAT is easy to use. It applies engineering and economic calculations to evaluate energy conservation measures for single-family, detached houses or small multifamily buildings. You can use it to rank measures for each individual house, or to establish a priority list of conservation measures for nearly identical housing types. NEAT was written for the Weatherization Assistance Program by Oak Ridge National Laboratory. Many building energy consumption algorithms are taken from Lawrence Berkeley Laboratory's Computerized Instrumented Residential Audit (CIRA), published in 1982 for the Department of Energy. Equipment retrofit conservation measures are based on published reports on various heating retrofits. Heating and cooling system replacement conservation measures are based on the energy ratings of new heating and cooling equipment. The Weatherization Program anticipates that this computer-based energy audit will offer substantial performance improvements to many states who choose to incorporate it into their programs. When conservation measures are evaluated locally according to climate, fuel cost, measure cost, and existing house conditions, the Program will be closer to its goal of assuring the maximum return for every federal dollar spent.

  16. Advancing Plug In Hybrid Technology and Flex Fuel Application...

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

    Meeting vss063bazzi2012o.pdf More Documents & Publications Advancing Plug In Hybrid Technology and Flex Fuel Application on a Chrysler Mini-Van PHEV DOE Funded Project...

  17. Desk Reference on DOE-Flex | Department of Energy

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

    contract. PDF icon Desk Reference on DOE-Flex (July 2011) Responsible Contacts Bruce Murray HR Policy Advisor E-mail bruce.murray@hq.doe.gov Phone 202-586-3372 More Documents &...

  18. Flex Your Electric Vehicle Knowledge Muscle On Jeopardy! Tonight |

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

    Department of Energy Flex Your Electric Vehicle Knowledge Muscle On Jeopardy! Tonight Flex Your Electric Vehicle Knowledge Muscle On Jeopardy! Tonight May 20, 2011 - 9:30am Addthis Ginny Simmons Ginny Simmons Former Managing Editor for Energy.gov, Office of Public Affairs One of the Department of Energy's great prides -- the Argonne National Laboratory -- will be featured in today's episode of Jeopardy! Contestants will answer questions in a "Cars of Today" category, which will

  19. Vehicle Certification Test Fuel and Ethanol Flex Fuel Quality | Department

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

    of Energy Vehicle Certification Test Fuel and Ethanol Flex Fuel Quality Vehicle Certification Test Fuel and Ethanol Flex Fuel Quality Breakout Session 2: Frontiers and Horizons Session 2-B: End Use and Fuel Certification Paul Machiele, Center Director for Fuel Programs, Office of Transportation & Air Quality, U.S. Environmental Protection Agency PDF icon b13_machiele_2-b.pdf More Documents & Publications High Octane Fuels Can Make Better Use of Renewable Transportation Fuels The

  20. National Energy AudiT (NEAT) user`s manual

    SciTech Connect (OSTI)

    Krigger, J.K.; Adams, N.; Gettings, M.

    1997-10-01

    Welcome to the US Department of Energy`s (DOE`s) energy auditing tool called ``NEAT``. NEAT, an acronym for National Energy AudiT, is a program for personal computers that was designed for use by local agencies in the Weatherization Assistance Program. It is an approved alternative audit that meets all auditing requirements set forth by the program as well as those anticipated from new regulations pertaining to waiver of the 40% materials requirements. NEAT is easy to use. It applies engineering and economic calculations to evaluate energy conservation measures for single-family, detached houses or small multifamily buildings. You can use it to rank measured for each individual house, or to establish a priority list of conservation measures for nearly identical housing types. NEAT was written for the Weatherization Assistance Program by Oak Ridge National Laboratory. Many buildings energy consumption algorithms are taken from Lawrence Berkeley Laboratory`s to the computerized Instrumented Residential Audit (CIRA), published in 1982 for the Department of energy. Equipment retrofit conservation measures are based on published reports on various heating retrofits. Heating and cooling system replacement conservation measures are based on the energy ratings of new heating and cooling equipment. The Weatherization Program anticipates that this computer-based energy audit will offer substantial performance improvements to many states who choose to incorporate it into their programs. When conservation measures are evaluated locally according to climate, fuel cost, measure cost, and existing house conditions, the Program will be closer to its goal of assuring the maximum return for every federal dollar spent.

  1. Method for making methanol

    DOE Patents [OSTI]

    Mednick, R. Lawrence (Roslyn Heights, NY); Blum, David B. (Wayne, NJ)

    1987-01-01

    Methanol is made in a liquid-phase methanol reactor by entraining a methanol-forming catalyst in an inert liquid and contacting said entrained catalyst with a synthesis gas comprising hydrogen and carbon monoxide.

  2. Method for making methanol

    DOE Patents [OSTI]

    Mednick, R. Lawrence (Roslyn Heights, NY); Blum, David B. (Wayne, NJ)

    1986-01-01

    Methanol is made in a liquid-phase methanol reactor by entraining a methanol-forming catalyst in an inert liquid and contacting said entrained catalyst with a synthesis gas comprising hydrogen and carbon monoxide.

  3. Fact #718: March 12, 2012 Number of Flex-Fuel Models Offered...

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

    Fact 718: March 12, 2012 Number of Flex-Fuel Models Offered Increased in 2011 General Motors (GM), Ford, and Chrysler have produced many different models of flex-fuel vehicles ...

  4. DC Students Flex Their Mental Muscles in Regional Science Bowl Competition

    Office of Environmental Management (EM)

    | Department of Energy DC Students Flex Their Mental Muscles in Regional Science Bowl Competition DC Students Flex Their Mental Muscles in Regional Science Bowl Competition February 23, 2015 - 3:12pm Addthis DC Students Flex Their Mental Muscles in Regional Science Bowl Competition Students across the country are flexing their mental muscles to earn a top spot in the Department of Energy's National Science Bowl® competition. High school students in the nation's capital were able to showcase

  5. WPN 93-11- Approval of Neat Audit Version 4.0

    Broader source: Energy.gov [DOE]

    This guidance provides information to States that wish to submit applications to Support Offices to use NEAT as their waiver audit.

  6. Synthesis of poly-(P-aryleneethynylene)s in neat water under aerobic conditions

    DOE Patents [OSTI]

    Kang, Youn K; Deria, Pravas; Therien, Michael J

    2012-10-16

    Provided are ethyne synthons comprising boron and related methods. Also provided are related water-soluble arylethynylene polymers capable of being synthesized in neat water under aerobic conditions.

  7. The National Energy Audit (NEAT) Engineering Manual (Version 6)

    SciTech Connect (OSTI)

    Gettings, M.B.

    2001-04-20

    Government-funded weatherization assistance programs resulted from increased oil prices caused by the 1973 oil embargo. These programs were instituted to reduce US consumption of oil and help low-income families afford the increasing cost of heating their homes. In the summer of 1988, Oak Ridge National Laboratory (ORNL) began providing technical support to the Department of Energy (DOE) Weatherization Assistance Program (WAP). A preliminary study found no suitable means of cost-effectively selecting energy efficiency improvements (measures) for single-family homes that incorporated all the factors seen as beneficial in improving cost-effectiveness and usability. In mid-1989, ORNL was authorized to begin development of a computer-based measure selection technique. In November of 1992 a draft version of the program was made available to all WAP state directors for testing. The first production release, Version 4.3, was made available in october of 1993. The Department of Energy's Weatherization Assistance Program has continued funding improvements to the program increasing its user-friendliness and applicability. initial publication of this engineering manual coincides with availability of Version 6.1, November 1997, though algorithms described generally apply to all prior versions. Periodic updates of specific sections in the manual will permit maintaining a relevant document. This Engineering Manual delineates the assumptions used by NEAT in arriving at the measure recommendations based on the user's input of the building characteristics. Details of the actual data entry are available in the NEAT User's Manual (ORNL/Sub/91-SK078/1) and will not be discussed in this manual.

  8. Alternative Fuels Data Center: City of Hoover Fleet Boasts 200-Plus Flex

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Fuel Vehicles City of Hoover Fleet Boasts 200-Plus Flex Fuel Vehicles to someone by E-mail Share Alternative Fuels Data Center: City of Hoover Fleet Boasts 200-Plus Flex Fuel Vehicles on Facebook Tweet about Alternative Fuels Data Center: City of Hoover Fleet Boasts 200-Plus Flex Fuel Vehicles on Twitter Bookmark Alternative Fuels Data Center: City of Hoover Fleet Boasts 200-Plus Flex Fuel Vehicles on Google Bookmark Alternative Fuels Data Center: City of Hoover Fleet Boasts 200-Plus Flex

  9. Improved Flow-Field Structures for Direct Methanol Fuel Cells

    SciTech Connect (OSTI)

    Gurau, Bogdan

    2013-05-31

    The direct methanol fuel cell (DMFC) is ideal if high energy-density liquid fuels are required. Liquid fuels have advantages over compressed hydrogen including higher energy density and ease of handling. Although state-of-the-art DMFCs exhibit manageable degradation rates, excessive fuel crossover diminishes system energy and power density. Although use of dilute methanol mitigates crossover, the concomitant lowering of the gross fuel energy density (GFED) demands a complex balance-of-plant (BOP) that includes higher flow rates, external exhaust recirculation, etc. An alternative approach is redesign of the fuel delivery system to accommodate concentrated methanol. NuVant Systems Inc. (NuVant) will maximize the GFED by design and assembly of a DMFC that uses near neat methanol. The approach is to tune the diffusion of highly concentrated methanol (to the anode catalytic layer) to the back-diffusion of water formed at the cathode (i.e. in situ generation of dilute methanol at the anode layer). Crossover will be minimized without compromising the GFED by innovative integration of the anode flow-field and the diffusion layer. The integrated flow-field-diffusion-layers (IFDLs) will widen the current and potential DMFC operating ranges and enable the use of cathodes optimized for hydrogen-air fuel cells.

  10. Desk Reference on DOE-Flex (July 2011)

    Office of Environmental Management (EM)

    July 2011 U.S. DEPARTMENT OF ENERGY DESK REFERENCE ON DOE-FLEX DOE's Telework Program Office of the Chief Human Capital Officer (CHCO) 2 TABLE OF CONTENTS Page INTRODUCTION AND BACKGROUND Introduction 3 Legislative Background 3 What is Telework? 3 Definition 3 Types of Telework Arrangements 4 TELEWORK GUIDANCE BY AUDIENCE Federal Agencies/Telework Managing Officers 5 Agency Roles and Responsibilities and Telework Policies 5 Training 6 Telework Agreements 6 Telework Managing Officer (TMO) 6

  11. Alternative Fuels Data Center: Methanol

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Methanol to someone by E-mail Share Alternative Fuels Data Center: Methanol on Facebook Tweet about Alternative Fuels Data Center: Methanol on Twitter Bookmark Alternative Fuels Data Center: Methanol on Google Bookmark Alternative Fuels Data Center: Methanol on Delicious Rank Alternative Fuels Data Center: Methanol on Digg Find More places to share Alternative Fuels Data Center: Methanol on AddThis.com... More in this section... Biobutanol Dimethyl Ether Methanol Renewable Hydrocarbon Biofuels

  12. Development of an SI DI Ethanol Optimized Flex Fuel Engine Using Advanced

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

    Valvetrain | Department of Energy an SI DI Ethanol Optimized Flex Fuel Engine Using Advanced Valvetrain Development of an SI DI Ethanol Optimized Flex Fuel Engine Using Advanced Valvetrain Presentation given at the 16th Directions in Engine-Efficiency and Emissions Research (DEER) Conference in Detroit, MI, September 27-30, 2010. PDF icon deer10_moore.pdf More Documents & Publications E85 Optimized Engine through Boosting, Spray Optimized GDi, VCR and Variable Valvetrain Flex Fuel

  13. Survey of Flex Fuel in 2014. CRC Project E-85-3

    SciTech Connect (OSTI)

    Alleman, Teresa L.

    2015-07-27

    ASTM D5798 sets the specifications for Ethanol Flex Fuel, which currently permits between 51 volume percent (vol%) and 83 vol% ethanol. The vapor pressure varies seasonally and geographically and is divided into four distinct classes to ensure year-round driveability. This project is the first survey of Ethanol Flex Fuel since these specification changes were made to Specification D5798.

  14. Methanol partial oxidation reformer

    SciTech Connect (OSTI)

    Ahmed, Shabbir; Kumar, Romesh; Krumpelt, Michael

    1999-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  15. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, Shabbir (Bolingbrook, IL); Kumar, Romesh (Naperville, IL); Krumpelt, Michael (Naperville, IL)

    2001-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  16. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-24

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  17. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-17

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  18. Fact #718: March 12, 2012 Number of Flex-Fuel Models Offered Increased in 2011

    Broader source: Energy.gov [DOE]

    General Motors (GM), Ford, and Chrysler have produced many different models of flex-fuel vehicles (cars and light trucks) over the last five years. In 2011, the number of models offered by those...

  19. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures

    SciTech Connect (OSTI)

    Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.

    2015-04-07

    This article reports results from the molecular dynamics simulations on the structural arrangement of the ions and molecules in the mixtures of trihexyl(tetradecyl)phosphonium chloride ([P{sub 666,14}{sup +}][Cl{sup ?}]) ionic liquid (IL) and methanol (MeOH) over the entire composition range. Effects of composition on the charge and polarity orderings have been investigated via computation of X-ray scattering structure function, S(q), and by using a partitioning scheme proposed for such multi-component mixtures. Except for the neat methanol liquid, the total S(q) shows two peaks in its intermolecular region for all the mole-fractions. The lowest q peak is dominated primarily by anion-anion, cation-anion, and methanol-anion correlations. Our results signify that the methanol bulk structure, which predominantly has short-distance characteristic correlations and is governed by polar group of methanol, is retained for x{sub IL} ? 0.1. Then, the mixture goes through gradual structural changes from methanol-like to the IL-like for 0.1 < x{sub IL} ? 0.7. The dipolar interaction between methanol molecules weakens in this range, and the structural landscape of the mixture is steered by strong ion-ion, anion-methanol, and nonpolar interactions. The IL-like structural arrangement is virtually recovered for x{sub IL} > 0.7. At all the compositions studied, while the cation head groups are predominantly solvated by anions and subsequently by methanol molecules, the polar hydroxyl group of methanol is preferentially solvated by the anions. The radial distribution functions of selected pair of atomic species have also confirmed these observations.

  20. The Development of Methanol Industry and Methanol Fuel in China

    SciTech Connect (OSTI)

    Li, W.Y.; Li, Z.; Xie, K.C.

    2009-07-01

    In 2007, China firmly established itself as the driver of the global methanol industry. The country became the world's largest methanol producer and consumer. The development of the methanol industry and methanol fuel in China is reviewed in this article. China is rich in coal but is short on oil and natural gas; unfortunately, transportation development will need more and more oil to provide the fuel. Methanol is becoming a dominant alternative fuel. China is showing the rest of the world how cleaner transportation fuels can be made from coal.

  1. X-ray Studies of the Interface Between Two Polar Liquids: Neat and with Electrolytes

    SciTech Connect (OSTI)

    Luo, G.; Malkova, S.; Pingali, S.V.; Schultz, D.; Lin, B.; Meron, M.; Graber, T.; Gebhardt, J.; Vanysek, P.; Schlossman, M.L.

    2010-11-30

    We demonstrate the use of X-ray reflectivity to probe the electron density profile normal to the interface between two polar liquids. Measurements of the interfacial width at the neat nitrobenzene/water and the neat water/2-heptanone interfaces are presented. These widths are consistent with predictions from capillary wave theory that describe thermal interfacial fluctuations determined by the tension and bending rigidity of the interface. Variation of the temperature of the water/nitrobenzene interface from 25 C to 55 C indicates that the role of the bending rigidity decreases with increasing temperature. X-ray reflectivity measurements of the electrified interface between an aqueous solution of BaCl{sub 2} and a nitrobenzene solution of TBATPB demonstrate the sensitivity of these measurements to the electrolyte distribution at the interface. A preliminary analysis of these data illustrates the inadequacy of the simplest, classical Gouy-Chapman theory of the electrolyte distribution.

  2. The Methanol Economy Project

    SciTech Connect (OSTI)

    Olah, George; Prakash, G.K.

    2013-12-31

    The Methanol Economy Project is based on the concept of replacing fossil fuels with methanol generated either from renewable resources or abundant natural (shale) gas. The full methanol cycle was investigated in this project, from production of methanol through bromination of methane, bireforming of methane to syngas, CO{sub 2} capture using supported amines, co-electrolysis of CO{sub 2} and water to formate and syngas, decomposition of formate to CO{sub 2} and H{sub 2}, and use of formic acid in a direct formic acid fuel cell. Each of these projects achieved milestones and provided new insights into their respective fields. ? Direct electrophilic bromination of methane to methyl bromide followed by hydrolysis to yield methanol was investigated on a wide variety of catalyst systems, but hydrolysis proved impractical for large-scale industrial application. ? Bireforming the correct ratio of methane, CO{sub 2}, and water on a NiO / MgO catalyst yielded the right proportion of H{sub 2}:CO (2:1) and proved to be stable for at least 250 hours of operation at 400 psi (28 atm). ? CO{sub 2} capture utilizing supported polyethyleneimines yielded a system capable of adsorbing CO{sub 2} from the air and release at nominal temperatures with negligible amine leaching. ? CO{sub 2} electrolysis to formate and syngas showed considerable increases in rate and selectivity by performing the reaction in a high pressure flow electrolyzer. ? Formic acid was shown to decompose selectively to CO{sub 2} and H{sub 2} using either Ru or Ir based homogeneous catalysts. ? Direct formic acid fuel cells were also investigated and showed higher than 40% voltage efficiency using reduced loadings of precious metals. A technoeconomic analysis was conducted to assess the viability of taking each of these processes to the industrial scale by applying the data gathered during the experiments to approximations based on currently used industrial processes. Several of these processes show significant promise for industrial scale up and use towards improving our nations energy independence.

  3. Driving "Back to the Future": Flex-Fuel Vehicle Awareness | Department of

    Office of Environmental Management (EM)

    Energy "Back to the Future": Flex-Fuel Vehicle Awareness Driving "Back to the Future": Flex-Fuel Vehicle Awareness March 18, 2011 - 9:41am Addthis Paul Bryan Biomass Program Manager, Office of Energy Efficiency & Renewable Energy The 1908 Model-T Ford was the first vehicle designed to run on ethanol-which Henry Ford termed "the fuel of the future." Today, about 8 million Flexible Fuel Vehicles (FFVs) on our roads are capable of running on either gasoline or

  4. Assessing the operational life of flexible printed boards intended for continuous flexing applications : a case study.

    SciTech Connect (OSTI)

    Beck, David Franklin

    2011-01-01

    Through the vehicle of a case study, this paper describes in detail how the guidance found in the suite of IPC (Association Connecting Electronics Industries) publications can be applied to develop a high level of design assurance that flexible printed boards intended for continuous flexing applications will satisfy specified lifetime requirements.

  5. OTEC energy via methanol production

    SciTech Connect (OSTI)

    Avery, W.H.; Richards, D.; Niemeyer, W.G.; Shoemaker, J.D.

    1983-01-01

    The conceptual design of an 160 MW/sub e/ OTEC plantship has been documented; it is designed to produce 1000 tonne/day of fuel-grade methanol from coal slurry shipped to the plantship, using oxygen and hydrogen from the on-board electrolysis of water. Data and components are used that were derived by Brown and Root Development, Inc. (BARDI) in designing a barge-mounted plant to make methanol from natural gas for Litton Industries and in the design and construction of a coal-to-ammonia demonstration plant in operation at Muscle Shoals, Alabama, for the Tennessee Valley Authority (TVA). The OTEC-methanol plant design is based on the use of the Texaco gasifier and Lurgi synthesis units. The sale price of OTEC methanol delivered to port from this first-of-a-kind plant is estimated to be marginally competitive with methanol from other sources at current market prices.

  6. Phase Behavior of Neat Triblock Copolymers and Copolymer/Homopolymer Blends Near Network Phase Windows

    SciTech Connect (OSTI)

    M Tureau; L Rong; B Hsiao; T Epps

    2011-12-31

    The phase behavior of poly(isoprene-b-styrene-b-methyl methacrylate) (ISM) copolymers near the styrene-rich network phase window was examined through the use of neat triblock copolymers and copolymer/homopolymer blends. Both end-block and middle-block blending protocols were employed using poly(isoprene) (PI), poly(methyl methacrylate) (PMMA), and poly(styrene) (PS) homopolymers. Blended specimens exhibited phase transformations to well-ordered nanostructures (at homopolymer loadings up to 26 vol % of the total blend volume). Morphological consistency between neat and blended specimens was established at various locations in the ISM phase space. Copolymer/homopolymer blending permitted the refinement of lamellar, hexagonally packed cylinder, and disordered melt phase boundaries as well as the identification of double gyroid (Q{sup 230}), alternating gyroid (Q{sup 214}), and orthorhombic (O{sup 70}) network regimes. Additionally, the experimental phase diagram exhibited similar trends to those found in a theoretical ABC triblock copolymer phase diagram with symmetric interactions and statistical segments lengths generated by Tyler et al.

  7. Technical evaluation and assessment of CNG/LPG bi-fuel and flex-fuel vehicle viability

    SciTech Connect (OSTI)

    Sinor, J E

    1994-05-01

    This report compares vehicles using compressed natural gas (CNG), liquefied petroleum gas (LPG), and combinations of the two in bi-fuel or flex-fuel configurations. Evidence shows that environmental and energy advantages can be gained by replacing two-fuel CNG/gasoline vehicles with two-fuel or flex-fuel systems to be economically competitive, it is necessary to develop a universal CNG/LPG pressure-regulator-injector and engine control module to switch from one tank to the other. For flex-fuel CNG/LPG designs, appropriate composition sensors, refueling pumps, fuel tanks, and vaporizers are necessary.

  8. Semi-flexible gas-insulated transmission line using sandwiched discs for intermittent flexing joints

    DOE Patents [OSTI]

    Kommineni, P.R.

    1983-02-15

    A gas-insulated transmission line includes an outer sheath, an inner conductor, an insulating gas electrically insulating the inner conductor from the outer sheath, and insulating supports insulatably supporting the inner conductor within the outer sheath. The inner conductor is provided with flexibility by the use of main conductor sections which are joined together through a conductor hub section and flexible flexing elements. Stress shields are provided to control the electric field at the locations of the conductor hub sections where the insulating supports are contacting the inner conductor. The flexing elements are formed by sandwiching together, by fusing, a pair of thin hollow discs which are fixedly secured to both the main conductor sections and the conductor hub section. 4 figs.

  9. Semi-flexible gas-insulated transmission line using sandwiched discs for intermittent flexing joints

    DOE Patents [OSTI]

    Kommineni, Prasad R. (Westboro, MA)

    1983-02-15

    A gas-insulated transmission line includes an outer sheath, an inner conductor, an insulating gas electrically insulating the inner conductor from the outer sheath, and insulating supports insulatably supporting the inner conductor within the outer sheath. The inner conductor is provided with flexibility by the use of main conductor sections which are joined together through a conductor hub section and flexible flexing elements. Stress shields are provided to control the electric field at the locations of the conductor hub sections where the insulating supports are contacting the inner conductor. The flexing elements are formed by sandwiching together, by fusing, a pair of thin hollow discs which are fixedly secured to both the main conductor sections and the conductor hub section.

  10. Advancing Plug In Hybrid Technology and Flex Fuel Application on a Chrysler

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

    Mini-Van PHEV DOE Funded Project | Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon vss063_bazzi_2011_o.pdf More Documents & Publications Advancing Plug In Hybrid Technology and Flex Fuel Application on a Chrysler Mini-Van PHEV DOE Funded Project Advancing Transportation Through Vehicle Electrification - PHEV Plug-in Hybrid (PHEV) Vehicle Technology Advancement and Demonstration Activity

  11. Advancing Plug In Hybrid Technology and Flex Fuel Application on a Chrysler

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

    Mini-Van PHEV DOE Funded Project | Department of Energy 2 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon vss063_bazzi_2012_o.pdf More Documents & Publications Advancing Plug In Hybrid Technology and Flex Fuel Application on a Chrysler Mini-Van PHEV DOE Funded Project Advancing Transportation Through Vehicle Electrification - PHEV Advancing Transportation Through Vehicle Electrification - PHEV

  12. Energy Upgrade California in Los Angeles County - The Flex Path Program

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

    UPGRADE CALIFORNIA in Los Angeles County THE FLEX PATH PROGRAM STEVE CULBERTSON, BKI The Challenge in California Energy consumption in existing homes is to be reduced by 20% by 2015 and... 40% by 2020 through universal demand for highly efficient homes and products.* *California Long Term Energy Efficiency Strategic Plan (CPUC) The Statewide Goals The Challenge in California * Of the 11.5 million residential units served by investor owned utilities (IOUs), about 5 million meet whole-house

  13. Deactivation of methanol synthesis catalysts

    SciTech Connect (OSTI)

    Roberts, G.W.; Brown, D.M.; Hsiung, T.H.; Lewnard, J.J. (Air Products and Chemicals, Inc., Allentown, PA (United States))

    1993-08-01

    A novel methanol synthesis process, the liquid-phase methanol (LPMEOH) process, has been developed and scaled up to a nominal 380 kg/h (10 ton/day) pilot plant. The process is based on a gas-sparged slurry reactor instead of a conventional, fixed-bed reactor. The use of slurry reactors, which are essentially gradientless, greatly facilitated the interpretation and quantification of catalyst deactivation phenomena. With a poison-free, CO-rich feedstream, the rate of deactivation of the Cu/ZnO catalyst increased rapidly with temperature. At constant temperature, in the absence of poisons, the decline with time in the rate constant for methanol synthesis correlated with the loss of BET surface area. Iron carbonyl, nickel carbonyl, and carbonyl sulfide are severe and highly specific poisons for methanol-synthesis catalyst. There was a linear relationship between the catalyst activity loss and the concentration of metal or sulfur on the catalyst.

  14. Translational and internal energy distributions of methyl and hydroxyl radicals produced by 157 nm photodissociation of amorphous solid methanol

    SciTech Connect (OSTI)

    Hama, Tetsuya; Yokoyama, Masaaki; Yabushita, Akihiro; Kawasaki, Masahiro; Wickramasinghe, Piyumie; Guo Wei; Loock, Hans-Peter; Ashfold, Michael N. R.; Western, Colin M.

    2009-12-14

    Methanol is typically observed within water-rich interstellar ices and is a source of interstellar organic species. Following the 157 nm photoexcitation of solid methanol at 90 K, desorbed CH{sub 3}(v=0) and OH(v=0,1) radicals have been observed in situ, near the solid surface, using resonance-enhanced multiphoton ionization (REMPI) detection methods. Time-of-flight and rotationally resolved REMPI spectra of the desorbed species were measured, and the respective fragment internal energy and kinetic energy distributions were obtained. Photoproduction mechanisms for CH{sub 3} and OH radicals from solid methanol are discussed. The formation of O({sup 1}D and {sup 3}P) atoms and H{sub 2}O was investigated, but the yield of these species was found to be negligible. CH{sub 3} products arising following the photoexcitation of water-methanol mixed ice showed similar kinetic and internal energy distributions to those from neat methanol ice.

  15. Rapid starting methanol reactor system

    DOE Patents [OSTI]

    Chludzinski, Paul J. (38 Berkshire St., Swampscott, MA 01907); Dantowitz, Philip (39 Nancy Ave., Peabody, MA 01960); McElroy, James F. (12 Old Cart Rd., Hamilton, MA 01936)

    1984-01-01

    The invention relates to a methanol-to-hydrogen cracking reactor for use with a fuel cell vehicular power plant. The system is particularly designed for rapid start-up of the catalytic methanol cracking reactor after an extended shut-down period, i.e., after the vehicular fuel cell power plant has been inoperative overnight. Rapid system start-up is accomplished by a combination of direct and indirect heating of the cracking catalyst. Initially, liquid methanol is burned with a stoichiometric or slightly lean air mixture in the combustion chamber of the reactor assembly. The hot combustion gas travels down a flue gas chamber in heat exchange relationship with the catalytic cracking chamber transferring heat across the catalyst chamber wall to heat the catalyst indirectly. The combustion gas is then diverted back through the catalyst bed to heat the catalyst pellets directly. When the cracking reactor temperature reaches operating temperature, methanol combustion is stopped and a hot gas valve is switched to route the flue gas overboard, with methanol being fed directly to the catalytic cracking reactor. Thereafter, the burner operates on excess hydrogen from the fuel cells.

  16. Fabrication and long-wavelength characterization of neat and chemically modified graphene

    SciTech Connect (OSTI)

    Kalugin, Nikolai G.

    2014-03-31

    Graphene, a single- or several layer-thick carbon, attracts significant research activity because of its exceptional material properties. Graphene is a promising material for optoelectronic applications. Neat graphene demonstrates potential as a material for long wavelength photodetectors working at elevated temperatures. Chemical modification of graphene opens up many new applications of this material in electronics, in new composite materials, and in new catalysts for different chemical processes. Chemical vapor deposition-grown large-area graphene can be successfully modified with the creation of benzyne attachments. The investigation of microwave properties is an important part of graphene research. Two variants of near-field long wavelength microscopy were found efficient with graphene. Measurements with a probe formed by an electrically open end of a 4 GHz half-lambda parallel-strip transmission line resonator allow the implementation of an electrodynamic model of graphene microwave impedance. The results of near-field scanning superconducting quantum interference device (SQUID) RF microscopy of graphite and graphene at 200 MHz shed light on mechanisms of AC graphene response: screening currents induced in graphene by an external RF magnetic field tend to localize near structural defects.

  17. MINOR PLANET 2002 EX{sub 12} (=169P/NEAT) AND THE ALPHA CAPRICORNID SHOWER

    SciTech Connect (OSTI)

    Jenniskens, P.; Vaubaillon, J.

    2010-05-15

    Minor planet 2002 EX{sub 12} (=comet 169P/NEAT) is identified as the parent body of the alpha Capricornid shower, based on a good agreement in the calculated and observed direction and speed of the approaching meteoroids for ejecta 4500-5000 years ago. The meteoroids that come to within 0.05 AU of Earth's orbit show the correct radiant position, radiant drift, approach speed, radiant dispersion, duration of activity, and distribution of dust at the other node, but meteoroids ejected 5000 years ago by previously proposed parent bodies do not. A more recent formation epoch is excluded because not enough dust would have evolved into Earth's path. The total mass of the stream is about 9 x 10{sup 13} kg, similar to that of the remaining comet. Release of so much matter in a short period of time implies a major disruption of the comet at that time. The bulk of this matter still passes inside Earth's orbit, but will cross Earth's orbit 300 years from now. As a result, the alpha Capricornids are expected to become a major annual shower in 2220-2420 A.D., stronger than any current annual shower.

  18. Air Breathing Direct Methanol Fuel Cell

    DOE Patents [OSTI]

    Ren; Xiaoming (Los Alamos, NM)

    2003-07-22

    A method for activating a membrane electrode assembly for a direct methanol fuel cell is disclosed. The method comprises operating the fuel cell with humidified hydrogen as the fuel followed by running the fuel cell with methanol as the fuel.

  19. List of Methanol Incentives | Open Energy Information

    Open Energy Info (EERE)

    Commercial Industrial Anaerobic Digestion Biodiesel Biomass CHPCogeneration Ethanol Hydrogen Landfill Gas Methanol Microturbines Municipal Solid Waste Yes Business Energy Tax...

  20. Direct Methanol Fuel Cells - Energy Innovation Portal

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

    Direct Methanol Fuel Cells Los Alamos National Laboratory Contact LANL About This Technology Direct methanol fuel cells provide an alternative power source for mobile devices. Direct methanol fuel cells provide an alternative power source for mobile devices. Technology Marketing SummaryLANL has developed an intellectual property portfolio in Direct Methanol Fuel Cells that may permit companies to participate in the emerging DMFC market while minimizing R&D risks and expenditures. Our

  1. CHARACTERIZATION AND TRIBOLOGICAL EVALUATION OF 1-BENZYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE AS NEAT LUBRICANT AND OIL ADDITIVE

    SciTech Connect (OSTI)

    Bansal, Dinesh G; Qu, Jun; Yu, Bo; Luo, Huimin; Dai, Sheng; Bunting, Bruce G; Blau, Peter Julian; Mordukhovich, Gregory; Smolenski, Donald

    2011-01-01

    Selected physical and chemical properties and tribological data for a newly-developed, imidazolium-based ionic liquid (IL) are presented. The IL is soluble in the SAE 5W-30 oil up to a certain weight percentage, and is as a promising candidate for use in lubrication applications, either in its neat version or as an oil additive. Characterization of the IL included dynamic viscosity at different temperatures, corrosion effects on cast iron cylinder liners, and thermal stability analysis. The tribological performance was evaluated using a reciprocating ring-on-liner test arrangement. When used in neat version this IL demonstrated friction coefficient comparable to a fully formulated engine oil, and when used as an oil additive it produced less wear.

  2. Air breathing direct methanol fuel cell

    DOE Patents [OSTI]

    Ren, Xiaoming (Los Alamos, NM)

    2002-01-01

    An air breathing direct methanol fuel cell is provided with a membrane electrode assembly, a conductive anode assembly that is permeable to air and directly open to atmospheric air, and a conductive cathode assembly that is permeable to methanol and directly contacting a liquid methanol source.

  3. WATER PRODUCTION IN COMETS 2001 Q4 (NEAT) AND 2002 T7 (LINEAR) DETERMINED FROM SOHO/SWAN OBSERVATIONS

    SciTech Connect (OSTI)

    Combi, M. R.; Lee, Y.; Maekinen, J. T. T.; Bertaux, J.-L.; Quemerais, E.

    2009-06-15

    The SWAN all-sky camera on the Solar and Heliospheric Observatory (SOHO) spacecraft detected the hydrogen Lyman-alpha (Ly{alpha}) comae of comets 2001 Q4 NEAT and 2002 T7 LINEAR for large portions of their perihelion apparitions in 2003 and 2004. C/2001 Q4 NEAT was observed from 2003 September 14 through 2004 November 2, covering heliocentric distances from 3.23 AU before perihelion to 2.75 AU after, and C/2002 T7 LINEAR was observed from 2003 December 4 through 2004 August 6, covering heliocentric distances from 2.52 AU before perihelion to 2.09 AU after. We combined the full set of comet specific and full-sky observations and used our time-resolved model (TRM), which enables us to extract continuous values of the daily-average value of the water production rate throughout most of this entire period. The average power-law fit to the production rate variation of C/2001 Q4 NEAT with heliocentric distance, r, gives 3.5 x 10{sup 29} r {sup -1.7} and that for C/2002 T7 LINEAR gives 4.6 x 10{sup 29} r {sup -2.0}. Both comets show roughly a factor of 2 asymmetry in activity about perihelion, being more active before perihelion. C/2001 Q4 NEAT showed a production rate outburst about 30 days before perihelion (2004 April 15) and then a large extended increase above the nominal trend from 50 to 70 days after perihelion (2004 July 5-July 25)

  4. Far-ultraviolet observations of comet C/2001 Q4 (NEAT) with FIMS/SPEAR

    SciTech Connect (OSTI)

    Lim, Y.-M.; Min, K.-W.; Feldman, P. D.; Han, W.; Edelstein, J.

    2014-02-01

    We present the results of far-ultraviolet observations of comet C/2001 Q4 (NEAT) that were made with the Far-Ultraviolet Imaging Spectrograph on board the Korean satellite STSAT-1. The observations were conducted in two campaigns during its perihelion approach between 2004 May 8 and 15. Based on the scanning mode observations in the wavelength band of 1400-1700 , we have constructed an image of the comet with an angular size of 55, which corresponds to the central coma region. Several important fluorescence emission lines were detected including S I multiplets at 1429 and 1479 , C I multiplets at 1561 and 1657 , and the CO A{sup 1}?-X{sup 1}?{sup +} Fourth Positive system; we have estimated the production rates of the corresponding species from the fluxes of these emission lines. The estimated production rate of CO was Q {sub CO} = (2.65 0.63) 10{sup 28} s{sup 1}, which is 6.2%-7.4% of the water production rate and is consistent with earlier predictions. The average carbon production rate was estimated to be Q{sub C} = ?1.59 10{sup 28} s{sup 1}, which is ?60% of the CO production rate. However, the observed carbon profile was steeper than that predicted using the two-component Haser model in the inner coma region, while it was consistent with the model in the outer region. The average sulfur production rate was Q{sub S} = (4.031.03) 10{sup 27} s{sup 1}, which corresponds to ?1% of the water production rate.

  5. Consistency in the Sum Frequency Generation Intensity and Phase Vibrational Spectra of the Air/Neat Water Interface

    SciTech Connect (OSTI)

    Feng, Ranran; Guo, Yuan; Lu, Rong; Velarde Ruiz Esparza, Luis A.; Wang, Hongfei

    2011-06-16

    Tremendous progresses have been made in quantitative understanding and interpretation of the hydrogen bonding and ordering structure at the air/water interface since the first sum-frequency generation vibrational spectroscopy (SFG-VS) measurement on the neat air/water interface by Q. Du et al. in 1993 (PRL, 70, 2312-2316, 1993.). However, there are still disagreements and controversies on the consistency between the different experiment measurements and the theoretical computational results. One critical problem lies in the inconsistency between the SFG-VS intensity measurements and the recently developed SFG-VS phase spectra measurements of the neat air/water interface, which has inspired various theoretical efforts trying to understand them. In this report, the reliability of the SFG-VS intensity spectra of the neat air/water interface is to be quantitatively examined, and the sources of possible inaccuracies in the SFG-VS phase spectral measurement is to be discussed based on the non-resonant SHG phase measurement results. The conclusion is that the SFG-VS intensity spectra data from different laboratories are now quantitatively converging and in agreement with each other, and the possible inaccuracies and inconsistencies in the SFG-VS phase spectra measurements need to be carefully examined against the properly corrected phase standard.

  6. Transport diffusion of liquid water and methanol through membranes...

    Office of Scientific and Technical Information (OSTI)

    DIFFUSION; MEMBRANES; METHANOL; TRANSPORT; WATER; GOLD; SURFACES; COMPUTER CALCULATIONS DIFFUSION; WATER; METHANOL; GOLD; MEMBRANES; SURFACES; COMPUTER CALCULATIONS Word Cloud ...

  7. Enhanced methanol utilization in direct methanol fuel cell

    DOE Patents [OSTI]

    Ren, Xiaoming (Los Alamos, NM); Gottesfeld, Shimshon (Los Alamos, NM)

    2001-10-02

    The fuel utilization of a direct methanol fuel cell is enhanced for improved cell efficiency. Distribution plates at the anode and cathode of the fuel cell are configured to distribute reactants vertically and laterally uniformly over a catalyzed membrane surface of the fuel cell. A conductive sheet between the anode distribution plate and the anodic membrane surface forms a mass transport barrier to the methanol fuel that is large relative to a mass transport barrier for a gaseous hydrogen fuel cell. In a preferred embodiment, the distribution plate is a perforated corrugated sheet. The mass transport barrier may be conveniently increased by increasing the thickness of an anode conductive sheet adjacent the membrane surface of the fuel cell.

  8. Methanol-tolerant cathode catalyst composite for direct methanol fuel cells

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

    - Energy Innovation Portal Methanol-tolerant cathode catalyst composite for direct methanol fuel cells Los Alamos National Laboratory Contact LANL About This Technology Technology Marketing Summary A direct methanol fuel cell (DMFC) having a methanol fuel supply, oxidant supply, and its membrane electrode assembly (MEA) formed of an anode electrode and a cathode electrode with a membrane therebetween, a methanol oxidation catalyst adjacent the anode electrode and the membrane, an oxidant

  9. Direct methanol fuel cell and system

    DOE Patents [OSTI]

    Wilson, Mahlon S. (Los Alamos, NM)

    2004-10-26

    A fuel cell having an anode and a cathode and a polymer electrolyte membrane located between anode and cathode gas diffusion backings uses a methanol vapor fuel supply. A permeable polymer electrolyte membrane having a permeability effective to sustain a carbon dioxide flux equivalent to at least 10 mA/cm.sup.2 provides for removal of carbon dioxide produced at the anode by reaction of methanol with water. Another aspect of the present invention includes a superabsorpent polymer material placed in proximity to the anode gas diffusion backing to hold liquid methanol or liquid methanol solution without wetting the anode gas diffusion backing so that methanol vapor from the liquid methanol or liquid methanol-water solution is supplied to the membrane.

  10. Methanol production method and system

    DOE Patents [OSTI]

    Chen, Michael J.; Rathke, Jerome W.

    1984-01-01

    Ethanol is selectively produced from the reaction of methanol with carbon monoxide and hydrogen in the presence of a transition metal carbonyl catalyst. Methanol serves as a solvent and may be accompanied by a less volatile co-solvent. The solution includes the transition metal carbonyl catalysts and a basic metal salt such as an alkali metal or alkaline earth metal formate, carbonate or bicarbonate. A gas containing a high carbon monoxide to hydrogen ratio, as is present in a typical gasifer product, is contacted with the solution for the preferential production of ethanol with minimal water as a byproduct. Fractionation of the reaction solution provides substantially pure ethanol product and allows return of the catalysts for reuse.

  11. Validation of the National Energy Audit (NEAT) with data from a gas utility low-income residential weatherization program in New York State

    SciTech Connect (OSTI)

    Gettings, M.B.; Berry, L.G.; Beyer, M.A.; Maxwell, J.B.

    1998-01-01

    This study uses two approaches to the validation of the National Energy Audit (NEAT). The first consists of comparisons of audit-predicted savings to savings observed in a pre- and post-retrofit analysis of metered gas consumption. Here, realization rates, which are the ratio of measured savings to audit-predicted savings, are examined for 49 houses to determine how accurately NEAT predicts savings in a field setting. The second approach involves assessing the accuracy of NEAT`s internal algorithms by comparing its results to those obtained with another engineering model, DOE-2.1E, which is an industry standard. In this analysis, both engineering models are applied to two houses, using the same building description data, and measure-specific estimates of savings are compared. 12 figs., 11 tabs.

  12. COMET 169P/NEAT(=2002 EX{sub 12}): THE PARENT BODY OF THE {alpha}-CAPRICORNID METEOROID STREAM

    SciTech Connect (OSTI)

    Kasuga, Toshihiro; Wiegert, Paul A.; Balam, David D.

    2010-12-15

    The Jupiter-family comet 169P/NEAT (previously known as asteroid 2002 EX{sub 12}) has a dynamical association with the {alpha}-Capricornid meteoroid stream. In this paper, we present photometric observations of comet 169P/NEAT to further investigate the physical characters of its disintegration state related to the stream. The comet shows a point-like surface brightness profile limiting contamination due to coma emission to {approx}4% at most, indicating no evidence of outgassing. An upper limit on the fraction of the surface that could be sublimating water ice of <10{sup -4} is obtained with an upper limit to the mass loss of {approx}10{sup -2} kg s{sup -1}. The effective radius of nucleus is found to be 2.3 {+-} 0.4 km. Red filter photometry yields a rotational period of 8.4096 {+-} 0.0012 hr, and the range of the amplitude 0.29 {+-} 0.02 mag is indicative of a moderately spherical shape having a projected axis ratio {approx}1.3. The comet shows redder colors than the Sun, being compatible with other dead comet candidates. The calculated lost mass per revolution is {approx}10{sup 9} kg. If it has sustained this mass loss over the estimated 5000 yr age of the {alpha}-Capricornid meteoroid stream, the total mass loss from 169P/NEAT ({approx}10{sup 13} kg) is consistent with the reported stream mass ({approx}10{sup 13}-10{sup 15} kg), suggesting that the stream is the product of steady disintegration of the parent at every return.

  13. Methods of conditioning direct methanol fuel cells

    DOE Patents [OSTI]

    Rice, Cynthia (Newington, CT); Ren, Xiaoming (Menands, NY); Gottesfeld, Shimshon (Niskayuna, NY)

    2005-11-08

    Methods for conditioning the membrane electrode assembly of a direct methanol fuel cell ("DMFC") are disclosed. In a first method, an electrical current of polarity opposite to that used in a functioning direct methanol fuel cell is passed through the anode surface of the membrane electrode assembly. In a second method, methanol is supplied to an anode surface of the membrane electrode assembly, allowed to cross over the polymer electrolyte membrane of the membrane electrode assembly to a cathode surface of the membrane electrode assembly, and an electrical current of polarity opposite to that in a functioning direct methanol fuel cell is drawn through the membrane electrode assembly, wherein methanol is oxidized at the cathode surface of the membrane electrode assembly while the catalyst on the anode surface is reduced. Surface oxides on the direct methanol fuel cell anode catalyst of the membrane electrode assembly are thereby reduced.

  14. Status of ionization by radial electron neat adaptation ion source research and development for SPIRAL2 and EURISOL-DS

    SciTech Connect (OSTI)

    Lau, C.; Cheikh Mhamed, M.; Essabaa, S.

    2008-02-15

    To take up the challenging issue of supplying a plasma ion source able to produce radioactive beams under extreme SPIRAL2 and EURISOL irradiation conditions, a research and development program has been initiated to work out ionization by radial electron neat adaptation (IRENA) ion source. Based on the electron beam generated plasma concept, the ion source is specifically adapted for thick target exploitation under intense irradiation. A validation prototype has been designed, constructed, and tested. First results obtained will be presented and commented. IRENA potential will be discussed, particularly in the framework of multimegawatt EURISOL.

  15. Air breathing direct methanol fuel cell

    DOE Patents [OSTI]

    Ren, Xiaoming (Los Alamos, NM); Gottesfeld, Shimshon (Los Alamos, NM)

    2002-01-01

    An air breathing direct methanol fuel cell is provided with a membrane electrode assembly, a conductive anode assembly that is permeable to air and directly open to atmospheric air, and a conductive cathode assembly that is permeable to methanol and directly contacting a liquid methanol source. Water loss from the cell is minimized by making the conductive cathode assembly hydrophobic and the conductive anode assembly hydrophilic.

  16. Method of steam reforming methanol to hydrogen

    DOE Patents [OSTI]

    Beshty, Bahjat S. (Lower Makefield, PA)

    1990-01-01

    The production of hydrogen by the catalyzed steam reforming of methanol is accomplished using a reformer of greatly reduced size and cost wherein a mixture of water and methanol is superheated to the gaseous state at temperatures of about 800.degree. to about 1,100.degree. F. and then fed to a reformer in direct contact with the catalyst bed contained therein, whereby the heat for the endothermic steam reforming reaction is derived directly from the superheated steam/methanol mixture.

  17. Manufacturing Cost Analysis for YSZ-Based FlexCells at Pilot and Full Scale Production Scales

    SciTech Connect (OSTI)

    Scott Swartz; Lora Thrun; Robin Kimbrell; Kellie Chenault

    2011-05-01

    Significant reductions in cell costs must be achieved in order to realize the full commercial potential of megawatt-scale SOFC power systems. The FlexCell designed by NexTech Materials is a scalable SOFC technology that offers particular advantages over competitive technologies. In this updated topical report, NexTech analyzes its FlexCell design and fabrication process to establish manufacturing costs at both pilot scale (10 MW/year) and full-scale (250 MW/year) production levels and benchmarks this against estimated anode supported cell costs at the 250 MW scale. This analysis will show that even with conservative assumptions for yield, materials usage, and cell power density, a cost of $35 per kilowatt can be achieved at high volume. Through advancements in cell size and membrane thickness, NexTech has identified paths for achieving cell manufacturing costs as low as $27 per kilowatt for its FlexCell technology. Also in this report, NexTech analyzes the impact of raw material costs on cell cost, showing the significant increases that result if target raw material costs cannot be achieved at this volume.

  18. A counter-charge layer in generalized solvents framework for electrical double layers in neat and hybrid ionic liquid electrolytes

    SciTech Connect (OSTI)

    Huang, Jingsong; Feng, Guang; Sumpter, Bobby G; Qiao, Rui; Meunier, Vincent

    2011-01-01

    Room-temperature ionic liquids (RTILs) have received significant attention as electrolytes due to a number of attractive properties such as their wide electrochemical windows. Since electrical double layers (EDLs) are the cornerstone for the applications of RTILs in electrochemical systems such as supercapacitors, it is important to develop an understanding of the structure capacitance relationships for these systems. Here we present a theoretical framework termed counter-charge layer in generalized solvents (CGS) for describing the structure and capacitance of the EDLs in neat RTILs and in RTILs mixed with different mass fractions of organic solvents. Within this framework, an EDL is made up of a counter-charge layer exactly balancing the electrode charge, and of polarized generalized solvents (in the form of layers of ion pairs, each of which has a zero net charge but has a dipole moment the ion pairs thus can be considered as a generalized solvent) consisting of all RTILs inside the system except the counter-ions in the counter-charge layer, together with solvent molecules if present. Several key features of the EDLs that originate from the strong ion ion correlation in RTILs, e.g., overscreening of electrode charge and alternating layering of counter-ions and co-ions, are explicitly incorporated into this framework. We show that the dielectric screening in EDLs is governed predominately by the polarization of generalized solvents (or ion pairs) in the EDL, and the capacitance of an EDL can be related to its microstructure with few a priori assumptions or simplifications. We use this framework to understand two interesting phenomena observed in molecular dynamics simulations of EDLs in a neat IL of 1-butyl-3- methylimidazolium tetrafluoroborate ([BMIM][BF4]) and in a mixture of [BMIM][BF4] and acetonitrile (ACN): (1) the capacitance of the EDLs in the [BMIM][BF4]/ACN mixture increases only slightly when the mass fraction of ACN in the mixture increases from zero to 50% although the dielectric constant of bulk ACN is more than two times higher than that of neat [BMIM][BF4]; (2) the capacitance of EDLs near negative electrodes (with BMIM+ ion as the counter-ion) is smaller than that near positive electrodes (with BF4as counter-ion) although the closest approaches of both ions to the electrode surface are nearly identical.

  19. Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel...

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

    Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications Download the ...

  20. Novel Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts...

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

    Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts Novel Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts Presented at the Department of Energy Fuel Cell...

  1. Direct Methanol Fuel Cell Corporation DMFCC | Open Energy Information

    Open Energy Info (EERE)

    Methanol Fuel Cell Corporation DMFCC Jump to: navigation, search Name: Direct Methanol Fuel Cell Corporation (DMFCC) Place: Altadena, California Zip: 91001 Product: DMFCC is...

  2. EMC Electropolishing TEM Samples Using Perchloric Acid and Methanol |

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

    Argonne National Laboratory Electropolishing TEM Samples Using Perchloric Acid and Methanol PDF icon Electropolishing_Using_Perchloric_Acid_and_Methanol

  3. Homogeneous catalyst formulations for methanol production

    DOE Patents [OSTI]

    Mahajan, Devinder (Port Jefferson, NY); Sapienza, Richard S. (Shoreham, NY); Slegeir, William A. (Hampton Bays, NY); O'Hare, Thomas E. (Huntington Station, NY)

    1990-01-01

    There is disclosed synthesis of CH.sub.3 OH from carbon monoxide and hydrogen using an extremely active homogeneous catalyst for methanol synthesis directly from synthesis gas. The catalyst operates preferably between 100.degree.-150.degree. C. and preferably at 100-150 psia synthesis gas to produce methanol. Use can be made of syngas mixtures which contain considerable quantities of other gases, such as nitrogen, methane or excess hydrogen. The catalyst is composed of two components: (a) a transition metal carbonyl complex and (b) an alkoxide component. In the simplest formulation, component (a) is a complex of nickel tetracarbonyl and component (b) is methoxide (CH.sub.3 O.sup.13 ), both being dissolved in a methanol solvent system. The presence of a co-solvent such as p-dioxane, THF, polyalcohols, ethers, hydrocarbons, and crown ethers accelerates the methanol synthesis reaction.

  4. Homogeneous catalyst formulations for methanol production

    DOE Patents [OSTI]

    Mahajan, Devinder (Port Jefferson, NY); Sapienza, Richard S. (Shoreham, NY); Slegeir, William A. (Hampton Bays, NY); O'Hare, Thomas E. (Huntington Station, NY)

    1991-02-12

    There is disclosed synthesis of CH.sub.3 OH from carbon monoxide and hydrogen using an extremely active homogeneous catalyst for methanol synthesis directly from synthesis gas. The catalyst operates preferably between 100.degree.-150.degree. C. and preferably at 100-150 psia synthesis gas to produce methanol. Use can be made of syngas mixtures which contain considerable quantities of other gases, such as nitrogen, methane or excess hydrogen. The catalyst is composed of two components: (a) a transition metal carbonyl complex and (b) an alkoxide component. In the simplest formulation, component (a) is a complex of nickel tetracarbonyl and component (b) is methoxide (CH.sub.3 O.sup.-), both being dissolved in a methanol solvent system. The presence of a co-solvent such as p-dioxane, THF, polyalcohols, ethers, hydrocarbons, and crown ethers accelerates the methanol synthesis reaction.

  5. Federal Methanol Fleet Project final report

    SciTech Connect (OSTI)

    West, B.H.; McGill, R.N.; Hillis, S.L.; Hodgson, J.W.

    1993-03-01

    The Federal Methanol Fleet Project concluded with the termination of data collection from the three fleet sites in February 1991. The Lawrence Berkeley Laboratory (LBL) completed five years of operation, Argonne National Laboratory (ANL) completed its fourth year in the project, and Oak Ridge National Laboratory (ORNL) completed its third. Twenty of the thirty-nine vehicles in the fleet were powered by fuel methanol (typically M85, 85 % methanol, 15 % unleaded gasoline, although the LBL fleet used M88), and the remaining control vehicles were comparable gasoline vehicles. Over 2.2 million km (1.4 million miles) were accumulated on the fleet vehicles in routine government service. Data collected over the years have included vehicle mileage and fuel economy, engine oil analysis, emissions, vehicle maintenance, and driver acceptance. Fuel economies (on an energy basis) of the methanol and gasoline vehicles of the same type were comparable throughout the fleet testing. Engine oil analysis has revealed higher accumulation rates of iron and other metals in the oil of the methanol vehicles, although no significant engine damage has been attributed to the higher metal content. Vehicles of both fuel types have experienced degradation in their emission control systems, however, the methanol vehicles seem to have degraded their catalytic converters at a higher rate. The methanol vehicles have required more maintenance than their gasoline counterparts, in most cases, although the higher levels of maintenance cannot be attributed to ``fuel-related`` repairs. According to the daily driver logs and results from several surveys, drivers of the fleet vehicles at all three sites were generally satisfied with the methanol vehicles.

  6. Federal Methanol Fleet Project final report

    SciTech Connect (OSTI)

    West, B.H.; McGill, R.N. ); Hillis, S.L.; Hodgson, J.W. )

    1993-03-01

    The Federal Methanol Fleet Project concluded with the termination of data collection from the three fleet sites in February 1991. The Lawrence Berkeley Laboratory (LBL) completed five years of operation, Argonne National Laboratory (ANL) completed its fourth year in the project, and Oak Ridge National Laboratory (ORNL) completed its third. Twenty of the thirty-nine vehicles in the fleet were powered by fuel methanol (typically M85, 85 % methanol, 15 % unleaded gasoline, although the LBL fleet used M88), and the remaining control vehicles were comparable gasoline vehicles. Over 2.2 million km (1.4 million miles) were accumulated on the fleet vehicles in routine government service. Data collected over the years have included vehicle mileage and fuel economy, engine oil analysis, emissions, vehicle maintenance, and driver acceptance. Fuel economies (on an energy basis) of the methanol and gasoline vehicles of the same type were comparable throughout the fleet testing. Engine oil analysis has revealed higher accumulation rates of iron and other metals in the oil of the methanol vehicles, although no significant engine damage has been attributed to the higher metal content. Vehicles of both fuel types have experienced degradation in their emission control systems, however, the methanol vehicles seem to have degraded their catalytic converters at a higher rate. The methanol vehicles have required more maintenance than their gasoline counterparts, in most cases, although the higher levels of maintenance cannot be attributed to fuel-related'' repairs. According to the daily driver logs and results from several surveys, drivers of the fleet vehicles at all three sites were generally satisfied with the methanol vehicles.

  7. Methanol-Tolerant Cathode Catalyst Composite For Direct Methanol Fuel Cells

    DOE Patents [OSTI]

    Zhu, Yimin (Los Alamos, NM); Zelenay, Piotr (Los Alamos, NM)

    2006-03-21

    A direct methanol fuel cell (DMFC) having a methanol fuel supply, oxidant supply, and its membrane electrode assembly (MEA) formed of an anode electrode and a cathode electrode with a membrane therebetween, a methanol oxidation catalyst adjacent the anode electrode and the membrane, an oxidant reduction catalyst adjacent the cathode electrode and the membrane, comprises an oxidant reduction catalyst layer of a platinum-chromium alloy so that oxidation at the cathode of methanol that crosses from the anode through the membrane to the cathode is reduced with a concomitant increase of net electrical potential at the cathode electrode.

  8. Methanol-tolerant cathode catalyst composite for direct methanol fuel cells

    DOE Patents [OSTI]

    Zhu, Yimin (Los Alamos, NM); Zelenay, Piotr (Los Alamos, NM)

    2006-09-05

    A direct methanol fuel cell (DMFC) having a methanol fuel supply, oxidant supply, and its membrane electrode assembly (MEA) formed of an anode electrode and a cathode electrode with a membrane therebetween, a methanol oxidation catalyst adjacent the anode electrode and the membrane, an oxidant reduction catalyst adjacent the cathode electrode and the membrane, comprises an oxidant reduction catalyst layer of Pt.sub.3Cr/C so that oxidation at the cathode of methanol that crosses from the anode through the membrane to the cathode is reduced with a concomitant increase of net electrical potential at the cathode electrode.

  9. Transesterification of waste vegetable oil under pulse sonication using ethanol, methanol and ethanolmethanol mixtures

    SciTech Connect (OSTI)

    Martinez-Guerra, Edith; Gude, Veera Gnaneswar

    2014-12-15

    Highlights: Pulse sonication effect on transesterification of waste vegetable oil was studied. Effects of ethanol, methanol, and alcohol mixtures on FAMEs yield were evaluated. Effect of ultrasonic intensity, power density, and its output rates were evaluated. Alcohol mixtures resulted in higher biodiesel yields due to better solubility. - Abstract: This study reports on the effects of direct pulse sonication and the type of alcohol (methanol and ethanol) on the transesterification reaction of waste vegetable oil without any external heating or mechanical mixing. Biodiesel yields and optimum process conditions for the transesterification reaction involving ethanol, methanol, and ethanolmethanol mixtures were evaluated. The effects of ultrasonic power densities (by varying sample volumes), power output rates (in W), and ultrasonic intensities (by varying the reactor size) were studied for transesterification reaction with ethanol, methanol and ethanolmethanol (50%-50%) mixtures. The optimum process conditions for ethanol or methanol based transesterification reaction of waste vegetable oil were determined as: 9:1 alcohol to oil ratio, 1% wt. catalyst amount, 12 min reaction time at a power output rate between 75 and 150 W. It was shown that the transesterification reactions using ethanolmethanol mixtures resulted in biodiesel yields as high as >99% at lower power density and ultrasound intensity when compared to ethanol or methanol based transesterification reactions.

  10. Vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters

    SciTech Connect (OSTI)

    Ahmed, Musahid; Ahmed, Musahid; Wilson, Kevin R.; Belau, Leonid; Kostko, Oleg

    2008-05-12

    In this work we report on thevacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters. Clusters of methanol with water are generated via co-expansion of the gas phase constituents in a continuous supersonic jet expansion of methanol and water seeded in Ar. The resulting clusters are investigated by single photon ionization with tunable vacuumultraviolet synchrotron radiation and mass analyzed using reflectron mass spectrometry. Protonated methanol clusters of the form (CH3OH)nH + (n=1-12) dominate the mass spectrum below the ionization energy of the methanol monomer. With an increase in water concentration, small amounts of mixed clusters of the form (CH3OH)n(H2O)H + (n=2-11) are detected. The only unprotonated species observed in this work are the methanol monomer and dimer. Appearance energies are obtained from the photoionization efficiency (PIE) curves for CH3OH +, (CH 3OH)2 +, (CH3OH)nH + (n=1-9), and (CH 3OH)n(H2O)H + (n=2-9 ) as a function of photon energy. With an increase in the water content in the molecular beam, there is an enhancement of photoionization intensity for methanol dimer and protonated methanol monomer at threshold. These results are compared and contrasted to previous experimental observations.

  11. Vacuum-Ultraviolet (VUV) Photoionization of Small Methanol and Methanol-Water Clusters

    SciTech Connect (OSTI)

    Kostko, Oleg; Belau, Leonid; Wilson, Kevin R.; Ahmed, Musahid

    2008-04-24

    In this work, we report on the vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters. Clusters of methanol with water are generated via co-expansion of the gas phase constituents in a continuous supersonic jet expansion of methanol and water seeded in Ar. The resulting clusters are investigated by single photon ionization with tunable vacuum-ultraviolet synchrotron radiation and mass analyzed using reflectron mass spectrometry. Protonated methanol clusters of the form (CH3OH)nH+(n = 1-12) dominate the mass spectrum below the ionization energy of the methanol monomer. With an increase in water concentration, small amounts of mixed clusters of the form (CH3OH n(H2O)H+ (n = 2-11) are detected. The only unprotonated species observed in this work are the methanol monomer and dimer. Appearance energies are obtained from the photoionization efficiency (PIE) curves for CH3OH+, (CH3OH)2+, (CH3OH)nH+ (n = 1-9), and (CH3OH)n(H2O)H+ (n = 2-9) as a function of photon energy. With an increasein the water content in the molecular beam, there is an enhancement of photoionization intensity for the methanol dimer and protonated methanol monomer at threshold. These results are compared and contrasted to previous experimental observations.

  12. Thermally integrated staged methanol reformer and method

    DOE Patents [OSTI]

    Skala, Glenn William (Churchville, NY); Hart-Predmore, David James (Rochester, NY); Pettit, William Henry (Rochester, NY); Borup, Rodney Lynn (East Rochester, NY)

    2001-01-01

    A thermally integrated two-stage methanol reformer including a heat exchanger and first and second reactors colocated in a common housing in which a gaseous heat transfer medium circulates to carry heat from the heat exchanger into the reactors. The heat transfer medium comprises principally hydrogen, carbon dioxide, methanol vapor and water vapor formed in a first stage reforming reaction. A small portion of the circulating heat transfer medium is drawn off and reacted in a second stage reforming reaction which substantially completes the reaction of the methanol and water remaining in the drawn-off portion. Preferably, a PrOx reactor will be included in the housing upstream of the heat exchanger to supplement the heat provided by the heat exchanger.

  13. Methanol sensor operated in a passive mode

    DOE Patents [OSTI]

    Ren, Xiaoming; Gottesfeld, Shimshon

    2002-01-01

    A sensor outputs a signal related to a concentration of methanol in an aqueous solution adjacent the sensor. A membrane electrode assembly (MEA) is included with an anode side and a cathode side. An anode current collector supports the anode side of the MEA and has a flow channel therethrough for flowing a stream of the aqueous solution and forms a physical barrier to control access of the methanol to the anode side of the MEA. A cathode current collector supports the cathode side of the MEA and is configured for air access to the cathode side of the MEA. A current sensor is connected to measure the current in a short circuit across the sensor electrodes to provide an output signal functionally related to the concentration of methanol in the aqueous solution.

  14. New methanol plant for Kharg Island

    SciTech Connect (OSTI)

    Alperowicz, N.

    1992-04-08

    Iran`s National Petrochemical Co. (NPC; Teheran) plans to set up a world scale export-oriented methanol plant on Kharg Island in the Persian Gulf. It says discussions are being held with three Western groups - C. Itoh (Tokyo), H & G (London), and Uhde (Dortmund) - to supply the 660,000-m.t./year facility. The estimated $150-million project would be repaid through export of methanol within three to four years. NPC hopes to conclude talks this year. Strategically located, Kharg Island is described as a good location in peacetime. It already serves as an oil terminal. NPC has an LPG and sulfur complex there.

  15. 37 GHz METHANOL MASERS : HORSEMEN OF THE APOCALYPSE FOR THE CLASS II METHANOL MASER PHASE?

    SciTech Connect (OSTI)

    Ellingsen, S. P.; Breen, S. L.; Sobolev, A. M.; Voronkov, M. A.; Caswell, J. L.; Lo, N.

    2011-12-01

    We report the results of a search for class II methanol masers at 37.7, 38.3, and 38.5 GHz toward a sample of 70 high-mass star formation regions. We primarily searched toward regions known to show emission either from the 107 GHz class II methanol maser transition, or from the 6.035 GHz excited OH transition. We detected maser emission from 13 sources in the 37.7 GHz transition, eight of these being new detections. We detected maser emission from three sources in the 38 GHz transitions, one of which is a new detection. We find that 37.7 GHz methanol masers are only associated with the most luminous 6.7 and 12.2 GHz methanol maser sources, which in turn are hypothesized to be the oldest class II methanol sources. We suggest that the 37.7 GHz methanol masers are associated with a brief evolutionary phase (of 1000-4000 years) prior to the cessation of class II methanol maser activity in the associated high-mass star formation region.

  16. Liquid phase methanol reactor staging process for the production of methanol

    DOE Patents [OSTI]

    Bonnell, Leo W. (Macungie, PA); Perka, Alan T. (Macungie, PA); Roberts, George W. (Emmaus, PA)

    1988-01-01

    The present invention is a process for the production of methanol from a syngas feed containing carbon monoxide, carbon dioxide and hydrogen. Basically, the process is the combination of two liquid phase methanol reactors into a staging process, such that each reactor is operated to favor a particular reaction mechanism. In the first reactor, the operation is controlled to favor the hydrogenation of carbon monoxide, and in the second reactor, the operation is controlled so as to favor the hydrogenation of carbon dioxide. This staging process results in substantial increases in methanol yield.

  17. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts From CO2 to Methanol via Novel Nanocatalysts Print Wednesday, 03 December 2014 00:00 Researchers have found novel nanocatalysts that...

  18. Mechanistic study of methanol synthesis from CO₂ and H₂ on...

    Office of Scientific and Technical Information (OSTI)

    Mechanistic study of methanol synthesis from CO and H on a modified model MoS cluster Citation Details In-Document Search Title: Mechanistic study of methanol synthesis ...

  19. Methanex, Hoechst Celanese dissolve methanol partnership

    SciTech Connect (OSTI)

    Morris, G.D.L.

    1993-03-31

    One of the many joint venture alliances recently announced in the petrochemical sector is ending in divorce. Hoechst Celanese Chemical (Dallas) and Methanex Corp. (Vancouver) are in the process of dissolving the partnership they had formed to restart Hoechst Celanese's methanol plant at Clear Lake, TX. Hoechst Celanese says it is actively seeking replacement partners and has several likely prospects, while Methanex is concentrating on its other ventures. Those include its just-completed acquisition of Fletcher Challenge's (Auckland, NZ) methanol business and a joint venture with American Cyanamid to convert an ammonia plant at Fortier, LA to methanol. Methanex will still be the world's largest producer of methanol. Officially, the negotiations between Methanex and Hoechst Celanese just broke down over the last month or so,' says Steve Yurich, operations manager for the Clear Lake plant. Market sources, however, say that Methanex found itself with too many irons in the fire' and pulled out before it ran into financial or perhaps even antitrust difficulties.

  20. Methanol production from Eucalyptus wood chips. Final report

    SciTech Connect (OSTI)

    Fishkind, H.H.

    1982-06-01

    This feasibility study includes all phases of methanol production from seedling to delivery of finished methanol. The study examines: production of 55 million, high quality, Eucalyptus seedlings through tissue culture; establishment of a Eucalyptus energy plantation on approximately 70,000 acres; engineering for a 100 million gallon-per-day methanol production facility; potential environmental impacts of the whole project; safety and health aspects of producing and using methanol; and development of site specific cost estimates.

  1. Modeling the thermal deformation of TATB-based explosives. Part 1: Thermal expansion of neat-pressed polycrystalline TATB

    SciTech Connect (OSTI)

    Luscher, Darby J.

    2014-05-08

    We detail a modeling approach to simulate the anisotropic thermal expansion of polycrystalline (1,3,5-triamino-2,4,6-trinitrobenzene) TATB-based explosives that utilizes microstructural information including porosity, crystal aspect ratio, and processing-induced texture. This report, the first in a series, focuses on nonlinear thermal expansion of neat-pressed polycrystalline TATB specimens which do not contain any binder; additional complexities related to polymeric binder and irreversible ratcheting behavior are briefly discussed, however detailed investigation of these aspects are deferred to subsequent reports. In this work we have, for the first time, developed a mesoscale continuum model relating the thermal expansion of polycrystal TATB specimens to their microstructural characteristics. A self-consistent homogenization procedure is used to relate macroscopic thermoelastic response to the constitutive behavior of single-crystal TATB. The model includes a representation of grain aspect ratio, porosity, and crystallographic texture attributed to the consolidation process. A quantitative model is proposed to describe the evolution of preferred orientation of graphitic planes in TATB during consolidation and an algorithm constructed to develop a discrete representation of the associated orientation distribution function. Analytical and numerical solutions using this model are shown to produce textures consistent with previous measurements and characterization for isostatic and uniaxial die-pressed specimens. Predicted thermal strain versus temperature for textured specimens are shown to be in agreement with corresponding experimental measurements. Using the developed modeling approach, several simulations have been run to investigate the influence of microstructure on macroscopic thermal expansion behavior. Results from these simulations are used to identify qualitative trends. Implications of the identified trends are discussed in the context of thermal deformation of engineered components whose consolidation process is generally more complex than isostatic or die-pressed specimens. Finally, an envisioned application of the modeling approach to simulating thermal expansion of weapon systems and components is outlined along with necessary future work to introduce the effects of binder and ratcheting behavior. Key conclusions from this work include the following. Both porosity and grain aspect ratio have an influence on the thermal expansion of polycrystal TATB considering realistic material variability. Thepreferred orientation of the single crystal TATB [001] poles within a polycrystal gives rise to pronounced anisotropy of the macroscopic thermal expansion. The extent of this preferred orientation depends on the magnitude of deformation, and consequently, is expected to vary spatially throughout manufactured components much like porosity. The modeling approach presented here has utility toward bringing spatially variable microstructural features into macroscale system engineering modelsAbstract Not Provided

  2. Platinum Nickel Nanowires as Methanol Oxidation Electrocatalysts

    SciTech Connect (OSTI)

    Alia, Shaun M.; Pylypenko, Svitlana; Neyerlin, Kenneth C.; Kocha, Shyam S.; Pivovar, Bryan S.

    2015-08-27

    We investigated platinum(Pt) nickel (Ni) nanowires (PtNiNWs) as methanol oxidation reaction (MOR) catalysts in rotating disk electrode (RDE) half-cells under acidic conditions. Pt-ruthenium (Ru) nanoparticles have long been the state of the art MOR catalyst for direct methanol fuel cells (DMFCs) where Ru provides oxophilic sites, lowering the potential for carbon monoxide oxidation and the MOR onset. Ru, however, is a precious metal that has long term durability concerns. Ni/Ni oxide species offer a potential to replace Ru in MOR electrocatalysis. PtNiNWs were investigated for MOR and oxygen annealing was investigated as a route to improve catalyst performance (mass activity 65% greater) and stability to potential cycling. Our results presented show that PtNiNWs offer significant promise in the area, but also result in Ni ion leaching that is a concern requiring further evaluation in fuel cells.

  3. Methanol-fueled transit bus demonstration

    SciTech Connect (OSTI)

    Jackson, M.D.; Fong, D.W.; Powars, C.A.; Smith, K.D.

    1983-01-01

    This paper summarizes the results of a California study to investigate the technical, environmental, and economic viability of using coal-derived fuels for transportation. Since nearly all of California's major urban areas have pollution problems, emphasis is placed on those options which are capable of achieving low exhaust emissions. A broad range of fuels are considered, including solids, gases, and liquids. Methanol, used in heavy-duty engines designed for this fuel, meets California's environmental, economic, and technical requirements for clean coal fuels. The combination has lower exhaust emissions than conventional Diesels -- smoke is eliminated and NO/SUB x/ and CO emissions are reduced. Further, thermal efficiencies comparable or exceeding conventional Diesels are possible. A demonstration of this new technology is now underway. Transit buses will be purchased with the objective of demonstrating alternative methanol engine designs. Economic viability in transit operations will be established.

  4. Platinum Nickel Nanowires as Methanol Oxidation Electrocatalysts

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

    Alia, Shaun M.; Pylypenko, Svitlana; Neyerlin, Kenneth C.; Kocha, Shyam S.; Pivovar, Bryan S.

    2015-08-27

    We investigated platinum(Pt) nickel (Ni) nanowires (PtNiNWs) as methanol oxidation reaction (MOR) catalysts in rotating disk electrode (RDE) half-cells under acidic conditions. Pt-ruthenium (Ru) nanoparticles have long been the state of the art MOR catalyst for direct methanol fuel cells (DMFCs) where Ru provides oxophilic sites, lowering the potential for carbon monoxide oxidation and the MOR onset. Ru, however, is a precious metal that has long term durability concerns. Ni/Ni oxide species offer a potential to replace Ru in MOR electrocatalysis. PtNiNWs were investigated for MOR and oxygen annealing was investigated as a route to improve catalyst performance (mass activitymore » 65% greater) and stability to potential cycling. Our results presented show that PtNiNWs offer significant promise in the area, but also result in Ni ion leaching that is a concern requiring further evaluation in fuel cells.« less

  5. The methanol industry`s missed opportunities

    SciTech Connect (OSTI)

    Stokes, C.A.

    1995-12-31

    Throughout its history the methanol industry has been backward in research and development and in industry cooperation on public image and regulatory matters. It has been extremely reticent as to the virtue of its product for new uses, especially for motor fuel. While this is perhaps understandable looking back, it is inexcusable looking forward. The industry needs to cooperate on a worldwide basis in research and market development, on the one hand, and in image-building and political influence, on the other, staying, of course, within the US and European and other regional antitrust regulations. Unless the industry develops the motor fuel market, and especially the exciting new approach through fuel cell operated EVs, to siphon off incremental capacity and keep plants running at 90% or more of capacity, it will continue to live in a price roller-coaster climate. A few low-cost producers will do reasonably well and the rest will just get along or drop out here and there along the way, as in the past. Having come so far from such a humble beginning, it is a shame not to realize the full potential that is clearly there: a potential to nearly double sales dollars without new plants and to produce from a plentiful resource, at least for the next half-century, all the methanol that can be imagined to be needed. Beyond that the industry can turn to renewable energy--the sun--via biomass growth, to make their product. In so doing, it can perhaps apply methanol as a plant growth stimulant, in effect making the product fully self-sustainable. The world needs to know what methanol can do to provide--economically and reliably--the things upon which a better life rests.

  6. 15.11.21 Methanol - JCAP

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

    Recent Science 15.12.04 Motifs 15.12.04 Screening 15.12.03 Assembly 15.11.21 Methanol 15.10.5 ECS Atwater 15.09.28 Bandgap Tunability Who we are Overview JCAP Mission JCAP At A Glance Fact Sheet Organizational Chart Our Achievements Recent Science Technology Transfer Awards & Honors Our People Senior Management Scientific Leadership Researchers Governance & Advisory Boards Operations & Administration

  7. Liquid methanol under a static electric field

    SciTech Connect (OSTI)

    Cassone, Giuseppe; Giaquinta, Paolo V.; Saija, Franz; Saitta, A. Marco

    2015-02-07

    We report on an ab initio molecular dynamics study of liquid methanol under the effect of a static electric field. We found that the hydrogen-bond structure of methanol is more robust and persistent for field intensities below the molecular dissociation threshold whose value (?0.31 V/) turns out to be moderately larger than the corresponding estimate obtained for liquid water. A sustained ionic current, with ohmic current-voltage behavior, flows in this material for field intensities above 0.36 V/, as is also the case of water, but the resulting ionic conductivity (?0.40 S cm{sup ?1}) is at least one order of magnitude lower than that of water, a circumstance that evidences a lower efficiency of proton transfer processes. We surmise that this study may be relevant for the understanding of the properties and functioning of technological materials which exploit ionic conduction, such as direct-methanol fuel cells and Nafion membranes.

  8. Improved Direct Methanol Fuel Cell Stack

    DOE Patents [OSTI]

    Wilson, Mahlon S. (Los Alamos, NM); Ramsey, John C. (Los Alamos, NM)

    2005-03-08

    A stack of direct methanol fuel cells exhibiting a circular footprint. A cathode and anode manifold, tie-bolt penetrations and tie-bolts are located within the circular footprint. Each fuel cell uses two graphite-based plates. One plate includes a cathode active area that is defined by serpentine channels connecting the inlet and outlet cathode manifold. The other plate includes an anode active area defined by serpentine channels connecting the inlet and outlet of the anode manifold, where the serpentine channels of the anode are orthogonal to the serpentine channels of the cathode. Located between the two plates is the fuel cell active region.

  9. Activation of catalysts for synthesizing methanol from synthesis gas

    DOE Patents [OSTI]

    Blum, David B. (108 Tall Oaks Dr., Wayne, NJ 07470); Gelbein, Abraham P. (45 Headley Rd., Morristown, NJ 07960)

    1985-01-01

    A method for activating a methanol synthesis catalyst is disclosed. In this method, the catalyst is slurried in an inert liquid and is activated by a reducing gas stream. The activation step occurs in-situ. That is, it is conducted in the same reactor as is the subsequent step of synthesizing methanol from a methanol gas stream catalyzed by the activated catalyst still dispersed in a slurry.

  10. Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell

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

    Applications | Department of Energy Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications Download the presentation slides from Arkema at the July 17, 2012, Fuel Cell Technologies Program webinar, "Fuel Cells for Portable Power." PDF icon Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications Webinar Slides More Documents & Publications

  11. Transport diffusion of liquid water and methanol through membranes (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Transport diffusion of liquid water and methanol through membranes Citation Details In-Document Search Title: Transport diffusion of liquid water and methanol through membranes The authors carried out dual-control-volume grand canonical molecular dynamics simulations of the transport diffusion of liquid water and methanol to vacuum under a fixed chemical potential gradient through a slit pore consisting of Au(111) surfaces covered by -CH{sub 3} and -OH terminated

  12. Methods of Conditioning Direct Methanol Fuel Cells - Energy Innovation

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

    Portal Find More Like This Return to Search Methods of Conditioning Direct Methanol Fuel Cells Los Alamos National Laboratory Contact LANL About This Technology Technology Marketing Summary Methods for conditioning the membrane electrode assembly of a direct methanol fuel cell ("DMFC") are disclosed. In a first method, an electrical current of polarity opposite to that used in a functioning direct methanol fuel cell is passed through the anode surface of the membrane electrode

  13. Novel Materials for High Efficiency Direct Methanol Fuel Cells...

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

    & Publications Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications Advance Patent Waiver W(A)2010-028 Durable, Low Cost, Improved Fuel Cell Membranes

  14. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts Print Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse...

  15. Investigation of a FAST-OrcaFlex Coupling Module for Integrating Turbine and Mooring Dynamics of Offshore Floating Wind Turbines: Preprint

    SciTech Connect (OSTI)

    Masciola, M.; Robertson, A.; Jonkman, J.; Driscoll, F.

    2011-10-01

    To enable offshore floating wind turbine design, the following are required: accurate modeling of the wind turbine structural dynamics, aerodynamics, platform hydrodynamics, a mooring system, and control algorithms. Mooring and anchor design can appreciably affect the dynamic response of offshore wind platforms that are subject to environmental loads. From an engineering perspective, system behavior and line loads must be studied well to ensure the overall design is fit for the intended purpose. FAST (Fatigue, Aerodynamics, Structures and Turbulence) is a comprehensive simulation tool used for modeling land-based and offshore wind turbines. In the case of a floating turbine, continuous cable theory is used to emulate mooring line dynamics. Higher modeling fidelity can be gained through the use of finite element mooring theory. This can be achieved through the FASTlink coupling module, which couples FAST with OrcaFlex, a commercial simulation tool used for modeling mooring line dynamics. In this application, FAST is responsible for capturing the aerodynamic loads and flexure of the wind turbine and its tower, and OrcaFlex models the mooring line and hydrodynamic effects below the water surface. This paper investigates the accuracy and stability of the FAST/OrcaFlex coupling operation.

  16. Low temperature catalyst system for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.

    1984-04-20

    This patent discloses a catalyst and process useful at low temperatures (150/sup 0/C) and preferably in the range 80 to 120/sup 0/C used in the production of methanol from carbon monoxide and hydrogen. The catalyst components are used in slurry form and comprise (1) a complex reducing agent derived from the component structure NaH-ROH-M(OAc)/sub 2/ where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1 to 6 carbon atoms and (2) a metal carbonyl of a group VI (Mo, Cr, W) metal. For the first component, Nic is preferred (where M = Ni and R = tertiary amyl). For the second component, Mo(CO)/sub 6/ is preferred. The mixture is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  17. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.; Mahajan, D.

    1986-09-30

    A catalyst and process useful at low temperatures (below about 160 C) and preferably in the range 80--120 C used in the production of methanol from carbon monoxide and hydrogen are disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH--RONa-M(OAc)[sub 2] where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1--6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is Nic (where M = Ni and R = tertiary amyl). Mo(CO)[sub 6] is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  18. 15.11.21 RH Methanol - JCAP

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

    Research Highlights 2.01.16 RH Plasmonics 06.01.16 BVO 15.12.04 RH Motifs 15.12.04 RH Screening 15.12.03 RH Assembly 15.11.21 RH Methanol 15.10.5 RH ECS Atwater 15.09.28 RH Bandgap Tunability 15.08.28 RH Novel Photoanodes 15.08.07 RH Si Microwire Photoanode 15.07.15 RH Interface Engineering 15.07.10 RH P-type Transparent 15.05.29 RH Operando X-ray 15.03.03 RH Fe Elecrolyte 15.01.16 RH Perovskite Solar Cells 15.02.10 RH Transparent Catalytic 14.05.14 RH Synchrotron X-ray 15.01.05 RH High OER

  19. Modifications for use of methanol or methanol-gasoline blends in automotive vehicles, September 1976-January 1980

    SciTech Connect (OSTI)

    Patterson, D.J.; Bolt, J.A.; Cole, D.E.

    1980-01-01

    Methanol or blends of methanol and gasoline as automotive fuels may be attractive means for extending the nation's petroleum reserves. The present study was aimed at identifying potential problems and solutions for this use of methanol. Retrofitting of existing vehicles as well as future vehicle design have been considered. The use of ethanol or higher alcohols was not addressed in this study but will be included at a later date. Several potentially serious problems have been identified with methanol use. The most attractive solutions depend upon an integrated combination of vehicle modifications and fuel design. No vehicle problems were found which could not be solved with relatively minor developments of existing technology providing the methanol or blend fuel was itself engineered to ameliorate the solution. Research needs have been identified in the areas of lubrication and materials. These, while apparently solvable, must precede use of methanol or methanol-gasoline blends as motor fuels. Because of the substantial costs and complexities of a retrofitting program, use of methanol must be evaluated in relation to other petroleum-saving alternatives. Future vehicles can be designed initially to operate satisfactorily on these alternate fuels. However a specific fuel composition must be specified around which the future engines and vehicles can be designed.

  20. Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite for methanol synthesis

    DOE Patents [OSTI]

    Tierney, John W. (Pittsburgh, PA); Wender, Irving (Pittsburgh, PA); Palekar, Vishwesh M. (Pittsburgh, PA)

    1993-01-01

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  1. Novel Materials for High Efficiency Direct Methanol Fuel Cells

    SciTech Connect (OSTI)

    Carson, Stephen; Mountz, David; He, Wensheng; Zhang, Tao

    2013-12-31

    Direct methanol fuel cell membranes were developed using blends of different polyelectrolytes with PVDF. The membranes showed complex relationships between polyelectrolyte chemistry, morphology, and processing. Although the PVDF grade was found to have little effect on the membrane permselectivity, it does impact membrane conductivity and methanol permeation values. Other factors, such as varying the polyelectrolyte polarity, using varying crosslinking agents, and adjusting the equivalent weight of the membranes impacted methanol permeation, permselectivity, and areal resistance. We now understand, within the scope of the project work completed, how these inter-related performance properties can be tailored to achieve a balance of performance.

  2. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts From CO2 to Methanol via Novel Nanocatalysts Print Wednesday, 03 December 2014 00:00 Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse gas-into methanol (CH3OH)-a key commodity used to produce numerous industrial chemicals and fuels. With the help of ambient-pressure x-ray photoelectron spectroscopy (AP-XPS) at the ALS, researchers have discovered that nanoparticles of cerium

  3. Effects of High Octane Ethanol Blends on Four Legacy Flex-Fuel Vehicles, and a Turbocharged GDI Vehicle

    SciTech Connect (OSTI)

    Thomas, John F; West, Brian H; Huff, Shean P

    2015-03-01

    The U.S. Department of Energy (DOE) is supporting engine and vehicle research to investigate the potential of high-octane fuels to improve fuel economy. Ethanol has very high research octane number (RON) and heat of vaporization (HoV), properties that make it an excellent spark ignition engine fuel. The prospects of increasing both the ethanol content and the octane number of the gasoline pool has the potential to enable improved fuel economy in future vehicles with downsized, downsped engines. This report describes a small study to explore the potential performance benefits of high octane ethanol blends in the legacy fleet. There are over 17 million flex-fuel vehicles (FFVs) on the road today in the United States, vehicles capable of using any fuel from E0 to E85. If a future high-octane blend for dedicated vehicles is on the horizon, the nation is faced with the classic chicken-and-egg dilemma. If today’s FFVs can see a performance advantage with a high octane ethanol blend such as E25 or E30, then perhaps consumer demand for this fuel can serve as a bridge to future dedicated vehicles. Experiments were performed with four FFVs using a 10% ethanol fuel (E10) with 88 pump octane, and a market gasoline blended with ethanol to make a 30% by volume ethanol fuel (E30) with 94 pump octane. The research octane numbers were 92.4 for the E10 fuel and 100.7 for the E30 fuel. Two vehicles had gasoline direct injected (GDI) engines, and two featured port fuel injection (PFI). Significant wide open throttle (WOT) performance improvements were measured for three of the four FFVs, with one vehicle showing no change. Additionally, a conventional (non-FFV) vehicle with a small turbocharged direct-injected engine was tested with a regular grade of gasoline with no ethanol (E0) and a splash blend of this same fuel with 15% ethanol by volume (E15). RON was increased from 90.7 for the E0 to 97.8 for the E15 blend. Significant wide open throttle and thermal efficiency performance improvement was measured for this vehicle, which achieved near volumetric fuel economy parity on the aggressive US06 drive cycle, demonstrating the potential for improved fuel economy in forthcoming downsized, downsped engines with high-octane fuels.

  4. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.; Mahajan, D.

    1985-03-12

    A catalyst and process useful at low temperatures (below about 160/sup 0/C) and preferably in the range 80 to 120/sup 0/C used in the production of methanol from carbon monoxide and hydrogen is disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH-RONa-M(OAc)/sub 2/ where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1 to 6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is Nic (where M = Ni and R = tertiary amyl). Mo(CO)/sub 6/ is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  5. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.; Mahajan, D.

    1986-10-28

    A catalyst and process useful at low temperatures (below about 160 C) and preferably in the range 80--120 C used in the production of methanol from carbon monoxide and hydrogen are disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH--RONa-M(OAc)[sub 2] where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1-6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is NiC (where M = Ni and R = tertiary amyl). Mo(CO)[sub 6] is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  6. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, Richard S. (1 Miller Ave., Shoreham, NY 11786); Slegeir, William A. (7 Florence Rd., Hampton Bays, NY 11946); O'Hare, Thomas E. (11 Geiger Pl., Huntington Station, NY 11746); Mahajan, Devinder (14 Locust Ct., Selden, NY 11784)

    1986-01-01

    A catalyst and process useful at low temperatures (below about 160.degree. C.) and preferably in the range 80.degree.-120.degree. C. used in the production of methanol from carbon monoxide and hydrogen is disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH--RONa--M(OAc).sub.2 where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1-6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is Nic (where M=Ni and R=tertiary amyl). Mo(CO).sub.6 is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  7. From CO2 to Methanol via Novel Nanocatalysts

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

    oxide (ceria) in contact with copper will form metal-oxide interfaces that allow the adsorption and activation of CO2, opening a new reaction pathway for the synthesis of methanol....

  8. Bifunctional Anode Catalysts for Direct Methanol Fuel Cells

    SciTech Connect (OSTI)

    Rossmeisl, Jan; Ferrin, Peter A.; Tritsaris, Georgios A.; Nilekar, Anand U.; Koh, Shirlaine; Bae, Sang Eun; Brankovic, Stanko R.; Strasser, Peter; Mavrikakis, Manos

    2012-06-13

    Using the binding energy of OH* and CO* on close-packed surfaces as reactivity descriptors, we screen bulk and surface alloy catalysts for methanol electro-oxidation activity. Using these two descriptors, we illustrate that a good methanol electro-oxidation catalyst must have three key properties: (1) the ability to activate methanol, (2) the ability to activate water, and (3) the ability to react off surface intermediates (such as CO* and OH*). Based on this analysis, an alloy catalyst made up of Cu and Pt should have a synergistic effect facilitating the activity towards methanol electro-oxidation. Using these two reactivity descriptors, a surface PtCu3 alloy is proposed to have the best catalytic properties of the PtCu model catalysts tested, similar to those of a PtRu bulk alloy. To validate the model, experiments on a Pt(111) surface modified with different amounts of Cu adatoms are performed. Adding Cu to a Pt(111) surface increases the methanol oxidation current by more than a factor of three, supporting our theoretical predictions for improved electrocatalysts.

  9. Solid-state thermal behavior and stability studies of theophylline-citric acid cocrystals prepared by neat cogrinding or thermal treatment

    SciTech Connect (OSTI)

    Hsu, Po-Chun; Lin, Hong-Liang; Wang, Shun-Li; Lin, Shan-Yang

    2012-08-15

    To investigate the thermal behavior of cocrystal formed between anhydrous theophylline (TP) and anhydrous citric acid (CA) by neat manual cogrinding or thermal treatment, DSC and FTIR microspectroscopy with curve-fitting analysis were applied. The physical mixture and 60-min ground mixture were stored at 55{+-}0.5 Degree-Sign C/40{+-}2% RH condition to determine their stability behavior. Typical TP-CA cocrystals were prepared by slow solvent evaporation method. Results indicate that the cogrinding process could gradually induce the cocrystal formation between TP and CA. The IR spectral peak shift from 3495 to 3512 cm{sup -1} and the stepwise appearance of several new IR peaks at 1731, 1712, 1676, 1651, 1557 and 1265 cm{sup -1} with cogrinding time suggest that the mechanism of TP-CA cocrystal formation was evidenced by interacting TP with CA through the intermolecular O-H{center_dot}{center_dot}{center_dot}O hydrogen bonding. The stability of 60-min ground mixture of TP-CA was confirmed at 55{+-}0.5 Degree-Sign C/40{+-}2% RH condition over a storage time of 60 days. - Garphical abstract: Cogrinding, thermal and solvent-evaporation methods might easily induce the theophylline-citric acid cocrystal formation. Highlights: Black-Right-Pointing-Pointer Cogrinding process could gradually induce the cocrystal formation between TP and CA. Black-Right-Pointing-Pointer The TP-CA cocrystal was formed through the intermolecular O-H{center_dot}{center_dot}{center_dot}O hydrogen bonding. Black-Right-Pointing-Pointer The 60-min TP-CA ground mixture was similar to the solvent-evaporated cocrystal. Black-Right-Pointing-Pointer The thermal-induced TP-CA cocrystal formation was confirmed by pre-heating the physical mixture to 152 Degree-Sign C. Black-Right-Pointing-Pointer The 60-min TP-CA ground mixture was stable at accelerated condition over a storage time of 60 days.

  10. ORTHO-TO-PARA ABUNDANCE RATIO OF WATER ION IN COMET C/2001 Q4 (NEAT): IMPLICATION FOR ORTHO-TO-PARA ABUNDANCE RATIO OF WATER

    SciTech Connect (OSTI)

    Shinnaka, Yoshiharu; Kawakita, Hideyo; Kobayashi, Hitomi; Boice, Daniel C.; Martinez, Susan E.

    2012-04-20

    The ortho-to-para abundance ratio (OPR) of cometary molecules is considered to be one of the primordial characteristics of cometary ices, and contains information concerning their formation. Water is the most abundant species in cometary ices, and OPRs of water in comets have been determined from infrared spectroscopic observations of H{sub 2}O rovibrational transitions so far. In this paper, we present a new method to derive OPR of water in comets from the high-dispersion spectrum of the rovibronic emission of H{sub 2}O{sup +} in the optical wavelength region. The rovibronic emission lines of H{sub 2}O{sup +} are sometimes contaminated by other molecular emission lines but they are not affected seriously by telluric absorption compared with near-infrared observations. Since H{sub 2}O{sup +} ions are mainly produced from H{sub 2}O by photoionization in the coma, the OPR of H{sub 2}O{sup +} is considered to be equal to that of water based on the nuclear spin conservation through the reaction. We have developed a fluorescence excitation model of H{sub 2}O{sup +} and applied it to the spectrum of comet C/2001 Q4 (NEAT). The derived OPR of water is 2.54{sup +0.32}{sub -0.25}, which corresponds to a nuclear spin temperature (T{sub spin}) of 30{sup +10}{sub -4} K. This is consistent with the previous value determined in the near-infrared for the same comet (OPR = 2.6 {+-} 0.3, T{sub spin} = 31{sup +11}{sub -5} K).

  11. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts Print Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse gas-into methanol (CH3OH)-a key commodity used to produce numerous industrial chemicals and fuels. With the help of ambient-pressure x-ray photoelectron spectroscopy (AP-XPS) at the ALS, researchers have discovered that nanoparticles of cerium oxide (ceria) in contact with copper will form metal-oxide interfaces that allow

  12. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts Print Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse gas-into methanol (CH3OH)-a key commodity used to produce numerous industrial chemicals and fuels. With the help of ambient-pressure x-ray photoelectron spectroscopy (AP-XPS) at the ALS, researchers have discovered that nanoparticles of cerium oxide (ceria) in contact with copper will form metal-oxide interfaces that allow

  13. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts Print Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse gas-into methanol (CH3OH)-a key commodity used to produce numerous industrial chemicals and fuels. With the help of ambient-pressure x-ray photoelectron spectroscopy (AP-XPS) at the ALS, researchers have discovered that nanoparticles of cerium oxide (ceria) in contact with copper will form metal-oxide interfaces that allow

  14. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts Print Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse gas-into methanol (CH3OH)-a key commodity used to produce numerous industrial chemicals and fuels. With the help of ambient-pressure x-ray photoelectron spectroscopy (AP-XPS) at the ALS, researchers have discovered that nanoparticles of cerium oxide (ceria) in contact with copper will form metal-oxide interfaces that allow

  15. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts Print Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse gas-into methanol (CH3OH)-a key commodity used to produce numerous industrial chemicals and fuels. With the help of ambient-pressure x-ray photoelectron spectroscopy (AP-XPS) at the ALS, researchers have discovered that nanoparticles of cerium oxide (ceria) in contact with copper will form metal-oxide interfaces that allow

  16. From CO2 to Methanol via Novel Nanocatalysts

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

    From CO2 to Methanol via Novel Nanocatalysts Print Researchers have found novel nanocatalysts that lower the barrier to converting carbon dioxide (CO2)-an abundant greenhouse gas-into methanol (CH3OH)-a key commodity used to produce numerous industrial chemicals and fuels. With the help of ambient-pressure x-ray photoelectron spectroscopy (AP-XPS) at the ALS, researchers have discovered that nanoparticles of cerium oxide (ceria) in contact with copper will form metal-oxide interfaces that allow

  17. Injector spray characterization of methanol in reciprocating engines

    SciTech Connect (OSTI)

    Dodge, L.; Naegeli, D.

    1994-06-01

    This report covers a study that addressed cold-starting problems in alcohol-fueled, spark-ignition engines by using fine-spray port-fuel injectors to inject fuel directly into the cylinder. This task included development and characterization of some very fine-spray, port-fuel injectors for a methanol-fueled spark-ignition engine. After determining the spray characteristics, a computational study was performed to estimate the evaporation rate of the methanol fuel spray under cold-starting and steady-state conditions.

  18. Environmental information volume: Liquid Phase Methanol (LPMEOH{trademark}) project

    SciTech Connect (OSTI)

    1996-05-01

    The purpose of this project is to demonstrate the commercial viability of the Liquid Phase Methanol Process using coal-derived synthesis gas, a mixture of hydrogen and carbon monoxide. This report describes the proposed actions, alternative to the proposed action, the existing environment at the coal gasification plant at Kingsport, Tennessee, environmental impacts, regulatory requirements, offsite fuel testing, and DME addition to methanol production. Appendices include the air permit application, solid waste permits, water permit, existing air permits, agency correspondence, and Eastman and Air Products literature.

  19. Development of a bench scale test to evaluate lubricants for use with methanol-fueled engines

    SciTech Connect (OSTI)

    Shah, R.; Klaus, E.; Duda, J.L.

    1996-10-01

    In methanol-fueled diesel engines, the crankcase lubricant is used to lubricate both the engine and the fuel injector system. Crankcase lubricants including some designed for methanol-fueled engines are not completely compatible with the methanol fuel. In order to test the effect of methanol extraction on diesel engine lubricant performance, two extraction protocols were developed: one to simulate the fuel injector (1000 parts of methanol to one part of lubricant) and the other to simulate an extreme case of methanol contamination in the crank-case (one part of methanol to five parts of lubricant). The extracted samples of the lubricant were stripped to remove the methanol. The samples were then evaluated for changes in oxidative stability and lubricity. 12 refs., 3 figs., 8 tabs.

  20. Romania program targets methanol and Fischer-Tropsch research

    SciTech Connect (OSTI)

    Not Available

    1987-03-01

    Currently, the chemical organic industry, the petrochemical and engine fuels industry in Romania are entirely based on hydrocarbons from oil. To reduce the oil dependence of this sector and to ensure the stipulated growth rate of 8-9%, research and development programs have been set up with a view to the diversification of raw materials. In research on hydrocarbons from alcohol conversion, three process variants are known, i.e. olefins from methanol, gasolines from methanol and a combined gasolines and aromatic hydrocarbons from methanol. The Romanian process of methanol conversion to hydrocarbons is very flexible, with all the variants mentioned being carried out in the same plant by modifying the catalysts. In research on hydrocarbons from synthesis gas a modern process is being developed for gasification of brown coal in a fluidized bed, under pressure, in the presence of oxygen and water vapors. In the field of carbon oxide hydrogenation, studies have been carried out on selective Fischer-Tropsch processes in which the reaction products are high value hydrocarbon fractions.

  1. Novel Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts (Presentation)

    SciTech Connect (OSTI)

    Dinh, H.; Gennett, T.

    2010-06-11

    This presentation is a summary of a Novel Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts.

  2. An ecosystem-scale perspective of the net land methanol flux. Synthesis of micrometeorological flux measurements

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

    Wohlfahrt, G.; Amelynck, C.; Ammann, C.; Arneth, A.; Bamberger, I.; Goldstein, A. H.; Gu, L.; Guenther, A.; Hansel, A.; Heinesch, B.; et al

    2015-07-09

    Methanol is the second most abundant volatile organic compound in the troposphere and plays a significant role in atmospheric chemistry. While there is consensus about the dominant role of living plants as the major source and the reaction with OH as the major sink of methanol, global methanol budgets diverge considerably in terms of source/sink estimates, reflecting uncertainties in the approaches used to model and the empirical data used to separately constrain these terms. Here we compiled micrometeorological methanol flux data from eight different study sites and reviewed the corresponding literature in order to provide a first cross-site synthesis ofmore » the terrestrial ecosystem-scale methanol exchange and present an independent data-driven view of the land–atmosphere methanol exchange. Our study shows that the controls of plant growth on production, and thus the methanol emission magnitude, as well as stomatal conductance on the hourly methanol emission variability, established at the leaf level, hold across sites at the ecosystem level. Unequivocal evidence for bi-directional methanol exchange at the ecosystem scale is presented. Deposition, which at some sites even exceeds methanol emissions, represents an emerging feature of ecosystem-scale measurements and is likely related to environmental factors favouring the formation of surface wetness. Methanol may adsorb to or dissolve in this surface water and eventually be chemically or biologically removed from it. Management activities in agriculture and forestry are shown to increase local methanol emission by orders of magnitude; however, they are neglected at present in global budgets. While contemporary net land methanol budgets are overall consistent with the grand mean of the micrometeorological methanol flux measurements, we caution that the present approach of simulating methanol emission and deposition separately is prone to opposing systematic errors and does not allow for full advantage to be taken of the rich information content of micrometeorological flux measurements.« less

  3. An ecosystem-scale perspective of the net land methanol flux. Synthesis of micrometeorological flux measurements

    SciTech Connect (OSTI)

    Wohlfahrt, G.; Amelynck, C.; Ammann, C.; Arneth, A.; Bamberger, I.; Goldstein, A. H.; Gu, L.; Guenther, A.; Hansel, A.; Heinesch, B.; Holst, T.; Hrtnagl, L.; Karl, T.; Laffineur, Q.; Neftel, A.; McKinney, K.; Munger, J. W.; Pallardy, S. G.; Schade, G. W.; Seco, R.; Schoon, N.

    2015-07-09

    Methanol is the second most abundant volatile organic compound in the troposphere and plays a significant role in atmospheric chemistry. While there is consensus about the dominant role of living plants as the major source and the reaction with OH as the major sink of methanol, global methanol budgets diverge considerably in terms of source/sink estimates, reflecting uncertainties in the approaches used to model and the empirical data used to separately constrain these terms. Here we compiled micrometeorological methanol flux data from eight different study sites and reviewed the corresponding literature in order to provide a first cross-site synthesis of the terrestrial ecosystem-scale methanol exchange and present an independent data-driven view of the landatmosphere methanol exchange. Our study shows that the controls of plant growth on production, and thus the methanol emission magnitude, as well as stomatal conductance on the hourly methanol emission variability, established at the leaf level, hold across sites at the ecosystem level. Unequivocal evidence for bi-directional methanol exchange at the ecosystem scale is presented. Deposition, which at some sites even exceeds methanol emissions, represents an emerging feature of ecosystem-scale measurements and is likely related to environmental factors favouring the formation of surface wetness. Methanol may adsorb to or dissolve in this surface water and eventually be chemically or biologically removed from it. Management activities in agriculture and forestry are shown to increase local methanol emission by orders of magnitude; however, they are neglected at present in global budgets. While contemporary net land methanol budgets are overall consistent with the grand mean of the micrometeorological methanol flux measurements, we caution that the present approach of simulating methanol emission and deposition separately is prone to opposing systematic errors and does not allow for full advantage to be taken of the rich information content of micrometeorological flux measurements.

  4. High specific power, direct methanol fuel cell stack

    DOE Patents [OSTI]

    Ramsey, John C. (Los Alamos, NM); Wilson, Mahlon S. (Los Alamos, NM)

    2007-05-08

    The present invention is a fuel cell stack including at least one direct methanol fuel cell. A cathode manifold is used to convey ambient air to each fuel cell, and an anode manifold is used to convey liquid methanol fuel to each fuel cell. Tie-bolt penetrations and tie-bolts are spaced evenly around the perimeter to hold the fuel cell stack together. Each fuel cell uses two graphite-based plates. One plate includes a cathode active area that is defined by serpentine channels connecting the inlet manifold with an integral flow restrictor to the outlet manifold. The other plate includes an anode active area defined by serpentine channels connecting the inlet and outlet of the anode manifold. Located between the two plates is the fuel cell active region.

  5. Conversion of Methanol, Ethanol and Propanol over Zeolites

    SciTech Connect (OSTI)

    Ramasamy, Karthikeyan K.; Wang, Yong

    2013-06-04

    Renewable fuel from lignocellulosic biomass has recently attracted more attention due to its environmental and the potential economic benefits over the crude oil [1]. In particular the production of fuel range hydrocarbon (HC) from alcohol generated lots of interest since the alcohol can be produced from biomass via thermochemical [2] (mixed alcohol from gasification derived synthesis gas) as well as the biochemical routes [3] (alcohol fermentation). Along with the development of ZSM5 synthesis and the discovery of methanol-to-gasoline (MTG) process by Mobil in 1970s triggered lots of interest in research and development arena to understand the reaction mechanisms of alcohols over zeolites in particular ZSM5 [4]. More detailed research on methanol conversion was extensively reported [5] and in recent times the research work can be found on ethanol [6] and other alcohols as well but comprehensive comparison of catalyst activity and the deactivation mechanism of the conversion of various alcohols over zeolites has not been reported. The experiments were conducted on smaller alcohols such as methanol, ethanol and 1-propanol over HZSM5. The experimental results on the catalyst activity and the catalyst deactivation mechanism will be discussed.

  6. New Catalysts for Direct Methanol Oxidation Fuel Cells

    SciTech Connect (OSTI)

    Adzic, Radoslav

    1998-08-01

    A new class of efficient electrocatalytic materials based on platinum - metal oxide systems has been synthetized and characterized by several techniques. Best activity was found with NiWO{sub 4}-, CoWO{sub 4}-, and RuO{sub 2}- srpported platinum catalysts. A very similar activity at room temperature was observed with the electrodes prepared with the catalyst obtained from International Fuel Cells Inc. for the same Pt loading. Surprisingly, the two tungstates per se show a small activity for methanol oxidation without any Pt loading. Synthesis of NiWO{sub 4} and CoWO{sub 4} were carried out by solid-state reactions. FTIR spectroscopy shows that the tungstates contain a certain amount of physically adsorbed water even after heating samples at 200{degrees}C. A direct relationship between the activity for methanol oxidation and the amount of adsorbed water on those oxides has been found. The Ru(0001) single crystal shows a very small activity for CO adsorption and oxidation, in contrast to the behavior of polycrystalline Ru. In situ extended x-ray absorption fine structure spectroscopy (EXAFS) and x-ray absorption near edge spectroscopy (XANES) showed that the OH adsorption on Ru in the Pt-Ru alloy appears to be the limiting step in methanol oxidation. This does not occur for Pt-RuO{SUB 2} electrocatalyst, which explains its advantages over the Pt-Ru alloys. The IFCC electrocatalyst has the properties of the Pt-Ru alloy.

  7. Unbiased water and methanol maser surveys of NGC 1333

    SciTech Connect (OSTI)

    Lyo, A-Ran; Kim, Jongsoo; Byun, Do-Young; Lee, Ho-Gyu

    2014-11-01

    We present the results of unbiased 22 GHz H{sub 2}O water and 44 GHz class I CH{sub 3}OH methanol maser surveys in the central 7' 10' area of NGC 1333 and two additional mapping observations of a 22 GHz water maser in a ?3' 3' area of the IRAS4A region. In the 22 GHz water maser survey of NGC 1333 with a sensitivity of ? ? 0.3 Jy, we confirmed the detection of masers toward H{sub 2}O(B) in the region of HH 7-11 and IRAS4B. We also detected new water masers located ?20'' away in the western direction of IRAS4B or ?25'' away in the southern direction of IRAS4A. We could not, however, find young stellar objects or molecular outflows associated with them. They showed two different velocity components of ?0 and ?16 km s{sup 1}, which are blue- and redshifted relative to the adopted systemic velocity of ?7 km s{sup 1} for NGC 1333. They also showed time variabilities in both intensity and velocity from multi-epoch observations and an anti-correlation between the intensities of the blue- and redshifted velocity components. We suggest that the unidentified power source of these masers might be found in the earliest evolutionary stage of star formation, before the onset of molecular outflows. Finding this kind of water maser is only possible through an unbiased blind survey. In the 44 GHz methanol maser survey with a sensitivity of ? ? 0.5 Jy, we confirmed masers toward IRAS4A2 and the eastern shock region of IRAS2A. Both sources are also detected in 95 and 132 GHz methanol maser lines. In addition, we had new detections of methanol masers at 95 and 132 GHz toward IRAS4B. In terms of the isotropic luminosity, we detected methanol maser sources brighter than ?5 10{sup 25} erg s{sup 1} from our unbiased survey.

  8. Interaction of alkanes with an amorphous methanol film at 15-180 K

    SciTech Connect (OSTI)

    Souda, Ryutaro

    2005-09-15

    The hydrogen-bond imperfections and glass-liquid transition of the amorphous methanol film have been investigated on the basis of the film dewetting and the incorporation/desorption of alkane molecules adsorbed on the surface. The butane is incorporated completely in the bulk of the porous methanol film up to 70 K. At least two distinct states exist for the incorporated butane; one is assignable to solvated molecules in the bulk and the other is weakly bound species at the surface or in the subsurface site. For the nonporous methanol film, the uptake of butane in the bulk is quenched but butane forms a surface complex with methanol above 80 K. The butane incorporated in the bulk of the glassy methanol film is released at 120 K, where dewetting of the methanol film occurs simultaneously due to evolution of the supercooled liquid phase.

  9. Intercooling effects of methanol on turbocharged diesel engine performance and exhaust emissions

    SciTech Connect (OSTI)

    Saito, T.; Daisho, Y.; Aoki, Y.; Kawase, N.

    1984-01-01

    From the viewpoint of utilizing methanol fuel in an automotive turbocharged direct-injection diesel engine, an intercooling system supplying liquid methanol has been devised and its effects on engine performance and exhaust gas emissions have been investigated. With an electronically controlled injector in this system, methanol as a supplementary fuel to diesel fuel can be injected into the intake pipe in order to intercool a hot air charge compressed by the turbocharger. It has been confirmed that especially at heavy load conditions, methanol-intercooling can yield a higher thermal efficiency, and lower nox and smoke emissions simultaneously, compared with three other cases without using methanol: natural aspiration and the cases with and without an ordinary intercooler. However, methanol fueling must be avoided at lower loads since sacrifices in efficiency and hydrocarbon emissions are involved.

  10. Dimethyl ether production from methanol and/or syngas

    DOE Patents [OSTI]

    Dagle, Robert A; Wang, Yong; Baker, Eddie G; Hu, Jianli

    2015-02-17

    Disclosed are methods for producing dimethyl ether (DME) from methanol and for producing DME directly from syngas, such as syngas from biomass. Also disclosed are apparatus for DME production. The disclosed processes generally function at higher temperatures with lower contact times and at lower pressures than conventional processes so as to produce higher DME yields than do conventional processes. Certain embodiments of the processes are carried out in reactors providing greater surface to volume ratios than the presently used DME reactors. Certain embodiments of the processes are carried out in systems comprising multiple microchannel reactors.

  11. STATISTICAL PROPERTIES OF 12.2 GHz METHANOL MASERS ASSOCIATED WITH A COMPLETE SAMPLE OF 6.7 GHz METHANOL MASERS

    SciTech Connect (OSTI)

    Breen, S. L.; Caswell, J. L.; Green, J. A.; Voronkov, M. A.; Ellingsen, S. P.; Fuller, G. A.; Quinn, L. J.; Avison, A.

    2011-06-01

    We present definitive detection statistics for 12.2 GHz methanol masers toward a complete sample of 6.7 GHz methanol masers detected in the Methanol Multibeam survey south of declination -20{sup 0}. In total, we detect 250 12.2 GHz methanol masers toward 580 6.7 GHz methanol masers. This equates to a detection rate of 43.1%, which is lower than that of previous significant searches of comparable sensitivity. Both the velocity ranges and the flux densities of the target 6.7 GHz sources surpass that of their 12.2 GHz companion in almost all cases. Eighty percent of the detected 12.2 GHz methanol maser peaks are coincident in velocity with the 6.7 GHz maser peak. Our data support an evolutionary scenario whereby the 12.2 GHz sources are associated with a somewhat later evolutionary stage than the 6.7 GHz sources devoid of this transition. Furthermore, we find that the 6.7 GHz and 12.2 GHz methanol sources increase in luminosity as they evolve. In addition to this, evidence for an increase in velocity range with evolution is presented. This implies that it is not only the luminosity but also the volume of gas conducive to the different maser transitions that increases as the sources evolve. Comparison with GLIMPSE mid-infrared sources has revealed a coincidence rate between the locations of the 6.7 GHz methanol masers and GLIMPSE point sources similar to that achieved in previous studies. Overall, the properties of the GLIMPSE sources with and without 12.2 GHz counterparts are similar. There is a higher 12.2 GHz detection rate toward those 6.7 GHz methanol masers that are coincident with extended green objects.

  12. Desorption Kinetics of Methanol, Ethanol, and Water from Graphene

    SciTech Connect (OSTI)

    Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

    2014-09-18

    The desorption kinetics of methanol, ethanol, and water from graphene covered Pt(111) are investigated. The temperature programmed desorption (TPD) spectra for both methanol and ethanol have well-resolved first, second, third, and multilayer layer desorption peaks. The alignment of the leading edges is consistent with zero-order desorption kinetics from all layers. In contrast, for water the first and second layers are not resolved. At low water coverages (< 1 ML) the initial desorption leading edges are aligned but then fall out of alignment at higher temperatures. For thicker water layers (10 to 100 ML), the desorption leading edges are in alignment throughout the desorption of the film. The coverage dependence of the desorption behavoir suggests that at low water coverages the non-alignment of the desorption leading edges is due to water dewetting from the graphene substrate. Kinetic simulations reveal that the experimental results are consistent with zero-order desorption. The simulations also show that fractional order desorption kinetics would be readily apparent in the experimental TPD spectra.

  13. Solvent Exchange in Liquid Methanol and Rate Theory

    SciTech Connect (OSTI)

    Dang, Liem X.; Schenter, Gregory K.

    2016-01-01

    To enhance our understanding of the solvent exchange mechanism in liquid methanol, we report a systematic study of this process using molecular dynamics simulations. We use transition state theory, the Impey-Madden-McDonald method, the reactive flux method, and Grote-Hynes theory to compute the rate constants for this process. Solvent coupling was found to dominate, resulting in a significantly small transmission coefficient. We predict a positive activation volume for the methanol exchange process. The essential features of the dynamics of the system as well as the pressure dependence are recovered from a Generalized Langevin Equation description of the dynamics. We find that the dynamics and response to anharmonicity can be decomposed into two time regimes, one corresponding to short time response (< 0.1 ps) and long time response (> 5 ps). An effective characterization of the process results from launching dynamics from the planar hypersurface corresponding to Grote-Hynes theory. This results in improved numerical convergence of correlation functions. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

  14. 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.

  15. Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications

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

    Polyvinylidene Fluoride-Based Membranes for Direct Methanol Fuel Cell Applications Wensheng He, David Mountz, Tao Zhang, Chris Roger July 17, 2012 2 Outline Background on Arkema's polyvinylidene fluoride (PVDF) blend membrane technology Overview of membrane properties and performance Summary 3 Membrane Technology Polymer Blend * Kynar ® PVDF * Chemical and electrochemical stability * Mechanical strength * Excellent barrier against methanol * Polyelectrolyte * H + conduction and water uptake

  16. Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite

    DOE Patents [OSTI]

    Tierney, John W. (Pittsburgh, PA); Wender, Irving (Pittsburgh, PA); Palekar, Vishwesh M. (Pittsburgh, PA)

    1995-01-01

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  17. Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite

    DOE Patents [OSTI]

    Tierney, J.W.; Wender, I.; Palekar, V.M.

    1995-01-24

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100--160 C and the pressure range of 40--65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H[sub 2]/CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  18. Direct Methanol Fuel Cell Prototype Demonstration for Consumer Electronics Applications

    SciTech Connect (OSTI)

    Carlstrom, Charles, M., Jr.

    2009-07-07

    This report is the final technical report for DOE Program DE-FC36-04GO14301 titled Direct Methanol Fuel Cell Prototype Demonstration for Consumer Electronics Applications. Due to the public nature of this report some of the content reported in confidential reports and meetings to the DOE is not covered in detail in this report and some of the content has been normalized to not show actual values. There is a comparison of the projects accomplishments with the objectives, an overview of some of the key subsystem work, and a review of the three levels of prototypes demonstrated during the program. There is also a description of the eventual commercial product and market this work is leading towards. The work completed under this program has significantly increased the understanding of how Direct Methanol Fuel Cells (DMFC) can be deployed successfully to power consumer electronic devices. The prototype testing has demonstrated the benefits a direct methanol fuel cell system has over batteries typically used for powering consumer electronic devices. Three generations of prototypes have been developed and tested for performance, robustness and life. The technologies researched and utilized in the fuel cell stack and related subsystems for these prototypes are leveraged from advances in other industries such as the hydrogen fueled PEM fuel cell industry. The work under this program advanced the state of the art of direct methanol fuel cells. The system developed by MTI micro fuel cells aided by this program differs significantly from conventional DMFC designs and offers compelling advantages in the areas of performance, life, size, and simplicity. The program has progressed as planned resulting in the completion of the scope of work and available funding in December 2008. All 18 of the final P3 prototypes builds have been tested and the results showed significant improvements over P2 prototypes in build yield, initial performance, and durability. The systems have demonstrated robust operation when tested at various orientations, temperatures, and humidity levels. Durability testing has progressed significantly over the course of the program. MEA, engine, and system level steady state testing has demonstrated degradation rates acceptable for initial product introduction. Test duration of over 5000 hrs has been achieved at both the MEA and breadboard system level. P3 level prototype life testing on engines (stacks with reactant conditioning) showed degradation rates comparable to carefully constructed lab fixtures. This was a major improvement over the P2 and P1 engine designs, which exhibited substantial reductions in life and performance between the lab cell and the actual engine. Over the course of the work on the P3 technology set, a platform approach was taken to the system design. By working in this direction, a number of product iterations with substantial market potential were identified. Although the main effort has been the development of a prototype charger for consumer electronic devices, multiple other product concepts were developed during the program showing the wide variety of potential applications.

  19. Palladium catalysts synthesized by atomic layer deposition for methanol decomposition.

    SciTech Connect (OSTI)

    Elam, J. W.; Feng, H.; Stair, P. C.; Libera, J. A.; Setthapun, W.; Northwestern Univ.

    2010-05-25

    Atomic layer deposition (ALD) palladium films were deposited at 200 C on various ALD metal oxide surfaces using sequential exposures to Pd(II) hexafluoroacetylacetonate (Pd(hfac)2) and formalin. In situ quartz crystal microbalance measurements as well as ex situ measurements performed on planar substrates revealed that the Pd growth begins with a relatively slow nucleation process and accelerates once an adequate amount of Pd has deposited on the surface. Furthermore, the Pd nucleation is faster on ALD ZnO surfaces compared to ALD Al2O3 surfaces. ALD was utilized to synthesize highly dispersed, uniform Pd nanoparticles (1 to 2 nm in diameter) on ALD ZnO and Al2O3 coated mesoporous silica gel, and the catalytic performances of these samples were compared in the methanol decomposition reaction. The ALD Pd-Al2O3 showed high activity and hydrogen selectivity at relatively low temperatures while the ALD Pd-ZnO showed very low activity as well as quick deactivation. In situ extended X-ray absorption fine structure (EXAFS) measurement revealed that the Pd supported on ZnO 'dissolves' into the substrate during the methanol decomposition reaction which accounts for the gradual disappearance of its catalytic activity. By applying one cycle of ALD Al2O3 on top of the Pd-ZnO catalyst, the activity was enhanced and the catalyst deactivation was mitigated. This Al2O3 overcoating method stabilizes the Pd-ZnO and effectively prevents the dissolution of Pd into the ZnO substrate.

  20. DETECTION OF A METHANOL MEGAMASER IN A MAJOR-MERGER GALAXY

    SciTech Connect (OSTI)

    Chen, Xi; Baan, Willem A.; Qiao, Hai-Hua; Li, Juan; An, Tao; Ellingsen, Simon P.; Breen, Shari L.

    2015-02-10

    We have detected emission from both the 4{sub ?1}?3{sub 0} E (36.2 GHz) class I and 7{sub ?2}?8{sub ?1} E (37.7 GHz) class II methanol transitions toward the center of the closest ultra-luminous infrared galaxy Arp 220. The emission in both methanol transitions shows narrow spectral features and has luminosities approximately 8 orders of magnitude stronger than those observed from typical class I methanol masers observed in Galactic star formation regions. The emission is also orders of magnitude stronger than the expected intensity of thermal emission from these transitions and based on these findings we suggest that the emission from the two transitions are masers. These observations provide the first detection of a methanol megamaser in the 36.2 and 37.7 GHz transitions and represent only the second detection of a methanol megamaser, following the recent report of an 84 GHz methanol megamaser in NGC 1068. We find that the methanol megamasers are significantly offset from the nuclear region and arise toward regions where there is H? emission, suggesting that they are associated with starburst activity. The high degree of correlation between the spatial distribution of the 36.2 GHz methanol and X-ray plume emission suggests that the production of strong extragalactic class I methanol masers is related to galactic-outflow-driven shocks and perhaps cosmic rays. In contrast to OH and H{sub 2}O megamasers which originate close to the nucleus, methanol megamasers provide a new probe of feedback (e.g., outflows) processes on larger scales and of star formation beyond the circumnuclear starburst regions of active galaxies.

  1. Electron-Stimulated Reactions and O-2 Production in Methanol-Covered Amorphous Solid Water Films

    SciTech Connect (OSTI)

    Akin, Minta C.; Petrik, Nikolay G.; Kimmel, Gregory A.

    2009-03-14

    The low-energy, electron-stimulated desorption (ESD) of molecular products from amorphous solid water (ASW) films capped with methanol is investigated versus methanol coverage (0 - 4 x 1015 cm-2) at 50 K using 100 eV incident electrons. The major ESD products from a monolayer of methanol on ASW are quite similar to the ESD products from bulk methanol film: H2, CH4, H2O, C2H6, CO, CH2O, and CH3OH. For 40 ML ASW films, the molecular oxygen, hydrogen, and water ESD yields from the ASW are suppressed with increasing methanol coverage, while the CH3OH ESD yield increases proportionally to the methanol coverage. The suppression of the water ESD products by methanol is consistent with the non-thermal reactions occurring preferentially at or near the ASW/vacuum interface and not in the interior of the film. The water and molecular hydrogen ESD yields from the water layer decrease exponentially with the methanol cap coverage with 1/e constants of ~ 0.6 x 1015 cm-2 and 1.6 x 1015 cm-2, respectively. In contrast, the O2 ESD from the water layer is very efficiently quenched by small amounts of methanol (1/e ~ 6.5 x 1013 cm-2). The rapid suppression of O2 production by small amounts of methanol is due to reactions between CH3OH and the precursors for the O2 - mainly OH radicals. A kinetic model for the O2 ESD which semi-quantitatively accounts for the observations is presented.

  2. Recovery Act: Advanced Direct Methanol Fuel Cell for Mobile Computing

    SciTech Connect (OSTI)

    Fletcher, James H.; Cox, Philip; Harrington, William J; Campbell, Joseph L

    2013-09-03

    ABSTRACT Project Title: Recovery Act: Advanced Direct Methanol Fuel Cell for Mobile Computing PROJECT OBJECTIVE The objective of the project was to advance portable fuel cell system technology towards the commercial targets of power density, energy density and lifetime. These targets were laid out in the DOE’s R&D roadmap to develop an advanced direct methanol fuel cell power supply that meets commercial entry requirements. Such a power supply will enable mobile computers to operate non-stop, unplugged from the wall power outlet, by using the high energy density of methanol fuel contained in a replaceable fuel cartridge. Specifically this project focused on balance-of-plant component integration and miniaturization, as well as extensive component, subassembly and integrated system durability and validation testing. This design has resulted in a pre-production power supply design and a prototype that meet the rigorous demands of consumer electronic applications. PROJECT TASKS The proposed work plan was designed to meet the project objectives, which corresponded directly with the objectives outlined in the Funding Opportunity Announcement: To engineer the fuel cell balance-of-plant and packaging to meet the needs of consumer electronic systems, specifically at power levels required for mobile computing. UNF used existing balance-of-plant component technologies developed under its current US Army CERDEC project, as well as a previous DOE project completed by PolyFuel, to further refine them to both miniaturize and integrate their functionality to increase the system power density and energy density. Benefits of UNF’s novel passive water recycling MEA (membrane electrode assembly) and the simplified system architecture it enabled formed the foundation of the design approach. The package design was hardened to address orientation independence, shock, vibration, and environmental requirements. Fuel cartridge and fuel subsystems were improved to ensure effective fuel containment. PROJECT OVERVIEW The University of North Florida (UNF), with project partner the University of Florida, recently completed the Department of Energy (DOE) project entitled “Advanced Direct Methanol Fuel Cell for Mobile Computing”. The primary objective of the project was to advance portable fuel cell system technology towards the commercial targets as laid out in the DOE R&D roadmap by developing a 20-watt, direct methanol fuel cell (DMFC), portable power supply based on the UNF innovative “passive water recovery” MEA. Extensive component, sub-system, and system development and testing was undertaken to meet the rigorous demands of the consumer electronic application. Numerous brassboard (nonpackaged) systems were developed to optimize the integration process and facilitating control algorithm development. The culmination of the development effort was a fully-integrated, DMFC, power supply (referred to as DP4). The project goals were 40 W/kg for specific power, 55 W/l for power density, and 575 Whr/l for energy density. It should be noted that the specific power and power density were for the power section only, and did not include the hybrid battery. The energy density is based on three, 200 ml, fuel cartridges, and also did not include the hybrid battery. The results show that the DP4 system configured without the methanol concentration sensor exceeded all performance goals, achieving 41.5 W/kg for specific power, 55.3 W/l for power density, and 623 Whr/l for energy density. During the project, the DOE revised its technical targets, and the definition of many of these targets, for the portable power application. With this revision, specific power, power density, specific energy (Whr/kg), and energy density are based on the total system, including fuel tank, fuel, and hybridization battery. Fuel capacity is not defined, but the same value is required for all calculations. Test data showed that the DP4 exceeded all 2011 Technical Status values; for example, the DP4 energy density was 373 Whr/l versus the DOE 2011 status of 200 Whr/l. For the DOE 2013 Technical Goals, the operation time was increased from 10 hours to 14.3 hours. Under these conditions, the DP4 closely approached or surpassed the technical targets; for example, the DP4 achieved 468 Whr/l versus the goal of 500 Whr/l. Thus, UNF has successfully met the project goals. A fully-operational, 20-watt DMFC power supply was developed based on the UNF passive water recovery MEA. The power supply meets the project performance goals and advances portable power technology towards the commercialization targets set by the DOE.

  3. Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-11-03

    Molecular and dissociative methanol adsorption species were prepared on rutile TiO2(110) surfaces to study photocatalytic oxidation of methanol in ultrahigh vacuum (UHV) using temperature-programmed desorption (TPD). Adsorbed methoxy groups (CH3O-) were found to be the photoactive form of adsorbed methanol converted to adsorbed formaldehyde and a surface OH group by hole-mediated C-H bond cleavage. These results suggest that adsorbed methoxy is the effective hole scavenger in photochemical reactions involving methanol.

  4. A 95 GHz CLASS I METHANOL MASER SURVEY TOWARD GLIMPSE EXTENDED GREEN OBJECTS (EGOs)

    SciTech Connect (OSTI)

    Chen Xi; Shen Zhiqiang; Gan Conggui; Ellingsen, Simon P.; Titmarsh, Anita

    2011-09-01

    We report the results of a systematic survey for 95 GHz class I methanol masers toward a new sample of 192 massive young stellar object candidates associated with ongoing outflows (known as extended green objects or EGOs) identified from the Spitzer Galactic Legacy Infrared Mid-Plane Survey Extraordinaire (GLIMPSE) survey. The observations were made with the Australia Telescope National Facility (ATNF) Mopra 22 m radio telescope and resulted in the detection of 105 new 95 GHz class I methanol masers. For 92 of the sources our observations provide the first identification of a class I maser transition associated with these objects (i.e., they are new class I methanol maser sources). Our survey proves that there is indeed a high detection rate (55%) of class I methanol masers toward EGOs. Comparison of the GLIMPSE point sources associated with EGOs with and without class I methanol maser detections shows that they have similar mid-IR colors, with the majority meeting the color selection criteria -0.6 < [5.8]-[8.0] < 1.4 and 0.5 < [3.6]-[4.5] < 4.0. Investigations of the Infrared Array Camera and Multiband Imaging Photometer for Spitzer 24 {mu}m colors and the associated millimeter dust clump properties (mass and density) of the EGOs for the sub-samples based on the class of methanol masers they are associated with suggest that the stellar mass range associated with class I methanol masers extends to lower masses than for class II methanol masers, or alternatively class I methanol masers may be associated with more than one evolutionary phase during the formation of a high-mass star.

  5. THE ROLE OF METHANOL IN THE CRYSTALLIZATION OF TITAN'S PRIMORDIAL OCEAN

    SciTech Connect (OSTI)

    Deschamps, Frederic; Mousis, Olivier; Lunine, Jonathan I.

    2010-12-01

    A key parameter that controls the crystallization of primordial oceans in large icy moons is the presence of anti-freeze compounds, which may have maintained primordial oceans over the age of the solar system. Here we investigate the influence of methanol, a possible anti-freeze candidate, on the crystallization of Titan's primordial ocean. Using a thermodynamic model of the solar nebula and assuming a plausible composition of its initial gas phase, we first calculate the condensation sequence of ices in Saturn's feeding zone, and show that in Titan's building blocks methanol can have a mass fraction of {approx}4 wt% relative to water, i.e., methanol can be up to four times more abundant than ammonia. We then combine available data on the phase diagram of the water-methanol system and scaling laws derived from thermal convection to estimate the influence of methanol on the dynamics of the outer ice I shell and on the heat transfer through this layer. For a fraction of methanol consistent with the building blocks composition we determined, the vigor of convection in the ice I shell is strongly reduced. The effect of 5 wt% methanol is equivalent to that of 3 wt% ammonia. Thus, if methanol is present in the primordial ocean of Titan, the crystallization may stop, and a sub-surface ocean may be maintained between the ice I and high-pressure ice layers. A preliminary estimate indicates that the presence of 4 wt% methanol and 1 wt% ammonia may result in an ocean of thickness at least 90 km.

  6. Mechanistic study of methanol synthesis from CO₂ and H₂ on a modified

    Office of Scientific and Technical Information (OSTI)

    model Mo₆S₈ cluster (Journal Article) | SciTech Connect Mechanistic study of methanol synthesis from CO₂ and H₂ on a modified model Mo₆S₈ cluster Citation Details In-Document Search Title: Mechanistic study of methanol synthesis from CO₂ and H₂ on a modified model Mo₆S₈ cluster We report the methanol synthesis from CO₂ and H₂ on metal (M = K, Ti, Co, Rh, Ni, and Cu)-modified model Mo₆S₈ catalyst using density functional theory (DFT). The results show that the

  7. Pulse radiolysis studies of solvated electrons in supercritical ethane with methanol as cosolvent.

    SciTech Connect (OSTI)

    Dimitrijevic, N. M.; Takahashi, K.; Bartels, D. M.; Jonah, C. D.; Chemistry

    2001-08-02

    Pulse radiolysis has been used to study the solvated electron in supercritical ethane with methanol as a cosolvent. These measurements give information about the liquid structure of the cosolvent in these systems. The results show that at temperatures below 110 {sup o}C, there are high local concentrations of alcohol molecules (clusters), which are capable of solvating an electron. The agglomeration number of methanol clusters depends on mole fraction of alcohol at a fixed temperature. Addition of salts increases the size of methanol clusters.

  8. Visible absorption spectra of crystal violet in supercritical ethane - methanol solution.

    SciTech Connect (OSTI)

    Dimitrijevic, N. M.; Takahashi, K.; Jonah, C. D.; Chemistry

    2002-11-01

    The effects of concentration and mole fraction of methanol in supercritical ethane on the absorption spectra of crystal violet (CV) were examined. Keeping the concentration of CV in the cell constant at 50 {mu}mol l{sup -1}, both the methanol concentration (from 0.4 to 1.2 mol l{sup -1}) and pressure of ethane (from 60 to 150 bar) were varied. The degree of solvation of CV depends both on the mole fraction and concentration of cosolvent. The dimerization of CV was found to decrease with pressure, and with the ratio between methanol and CV concentrations.

  9. Improvement of performance and emissions of a compression ignition methanol engine with dimethyl ether

    SciTech Connect (OSTI)

    Guo, J.; Chikahisa, Takemi; Murayama, Tadashi; Miyano, Masaharu

    1994-10-01

    Dimethyl ether (DME) has very good compression ignition characteristics and can be converted from methanol using a {gamma}-alumina catalyst. In this study a torch ignition chamber (TIC) head with TIC close to the center of the main combustion chamber was designed for the TIC method. The possibility of improvements in reducing the quantities of DME and emission were investigated by optimizing the TIC position, methanol injection timing, DME injection timing, and intake and exhaust throttling. It was found that the necessary amount of DME was greatly reduced when optimizing methanol and DME injection timings. 2 refs., 16 figs., 1 tab.

  10. SHAPE SELECTIVE NANOCATALYSTS FOR DIRECT METHANOL FUEL CELL APPLICATIONS

    SciTech Connect (OSTI)

    Murph, S.

    2012-09-12

    While gold and platinum have long been recognized for their beauty and value, researchers at the Savannah River National Laboratory (SRNL) are working on the nano-level to use these elements for creative solutions to our nation's energy and security needs. Multiinterdisciplinary teams consisting of chemists, materials scientists, physicists, computational scientists, and engineers are exploring unchartered territories with shape-selective nanocatalysts for the development of novel, cost effective and environmentally friendly energy solutions to meet global energy needs. This nanotechnology is vital, particularly as it relates to fuel cells.SRNL researchers have taken process, chemical, and materials discoveries and translated them for technological solution and deployment. The group has developed state-of-the art shape-selective core-shell-alloy-type gold-platinum nanostructures with outstanding catalytic capabilities that address many of the shortcomings of the Direct Methanol Fuel Cell (DMFC). The newly developed nanostructures not only busted the performance of the platinum catalyst, but also reduced the material cost and overall weight of the fuel cell.

  11. WATER AND METHANOL MASER ACTIVITIES IN THE NGC 2024 FIR 6 REGION

    SciTech Connect (OSTI)

    Choi, Minho; Kang, Miju; Byun, Do-Young; Lee, Jeong-Eun

    2012-11-10

    The NGC 2024 FIR 6 region was observed in the water maser line at 22 GHz and the methanol class I maser lines at 44, 95, and 133 GHz. The water maser spectra displayed several velocity components and month-scale time variabilities. Most of the velocity components may be associated with FIR 6n, while one component was associated with FIR 4. A typical lifetime of the water maser velocity components is about eight months. The components showed velocity fluctuations with a typical drift rate of about 0.01 km s{sup -1} day{sup -1}. The methanol class I masers were detected toward FIR 6. The methanol emission is confined within a narrow range around the systemic velocity of the FIR 6 cloud core. The methanol masers suggest the existence of shocks driven by either the expanding H II region of FIR 6c or the outflow of FIR 6n.

  12. Surface-Bound Intermediates in Low-Temperature Methanol Synthesis on Copper. Participants and Spectators

    SciTech Connect (OSTI)

    Yang, Yong; Mei, Donghai; Peden, Charles H.F.; Campbell, Charles T.; Mims, Charles A.

    2015-11-03

    The reactivity of surface adsorbed species present on copper catalysts during methanol synthesis at low temperatures was studied by simultaneous infrared spectroscopy (IR) and mass spectroscopy (MS) measurements during “titration” (transient surface reaction) experiments with isotopic tracing. The results show that adsorbed formate is a major bystander species present on the surface under steady-state methanol synthesis reaction conditions, but it cannot be converted to methanol by reaction with pure H2, nor with H2 plus added water. Formate-containing surface adlayers for these experiments were produced during steady state catalysis in (a) H2:CO2 (with substantial formate coverage) and (b) moist H2:CO (with no IR visible formate species). Both these reaction conditions produce methanol at steady state with relatively high rates. Adlayers containing formate were also produced by (c) formic acid adsorption. Various "titration" gases were used to probe these adlayers at modest temperatures (T = 410-450K) and 6 bar total pressure. Methanol gas (up to ~1% monolayer equivalent) was produced in "titration" from the H2:CO2 catalytic adlayers by H2 plus water, but not by dry hydrogen. The decay in the formate IR features accelerated in the presence of added water vapor. The H2:CO:H2O catalytic adlayer produced similar methanol titration yields in H2 plus water but showed no surface formate features in IR (less than 0.2% monolayer coverage). Finally, formate from formic acid chemisorption produced no methanol under any titration conditions. Even under (H2:CO2) catalytic reaction conditions, isotope tracing showed that pre-adsorbed formate from formic acid did not contribute to the methanol produced. Although non-formate intermediates exist during low temperature methanol synthesis on copper which can be converted to methanol gas by titration with pure H2 plus water in sufficient quantities for that intermediate to be observable by IR, formate itself is only a "spectator" in this reaction and gives no observable methanol upon any titration we performed with H2 or H2 plus water.

  13. A SEARCH FOR 95 GHz CLASS I METHANOL MASERS IN MOLECULAR OUTFLOWS

    SciTech Connect (OSTI)

    Gan, Cong-Gui; Chen, Xi; Shen, Zhi-Qiang; Xu, Ye; Ju, Bing-Gang

    2013-01-20

    We have observed a sample of 288 molecular outflow sources including 123 high-mass and 165 low-mass sources in order to search for class I methanol masers at the 95 GHz transition and to investigate the relationship between outflow characteristics and class I methanol maser emission with the Purple Mountain Observatory 13.7 m radio telescope. Our survey detected 62 sources with 95 GHz methanol masers above a 3{sigma} detection limit, which includes 47 high-mass sources and 15 low-mass sources. Therefore, the detection rate is 38% for high-mass outflow sources and 9% for low-mass outflow sources, suggesting that class I methanol masers are relatively easily excited in high-mass sources. There are 37 newly detected 95 GHz methanol masers (including 27 high-mass and 10 low-mass sources), 19 of which are newly identified (i.e., first identification) class I methanol masers (including 13 high-mass and 6 low-mass sources). A statistical analysis of the distributions of maser detections with the outflow parameters reveals that the maser detection efficiency increases with the outflow properties (e.g., mass, momentum, kinetic energy, mechanical luminosity of outflows, etc.). Systematic investigations of the relationships between the intrinsic luminosity of methanol masers and the outflow properties (including mass, momentum, kinetic energy, bolometric luminosity, and mass-loss rate of the central stellar sources) indicate a positive correlation. This further supports the theory that class I methanol masers are collisionally pumped and associated with shocks when outflows interact with the surrounding ambient medium.

  14. Computational study of ion distributions at the air/liquid methanol interface

    SciTech Connect (OSTI)

    Sun, Xiuquan; Wick, Collin D.; Dang, Liem X.

    2011-06-16

    Molecular dynamic simulations with polarizable potentials were performed to systematically investigate the distribution of NaCl, NaBr, NaI, and SrCl2 at the air/liquid methanol interface. The density profiles indicated that there is no substantial enhancement of anions at the interface for the NaX systems in contrast to what was observed at the air/aqueous interface. The surfactant-like shape of the larger more polarizable halide anions is compensated by the surfactant nature of methanol itself. As a result, methanol hydroxy groups strongly interacted with one side of polarizable anions, in which their induced dipole points, and methanol methyl groups were more likely to be found near the positive pole of anion induced dipoles. Furthermore, salts were found to disrupt the surface structure of methanol, reducing the observed enhancement of methyl groups at the outer edge of the air/liquid methanol interface. With the additional of salts to methanol, the computed surface potentials increased, which is in contrast to what is observed in corresponding aqueous systems, where the surface potential decreases with the addition of salts. Both of these trends have been indirectly observed with experiments. This was found to be due to the propensity of anions for the air/water interface that is not present at the air/liquid methanol interface. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  15. An ecosystem-scale perspective of the net land methanol flux: synthesis of

    Office of Scientific and Technical Information (OSTI)

    micrometeorological flux measurements (Journal Article) | SciTech Connect An ecosystem-scale perspective of the net land methanol flux: synthesis of micrometeorological flux measurements Citation Details In-Document Search Title: An ecosystem-scale perspective of the net land methanol flux: synthesis of micrometeorological flux measurements We present field observations made in June 2011 downwind of Dallas-Fort Worth, TX, and evaluate the role of stabilized Criegee radicals (sCIs) in gaseous

  16. Methanol as an alternative transportation fuel in the U.S.

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Methanol as an alternative transportation fuel in the US: Options for sustainable and/or energy-secure transportation L. Bromberg and W.K. Cheng Prepared by the Sloan Automotive Laboratory Massachusetts Institute of Technology Cambridge MA 02139 September 27, 2010 Finalized November 2, 2010 Revised November 28, 2010 Final report UT-Battelle Subcontract Number:4000096701 1 Abstract Methanol has been promoted as an alternative transportation fuel from time to time over the past forty years. In

  17. Methanol production from eucalyptus wood chips. Attachment III. Florida's eucalyptus energy farm and methanol refinery: the background environment

    SciTech Connect (OSTI)

    Fishkind, H.H.

    1982-04-01

    A wide array of general background information is presented on the Central Florida area in which the eucalyptus energy plantation and methanol refinery will be located. Five counties in Central Florida may be affected by the project, DeSoto, Hardee, Hillsborough, Manatee, and Polk. The human resources of the area are reviewed. Included are overviews of population demographic and economic trends. Land use patterns and the transportation are system described, and the region's archeological and recreational resources are evaluated. The region's air quality is emphasized. The overall climate is described along with noise and air shed properties. An analysis of the region's water resources is included. Ground water is discussed first followed by an analysis of surface water. Then the overall quality and water supply/demand balance for the area is evaluated. An overview of the region's biota is presented. Included here are discussions of the general ecosystems in Central Florida, and an analysis of areas with important biological significance. Finally, land resources are examined.

  18. Energy balances in the production and end-use of methanol derived from coal

    SciTech Connect (OSTI)

    1980-12-10

    Analysis is performed for three combinations of fuels, specifically: net petroleum gain (petroleum only); net premium fuel gain (natural gas and petroleum); and net energy gain (includes all fuels; does not include free energy from sun). The base case selected for evaluation was that of an energy-efficient coal-to-methanol plant located in Montana/Wyoming and using the Lurgi conversion process. The following variations of the base coal-methanol case are also analyzed: gasoline from coal with methanol as an intermediate step (Mobil-M); and methanol from coal (Texaco gasification process). For each process, computations are made for the product methanol as a replacement for unleaded gasoline in a conventional spark ignition engine and as a chemical feedstock. For the purpose of the energy analysis, computations are made for three situations regarding mileage of methanol/ gasoline compared to that of regular unleaded gasoline: mileage of the two fuels equal, mileage 4 percent better with gasohol, and mileage 4 percent worse with gasohol. The standard methodology described for the base case applies to all of the variations.

  19. OBSERVATIONAL CONSTRAINTS ON METHANOL PRODUCTION IN INTERSTELLAR AND PREPLANETARY ICES

    SciTech Connect (OSTI)

    Whittet, D. C. B.; Cook, A. M.; Herbst, Eric; Chiar, J. E.; Shenoy, S. S.

    2011-11-20

    Methanol (CH{sub 3}OH) is thought to be an important link in the chain of chemical evolution that leads from simple diatomic interstellar molecules to complex organic species in protoplanetary disks that may be delivered to the surfaces of Earthlike planets. Previous research has shown that CH{sub 3}OH forms in the interstellar medium predominantly on the surfaces of dust grains. To enhance our understanding of the conditions that lead to its efficient production, we assemble a homogenized catalog of published detections and limiting values in interstellar and preplanetary ices for both CH{sub 3}OH and the other commonly observed C- and O-bearing species, H{sub 2}O, CO, and CO{sub 2}. We use this catalog to investigate the abundance of ice-phase CH{sub 3}OH in environments ranging from dense molecular clouds to circumstellar envelopes around newly born stars of low and high mass. Results show that CH{sub 3}OH production arises during the CO freezeout phase of ice-mantle growth in the clouds, after an ice layer rich in H{sub 2}O and CO{sub 2} is already in place on the dust, in agreement with current astrochemical models. The abundance of solid-phase CH{sub 3}OH in this environment is sufficient to account for observed gas-phase abundances when the ices are subsequently desorbed in the vicinity of embedded stars. CH{sub 3}OH concentrations in the ices toward embedded stars show order-of-magnitude object-to-object variations, even in a sample restricted to stars of low mass associated with ices lacking evidence of thermal processing. We hypothesize that the efficiency of CH{sub 3}OH production in dense cores and protostellar envelopes is mediated by the degree of prior CO depletion.

  20. Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation

    SciTech Connect (OSTI)

    Grabow, Lars C.; Mavrikakis, Manos

    2011-03-04

    We present a comprehensive mean-field microkinetic model for the methanol synthesis and water-gas-shift (WGS) reactions that includes novel reaction intermediates, such as formic acid (HCOOH) and hydroxymethoxy (CH?O?) and allows for the formation of formic acid (HCOOH), formaldehyde (CH?O), and methyl formate (HCOOCH?) as byproducts. All input model parameters were initially derived from periodic, self-consistent, GGA-PW91 density functional theory calculations on the Cu(111) surface and subsequently fitted to published experimentalmethanol synthesis rate data, which were collected under realistic conditions on a commercial Cu/ZnO/Al?O? catalyst. We find that the WGS reaction follows the carboxyl (COOH)-mediated path and that both CO and CO? hydrogenation pathways are active for methanol synthesis. Under typical industrial methanol synthesis conditions, CO? hydrogenation is responsible for ?2/3 of the methanol produced. The intermediates of the CO? pathway for methanol synthesis include HCOO*, HCOOH*, CH?O?*, CH?O*, and CH?O*. The formation of formate (HCOO*) from CO?* and H* on Cu(111) does not involve an intermediate carbonate (CO?*) species, and hydrogenation of HCOO* leads to HCOOH* instead of dioxymethylene (H?CO?*). The effect of CO is not only promotional; CO* is also hydrogenated in significant amounts to HCO*, CH?O *, CH?O*, and CH?OH*. We considered two possibilities for CO promotion: (a) removal of OH* via COOH* to form CO? and hydrogen (WGS), and (b) CO-assisted hydrogenation of various surface intermediates, with HCO* being the H-donor. Only the former mechanism contributes to methanol formation, but its effect is small compared with that of direct CO hydrogenation to methanol. Overall, methanol synthesis rates are limited by methoxy (CH?O*) formation at low CO?/(CO+CO?) ratios and by CH?O* hydrogenation in CO?-rich feeds. CH?O* hydrogenation is the common slow step for both the CO and the CO? methanol synthesis routes; the relative contribution of each route is determined by their respective slow steps HCO*+H*?CH?O*+* and HCOOH*+H*?CH?O?*+* as well as by feed composition and reaction conditions. An analysis of the fitted parameters for a commercial Cu/ZnO/Al?O? catalyst suggests that a more open Cu surface, for example, Cu(110), Cu(100), and Cu(211) partially covered by oxygen, may provide a better model for the active site of methanol synthesis, but our studies cannot exclude a synergistic effect with the ZnO support.

  1. Role of Water in Methanol Photochemistry on Rutile TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2012-08-07

    Photochemistry of the molecularly and dissociatively adsorbed forms of methanol on the vacuum-annealed rutile TiO2(110) surface was explored using temperature programmed desorption (TPD), both with and without coadsorbed water. Methoxy, and not methanol, was confirmed as the photochemically active form of adsorbed methanol on this surface. UV irradiation of methoxy-covered TiO2(110) lead to depletion of the methoxy coverage and formation of formaldehyde and a surface OH group. Coadsorbed water did not promote either molecular methanol photochemistry or thermal decomposition of methanol to methoxy. However, terminal OH groups (OHt), prepared by coadsorption of water and oxygen atoms, thermally converted molecularly adsorbed methanol to methoxy at 120 K, thus enabling photoactivity. While chemisorbed water molecules had no influence on methoxy photochemistry, water molecules hydrogen-bonded in the second layer to bridging oxygen (Obr) sites inhibited the methoxy photodecomposition to formaldehyde. From this we conclude that Obr sites accept protons from the hole-mediated conversion of methoxy to formaldehyde. These results provide new fundamental understanding of the hole-scavenging role of methanol in photochemical processes on TiO2-based materials and how water influences this photochemistry. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle under contract DEAC05-76RL01830. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  2. Importance of Diffusion in Methanol Photochemistry on TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Acharya, Danda P.; Dohnalek, Zdenek; Henderson, Michael A.

    2012-12-06

    The photoactivity of methanol on the rutile TiO2(110) surface is shown to depend on the ability of methanol to diffuse on the surface and find sites active for its thermal dissociation to methoxy. Temperature programmed desorption (TPD) results show that the extent of methanol photodecomposition to formaldehyde is negligible on the clean TiO2(110) surface at 100 K due to a scarcity of sites that can convert (photoinactive) methanol to (photoactive) methoxy. The extent of photoactivity at 100 K significantly increases when methanol is coadsorbed with oxygen, however only those molecules able to adsorb near (next to) a coadsorbed oxygen species are active. Preannealing coadsorbed methanol and oxygen to above 200 K prior to UV irradiation results in a significant increase in photoactivity. Scanning tunneling microscopy (STM) images clearly show that the advent of increased photoactivity in TPD correlates with the onset of methanol diffusion along the surfaces Ti4+ rows at ~200 K. These results demonstrate that optimizing thermal processes (such as diffusion or proton transfer reactions) can be critical to maximizing photocatalytic reactivity on TiO2 surfaces. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle under contract DEAC05-76RL01830. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  3. National Energy Audit (NEAT) | Open Energy Information

    Open Energy Info (EERE)

    apps1.eere.energy.govbuildingstoolsdirectorysoftware.cfmID304pa Cost: Free Language: English References: http:apps1.eere.energy.govbuildingstoolsdirectory...

  4. DETECTION OF 36GHz CLASS I METHANOL MASER EMISSION TOWARD NGC253

    SciTech Connect (OSTI)

    Ellingsen, Simon P.; Chen, Xi; Qiao, Hai-Hua; Baan, Willem; An, Tao; Li, Juan; Breen, Shari L.

    2014-08-01

    We have used the Australia Telescope Compact Array to search for emission from the 4{sub 1} ? 3{sub 0} E transition of methanol (36.2GHz) toward the center of the nearby starburst galaxy NGC253. Two regions of emission were detected, offset from the nucleus along the same position angle as the inner spiral arms. The emission is largely unresolved on a scale of 5'', has a FWHM line width of <30 km s{sup 1}, and an isotropic luminosity orders of a magnitude larger than that observed in any Galactic star formation region. These characteristics suggest that the 36.2GHz methanol emission is most likely a maser, although observations with higher angular and spectral resolution are required to confirm this. If it is a maser, this represents the first detection of a class I methanol maser outside the Milky Way. The 36.2GHz methanol emission in NGC253 has more than an order of magnitude higher isotropic luminosity than the widespread emission recently detected toward the center of the Milky Way. If emission from this transition scales with the nuclear star formation rate, then it may be detectable in the central regions of many starburst galaxies. Detection of methanol emission in ultra-luminous infrared galaxies would open up a new tool for testing for variations in fundamental constants (particularly the proton-to-electron mass ratio) on cosmological scales.

  5. Comparative Density Functional Study of Methanol Decomposition on Cu4 and Co4 Clusters

    SciTech Connect (OSTI)

    Mehmood, Faisal; Greeley, Jeffrey P.; Zapol, Peter; Curtiss, Larry A.

    2010-11-18

    A density functional theory study of the decomposition of methanol on Cu4 and Co4 clusters is presented. The reaction intermediates and activation barriers have been determined for reaction steps to form H2 and CO. For both clusters, methanol decomposition initiated by C-H and O-H bond breaking was investigated. In the case of a Cu4 cluster, methanol dehydrogenation through hydroxymethyl (CH2OH), hydroxymethylene (CHOH), formyl (CHO), and carbon monoxide (CO) is found to be slightly more favorable. For a Co4 cluster, the dehydrogenation pathway through methoxy (CH3O) and formaldehyde (CH2O) is slightly more favorable. Each of these pathways results in formation of CO and H2. The Co cluster pathway is very favorable thermodynamically and kinetically for dehydrogenation. However, since CO binds strongly, it is likely to poison methanol decomposition to H2 and CO at low temperatures. In contrast, for the Cu cluster, CO poisoning is not likely to be a problem since it does not bind strongly, but the dehydrogenation steps are not energetically favorable. Pathways involving C-O bond cleavage are even less energetically favorable. The results are compared to our previous study of methanol decomposition on Pd4 and Pd8 clusters. Finally, all reaction energy changes and transition state energies, including those for the Pd clusters, are related in a linear, Broensted-Evans-Polanyi plot.

  6. Kinetic, Spectroscopic, and Theoretical Assessment of Associative and Dissociative Methanol Dehydration Routes in Zeolites

    SciTech Connect (OSTI)

    Jones, Andrew J.; Iglesia, Enrique

    2014-11-03

    Mechanistic interpretations of rates and in situ IR spectra combined with density functionals that account for van der Waals interactions of intermediates and transition states within confining voids show that associative routes mediate the formation of dimethyl ether from methanol on zeolitic acids at the temperatures and pressures of practical dehydration catalysis. Methoxy-mediated dissociative routes become prevalent at higher temperatures and lower pressures, because they involve smaller transition states with higher enthalpy, but also higher entropy, than those in associative routes. These enthalpyentropy trade-offs merely reflect the intervening role of temperature in activation free energies and the prevalence of more complex transition states at low temperatures and high pressures. This work provides a foundation for further inquiry into the contributions of H-bonded methanol and methoxy species in homologation and hydrocarbon synthesis reactions from methanol.

  7. Process for the conversion of carbonaceous feedstocks to particulate carbon and methanol

    DOE Patents [OSTI]

    Steinberg, M.; Grohse, E.W.

    1995-06-27

    A process is described for the production of a pollutant-free particulate carbon (i.e., a substantially ash-, sulfur- and nitrogen-free carbon) from carbonaceous feedstocks. The basic process involves de-oxygenating one of the gas streams formed in a cyclic hydropyrolysis-methane pyrolysis process in order to improve conversion of the initial carbonaceous feedstock. De-oxygenation is effected by catalytically converting carbon monoxide, carbon dioxide, and hydrogen contained in one of the pyrolysis gas streams, preferably the latter, to a methanol co-product. There are thus produced two products whose use is known per se, viz., a substantially pollutant-free particulate carbon black and methanol. These products may be admixed in the form of a liquid slurry of carbon black in methanol. 3 figs.

  8. Process for the conversion of carbonaceous feedstocks to particulate carbon and methanol

    DOE Patents [OSTI]

    Steinberg, Meyer (Melville, NY); Grohse, Edward W. (Port Jefferson, NY)

    1995-01-01

    A process for the production of a pollutant-free particulate carbon (i.e., a substantially ash-, sulfur- and nitrogen-free carbon) from carbonaceous feedstocks. The basic process involves de-oxygenating one of the gas streams formed in a cyclic hydropyrolysis-methane pyrolysis process in order to improve conversion of the initial carbonaceous feedstock. De-oxygenation is effected by catalytically converting carbon monoxide, carbon dioxide, and hydrogen contained in one of the pyrolysis gas streams, preferably the latter, to a methanol co-product. There are thus produced two products whose use is known per se, viz., a substantially pollutant-free particulate carbon black and methanol. These products may be admixed in the form of a liquid slurry of carbon black in methanol.

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

    SciTech Connect (OSTI)

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

    2014-04-01

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

  10. PHYSICAL CONDITIONS AROUND 6.7 GHz METHANOL MASERS. I. AMMONIA

    SciTech Connect (OSTI)

    Pandian, J. D.; Wyrowski, F.; Menten, K. M.

    2012-07-01

    Methanol masers at 6.7 GHz are known to be tracers of high-mass star formation in our Galaxy. In this paper, we study the large-scale physical conditions in the star-forming clumps/cores associated with 6.7 GHz methanol masers using observations of the (1, 1), (2, 2), and (3, 3) inversion transitions of ammonia with the Effelsberg telescope. The gas kinetic temperature is found to be higher than in infrared dark clouds, highlighting the relatively evolved nature of the maser sources. Other than a weak correlation between maser luminosity and the ammonia line width, we do not find any differences between low- and high-luminosity methanol masers.

  11. Kinetic and thermodynamic study of the liquid-phase etherification of isoamylenes with methanol

    SciTech Connect (OSTI)

    Piccoli, R.L. ); Lovisi, H.R. )

    1995-02-01

    The kinetics and thermodynamics of liquid-phase etherification of isoamylenes with methanol on ion exchange catalyst (Amberlyst 15) were studied. Thermodynamic properties and rate data were obtained in a batch reactor operating under 1,013 kPa and 323--353 K. The kinetic equation was modeled following the Langmuir-Hinshelwood-Hougen-Watson formalism according to a proposed surface mechanism where the rate-controlling step is the surface reaction. According to the experimental results, methanol adsorbs very strongly on the active sites, covering them completely, and thus the reaction follows an apparent first-order behavior. The isoamylenes, according to the proposed mechanism, adsorb simultaneously on the same single active center already occupied by methanol, migrating through the liquid layer formed by the alcohol around the catalyst to react in the acidic site. From the proposed mechanism a model was suggested and the kinetic and thermodynamic parameters were obtained using nonlinear estimation methods.

  12. WIDESPREAD METHANOL EMISSION FROM THE GALACTIC CENTER: THE ROLE OF COSMIC RAYS

    SciTech Connect (OSTI)

    Yusef-Zadeh, F.; Royster, M.; Cotton, W.; Viti, S.; Wardle, M.

    2013-02-20

    We report the discovery of a widespread population of collisionally excited methanol J = 4{sub -1} to 3{sub 0} E sources at 36.2 GHz from the inner 66' Multiplication-Sign 18' (160 Multiplication-Sign 43 pc) of the Galactic center. This spectral feature was imaged with a spectral resolution of 16.6 km s{sup -1} taken from 41 channels of a Very Large Array continuum survey of the Galactic center region. The revelation of 356 methanol sources, most of which are maser candidates, suggests a large abundance of methanol in the gas phase in the Galactic center region. There is also spatial and kinematic correlation between SiO (2-1) and CH{sub 3}OH emission from four Galactic center clouds: the +50 and +20 km s{sup -1} clouds and G0.13-0.13 and G0.25 + 0.01. The enhanced abundance of methanol is accounted for in terms of induced photodesorption by cosmic rays as they travel through a molecular core, collide, dissociate, ionize, and excite Lyman Werner transitions of H{sub 2}. A time-dependent chemical model in which cosmic rays drive the chemistry of the gas predicts CH{sub 3}OH abundance of 10{sup -8} to 10{sup -7} on a chemical timescale of 5 Multiplication-Sign 10{sup 4} to 5 Multiplication-Sign 10{sup 5} years. The average methanol abundance produced by the release of methanol from grain surfaces is consistent with the available data.

  13. Liquid phase low temperature method for production of methanol from synthesis gas and catalyst formulations therefor

    DOE Patents [OSTI]

    Mahajan, Devinder

    2005-07-26

    The invention provides a homogenous catalyst for the production of methanol from purified synthesis gas at low temperature and low pressure which includes a transition metal capable of forming transition metal complexes with coordinating ligands and an alkoxide, the catalyst dissolved in a methanol solvent system, provided the transition metal complex is not transition metal carbonyl. The coordinating ligands can be selected from the group consisting of N-donor ligands, P-donor ligands, O-donor ligands, C-donor ligands, halogens and mixtures thereof.

  14. Preparation of silver nanoparticles/graphene nanosheets as a catalyst for electrochemical oxidation of methanol

    SciTech Connect (OSTI)

    Han, Kun; Miao, Peng; Tang, Yuguo; Tong, Hui; Zhu, Xiaoli; Liu, Tao; Cheng, Wenbo

    2014-02-03

    In this report, silver nanoparticles (AgNPs) decorated graphene nanosheets have been prepared based on the reduction of Ag ions by hydroquinone, and their catalytic performance towards the electrochemical oxidation of methanol is investigated. The synthesis of the nano-composite is confirmed by transmission electron microscope measurements and UV-vis absorption spectra. Excellent electrocatalytic performance of the material is demonstrated by cyclic voltammograms. This material also contributes to the low peak potential of methanol oxidation compared with most of the other materials.

  15. NREL Teams with Industry to Validate Methanol Fuel Cell Technology - News

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

    Releases | NREL NREL Teams with Industry to Validate Methanol Fuel Cell Technology February 18, 2011 The U.S. Department of Energy's National Renewable Energy Laboratory (NREL) is collaborating with Oorja Protonics of Fremont, Calif., on a two-year project to deploy and demonstrate methanol fuel cells for power pallet jacks, a kind of forklift, in four commercial wholesale distribution centers. The total cost of the project is just over $2 million; NREL will contribute $900,000 to fund the

  16. Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

    SciTech Connect (OSTI)

    Hu, Matej; Urbic, Tomaz; Muna, Gianmarco

    2014-10-28

    Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations. The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.

  17. Gasoline from Wood via Integrated Gasification, Synthesis, and Methanol-to-Gasoline Technologies

    SciTech Connect (OSTI)

    Phillips, S. D.; Tarud, J. K.; Biddy, M. J.; Dutta, A.

    2011-01-01

    This report documents the National Renewable Energy Laboratory's (NREL's) assessment of the feasibility of making gasoline via the methanol-to-gasoline route using syngas from a 2,000 dry metric tonne/day (2,205 U.S. ton/day) biomass-fed facility. A new technoeconomic model was developed in Aspen Plus for this study, based on the model developed for NREL's thermochemical ethanol design report (Phillips et al. 2007). The necessary process changes were incorporated into a biomass-to-gasoline model using a methanol synthesis operation followed by conversion, upgrading, and finishing to gasoline. Using a methodology similar to that used in previous NREL design reports and a feedstock cost of $50.70/dry ton ($55.89/dry metric tonne), the estimated plant gate price is $16.60/MMBtu ($15.73/GJ) (U.S. $2007) for gasoline and liquefied petroleum gas (LPG) produced from biomass via gasification of wood, methanol synthesis, and the methanol-to-gasoline process. The corresponding unit prices for gasoline and LPG are $1.95/gallon ($0.52/liter) and $1.53/gallon ($0.40/liter) with yields of 55.1 and 9.3 gallons per U.S. ton of dry biomass (229.9 and 38.8 liters per metric tonne of dry biomass), respectively.

  18. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-09-30

    The Liquid Phase Methanol (LPMEOHT") demonstration project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L. P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. A demonstration unit producing 80,000 gallons per day (260 tons-per-day) of methanol from coal-derived synthesis gas (syngas) was designed, constructed, and is operating at a site located at the Eastman complex in Kingsport. The Partnership will own and operate the facility for the four-year demonstration period. This project is sponsored under the DOE's Clean Coal Technology Program, and its primary objective is to "demonstrate the production of methanol using the LPMEOWM Process in conjunction with an integrated coal gasification facility." The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fiel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four-year demonstration period. The LPMEOITM process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfdly piloted at a 10 tons-per- day (TPD) rate in the DOE-owned experimental unit at Air Products' LaPorte, Texas, site. This demonstration project is the culmination of that extensive cooperative development effort.

  19. Commercial-Scale Demonstration of the Liquid Phase Methanol (LOMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-12-31

    The Liquid Phase Methanol (LPMEOH) Demonstration Project at Kingsport, Tennessee, is a $213.7 million effort being conducted under a cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. A demonstration unit producing 80,000 gallons per day (260 tons-per-day (TPD)) of methanol from coal-derived synthesis gas (syngas) was designed, constructed, and began a four-year operational period in April of 1997 at a site located at the Eastman complex in Kingsport. The Partnership will own and operate the facility for the four-year demonstration period. This project is sponsored under the DOE's Clean Coal Technology Program, and its primary objective is to "demonstrate the production of methanol using the LPMEOH?M Process in conjunction with an integrated coal gasification facility." The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fiel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four-year demonstration period. The LPMEOJYM process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfidly piloted at a 10-TPD rate in the DOE-owned experimental unit at Air Products' LaPorte, Texas, site. This Demonstration Project is the culmination of that extensive cooperative development effort.

  20. Site Competition During Coadsorption of Acetone with Methanol and Water on TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-08-02

    The competitive interaction between acetone and two solvent molecules (methanol and water) for surface sites on rutile TiO2(110) was studied using temperature programmed desorption (TPD). On a vacuum reduced TiO2(110) surface, which possessed ~5% oxygen vacancy sites, excess methanol displaced preadsorbed acetone molecules to weakly bound and physisorbed desorption states below 200 K, whereas acetone was stabilized to 250 K against displacement by methanol on an oxidized surface through formation of an acetone-diolate species. These behaviors of acetone differ from the competitive interactions between acetone and water in that acetone is less susceptible to displacement by water. Examination of acetone+methanol and acetone+water multilayer combinations shows that acetone is more compatible in water-ice films than in methanol-ice films, presumably because water has greater potential as a hydrogen-bond donor than does methanol. Acetone molecules displaced from the TiO2(110) surface by water are more likely to be retained in the near-surface region, having a greater opportunity to revisit the surface, than when methanol is used as a coadsorbate. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  1. A Theoretical Study of Methanol Synthesis from CO(2) Hydrogenation on Metal-doped Cu(111) Surfaces

    SciTech Connect (OSTI)

    Liu P.; Yang, Y.; White, M.G.

    2012-01-12

    Density functional theory (DFT) calculations and Kinetic Monte Carlo (KMC) simulations were employed to investigate the methanol synthesis reaction from CO{sub 2} hydrogenation (CO{sub 2} + 3H{sub 2} {yields} CH{sub 3}OH + H{sub 2}O) on metal-doped Cu(111) surfaces. Both the formate pathway and the reverse water-gas shift (RWGS) reaction followed by a CO hydrogenation pathway (RWGS + CO-Hydro) were considered in the study. Our calculations showed that the overall methanol yield increased in the sequence: Au/Cu(111) < Cu(111) < Pd/Cu(111) < Rh/Cu(111) < Pt/Cu(111) < Ni/Cu(111). On Au/Cu(111) and Cu(111), the formate pathway dominates the methanol production. Doping Au does not help the methanol synthesis on Cu(111). Pd, Rh, Pt, and Ni are able to promote the methanol production on Cu(111), where the conversion via the RWGS + CO-Hydro pathway is much faster than that via the formate pathway. Further kinetic analysis revealed that the methanol yield on Cu(111) was controlled by three factors: the dioxomethylene hydrogenation barrier, the CO binding energy, and the CO hydrogenation barrier. Accordingly, two possible descriptors are identified which can be used to describe the catalytic activity of Cu-based catalysts toward methanol synthesis. One is the activation barrier of dioxomethylene hydrogenation, and the other is the CO binding energy. An ideal Cu-based catalyst for the methanol synthesis via CO{sub 2} hydrogenation should be able to hydrogenate dioxomethylene easily and bond CO moderately, being strong enough to favor the desired CO hydrogenation rather than CO desorption but weak enough to prevent CO poisoning. In this way, the methanol production via both the formate and the RWGS + CO-Hydro pathways can be facilitated.

  2. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOTH) Process

    SciTech Connect (OSTI)

    1998-12-21

    The Liquid Phase Methanol (LPMEOW) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership) to produce methanol from coal-derived synthesis gas (syngas). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOI-P Process Demonstration Unit was built at a site located at the Eastman coal-to-chemicals complex in Kingsport. During this quarter, initial planning and procurement work continued on the seven project sites which have been accepted for participation in the off-site, product-use test program. Approximately 12,000 gallons of fuel-grade methanol (98+ wt% methanol, 4 wt% water) produced during operation on carbon monoxide (CO)-rich syngas at the LPMEOW Demonstration Unit was loaded into trailers and shipped off-site for Mure product-use testing. At one of the projects, three buses have been tested on chemical-grade methanol and on fhel-grade methanol from the LPMEOW Demonstration Project. During the reporting period, planning for a proof-of-concept test run of the Liquid Phase Dimethyl Ether (LPDME~ Process at the Alternative Fuels Development Unit (AFDU) in LaPorte, TX continued. The commercial catalyst manufacturer (Calsicat) has prepared the first batch of dehydration catalyst in large-scale equipment. Air Products will test a sample of this material in the laboratory autoclave. Catalyst activity, as defined by the ratio of the rate constant at any point in time to the rate constant for freshly reduced catalyst (as determined in the laborato~ autoclave), was monitored for the initial extended operation at the lower initial reactor operating temperature of 235oC. At this condition, the decrease in catalyst activity with time from the period 20 December 1997 through 27 January 1998 occurred at a rate of 1.0% per day, which represented a significant improvement over the 3.4Yi per day decline measured during the initial six weeks of operation in April and May of 1997. The deactivation rate also improved from the longer-term rate of 1.6% per day calculated throughout the summer and autumn of 1997.

  3. COMMERCIAL-SCALE DEMONSTRATION OF THE LIQUID PHASE METHANOL (LPMEOH) PROCESS

    SciTech Connect (OSTI)

    E.C. Heydorn; B.W. Diamond; R.D. Lilly

    2003-06-01

    This project, which was sponsored by the U.S. Department of Energy (DOE) under the Clean Coal Technology Program to demonstrate the production of methanol from coal-derived synthesis gas (syngas), has completed the 69-month operating phase of the program. The purpose of this Final Report for the ''Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) Process'' is to provide the public with details on the performance and economics of the technology. The LPMEOH{trademark} Demonstration Project was a $213.7 million cooperative agreement between the DOE and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). The DOE's cost share was $92,708,370 with the remaining funds coming from the Partnership. The LPMEOH{trademark} demonstration unit is located at the Eastman Chemical Company (Eastman) chemicals-from-coal complex in Kingsport, Tennessee. The technology was the product of a cooperative development effort by Air Products and Chemicals, Inc. (Air Products) and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} Process is ideally suited for directly processing gases produced by modern coal gasifiers. Originally tested at the Alternative Fuels Development Unit (AFDU), a small, DOE-owned process development facility in LaPorte, Texas, the technology provides several improvements essential for the economic coproduction of methanol and electricity directly from gasified coal. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface, protecting the catalyst, and allowing the methanol synthesis reaction to proceed at higher rates. The LPMEOH{trademark} Demonstration Project accomplished the objectives set out in the Cooperative Agreement with DOE for this Clean Coal Technology project. Overall plant availability (defined as the percentage of time that the LPMEOH{trademark} demonstration unit was able to operate, with the exclusion of scheduled outages) was 97.5%, and the longest operating run without interruption of any kind was 94 days. Over 103.9 million gallons of methanol was produced; Eastman accepted all of the available methanol for use in the production of methyl acetate, and ultimately cellulose acetate and acetic acid.

  4. HYDROGEN PRODUCTION FOR FUEL CELLS VIA REFORMING COAL-DERIVED METHANOL

    SciTech Connect (OSTI)

    Paul A. Erickson

    2006-04-01

    Hydrogen can be produced from many feedstocks including coal. The objectives of this project are to establish and prove a hydrogen production pathway from coal-derived methanol for fuel cell applications. This progress report is the tenth report submitted to the DOE reporting on the status and progress made during the course of the project. This report covers the time period of January 1-March 31, 2006. This quarter saw progress in six areas. These areas are: (1) The effect of catalyst dimension on steam reforming, (2) Transient characteristics of autothermal reforming, (3) Rich and lean autothermal reformation startup, (4) Autothermal reformation degradation with coal derived methanol, (5) Reformate purification system, and (6) Fuel cell system integration. All of the projects are proceeding on or slightly ahead of schedule.

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

    SciTech Connect (OSTI)

    Yousif, M.H.

    1996-12-31

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

  6. Reactions of Deuterated Methanol (CD3OD) on Fe3O4(111)

    SciTech Connect (OSTI)

    Li, Zhisheng; Potapenko, Denis V.; Rim, Kwang T.; Flytzani-Stephanopoulos, Maria; Flynn, George; Osgood, Richard; Wen, Xiaodong; Batista, Enrique R.

    2015-01-15

    We report an experimental and theoretical investigation of the decomposition (partial oxidation) of deuterated methanol (CD3OD) on a single-crystal Fe3O4(111) surface. The crystal surface contains majority areas of a Fe-terminated Fe3O4(111) surface as well as smaller regions of O-terminated FeO(111) or biphase surface reconstruction. Our investigation uses a combination of scanning tunneling microscopy, temperature-programmed desorption, and density functional theory calculations to examine the surface reactions and adsorbates as a function of coverage. Our studies show that the reaction of methanol on this ironoxide surface is highly sensitive to atomic-level surface reconstructions

  7. Aldehyde and unburned fuel emission measurements from a methanol-fueled Texaco stratified charge engine

    SciTech Connect (OSTI)

    Kim, C.; Foster, D.E.

    1985-04-01

    A Texaco L-163S TCCS (Texaco Controlled Combustion System) engine was operated with pure methanol to investigate the origin of unburned fuel (UBF) and formaldehyde emissions. Both continuous and time-resolved exhaust gas sampling methods were used to measure UBF and formaldehyde concentrations. Fuel impingement is believed to be an additional source of UBF emissions from this methanol-fueled TCCS engine. At increased load we believe that it is the primary source of the UBF emissions. Formaldehyde emissions were found to originate in the cylinder gases, especially at low load. However the formation of aldehydes in the exhaust port after leaving the cylinder does occur and becomes more important as the load increases. Increasing the engine load resulted in a decrease in UBF emissions but in most cases increased the formaldehyde emissions. Increased engine speed resulted in slightly increased UBF and formaldehyde emissions.

  8. Evaluation of a methanol-fueled (M85) turbocharged nissan sentra. Technical report

    SciTech Connect (OSTI)

    Blair, D.M.

    1988-05-01

    Section 211 of the Clean Air Act requires that the United States Environmental Protection Agency (EPA) play a key role in the introduction of new motor-vehicle fuels. The Emission Control Technology Division (ECTD), of the Office of Mobile Sources, EPA assesses technology that could be used to reduce mobile source emissions, including evaluation of alternate-fueled vehicles. A turbocharged Nissan Sentra was emission tested at the U.S. EPA Motor Vehicle Emissions Laboratory located in Ann Arbor, Michigan. This vehicle was designed by Nissan to operate on M85 (85% methanol/15% gasoline) fuel. The vehicle's chassis is a late-1986 configuration while the engine is based on a 1983 1.3-liter design. The report includes individual test results using methanol-vehicle procedures, calculation of exhaust emissions, and individual test results using gasoline-vehicle procedures.

  9. WABASH RIVER INTEGRATED METHANOL AND POWER PRODUCTION FROM CLEAN COAL TECHNOLOGIES (IMPPCCT)

    SciTech Connect (OSTI)

    Albert Tsang

    2003-03-14

    The Wabash River Integrated Methanol and Power Production from Clean Coal Technologies (IMPPCCT) project is evaluating integrated electrical power generation and methanol production through clean coal technologies. The project is conducted by a multi-industry team lead by Gasification Engineering Corporation (GEC), a company of Global Energy Inc., and supported by Air Products and Chemicals, Inc., Dow Chemical Company, Dow Corning Corporation, Methanex Corporation, and Siemens Westinghouse Power Corporation. Three project phases are planned for execution over several years, including: (1) Feasibility study and conceptual design for an integrated demonstration facility, and for fence-line commercial embodiment plants (CEP) operated at Dow Chemical or Dow Corning chemical plant locations (2) Research, development, and testing to define any technology gaps or critical design and integration issues (3) Engineering design and financing plan to install an integrated commercial demonstration facility at the existing Wabash River Energy Limited (WREL) plant in West Terre Haute, Indiana.

  10. Methanol with dimethyl ether ignition promotor as fuel for compression ignition engines

    SciTech Connect (OSTI)

    Brook, D.L.; Cipolat, D.; Rallis, C.J.

    1984-08-01

    Reduction of the world dependence upon crude oil necessitates the use of long term alternative fuels for internal combustion engines. Alcohols appear to offer a solution as in the short term they can be manufactured from natural gas and coal, while ultimately they may be produced from agricultural products. A fair measure of success has been achieved in using alcohols in spark ignition engines. However the more widely used compression ignition engines cannot utilize unmodified pure alcohols. The current techniques for using alcohol fuels in compression ignition engines all have a number of shortcomings. This paper describes a novel technique where an ignition promotor, dimethyl ether (DME), is used to increase the cetane rating of methanol. The systems particular advantage is that the DME can be catalyzed from the methanol base fuel, in situ. This fuel system matches the performance characteristics of diesel oil fuel.

  11. CANDIDATES FOR THE YOUNG STELLAR OUTFLOWS: WATER AND METHANOL MASERS FROM YOUNG STELLAR OBJECTS

    SciTech Connect (OSTI)

    Lim, Wanggi; Lyo, A-Ran; Kim, Kee-Tae; Byun, Do-Young

    2012-11-01

    We conducted simultaneous 22 GHz water maser and 44 GHz class I methanol maser surveys of newly identified 282 H{sub 2} emission features from the 2.122 {mu}m H{sub 2} narrowband image survey in the Galactic plane (UWISH2 project) using Korean VLBI Network 21 m radio telescopes. We detected 16 and 13 new water and methanol maser sources, respectively. This result indicates that at least {approx}5% of the H{sub 2} emission features originate from young stellar objects (YSOs) that are in the right physical condition to produce the water and methanol masers. The masers are closely related to the current outflow activities in the Galactic plane. The power sources of these 23 diffused/collimated H{sub 2} emission features (six sources are detected for both masers) are likely to be intermediate- to high-mass YSOs, based on a comparison with the maser luminosities of other well-studied YSOs. Both maser velocities are mostly close to their own systemic velocities within {approx}<5 km s{sup -1}, even though water masers generally show larger variabilities in the intensity, velocity, and shape than methanol masers. We also discovered three new water maser sources with high-velocity components: {approx}25 km s{sup -1} redshifted CMHO 019, {approx}50 km s{sup -1} blueshifted CMHO 132, and {approx}120 km s{sup -1} blueshifted CMHO 182. In particular, we propose that the dominant blueshifted water maser of CHMO 182 can be a unique laboratory for the study of the high-mass young stellar jet and its acceleration.

  12. Methanol synthesis on ZnO(0001{sup }). IV. Reaction mechanisms and electronic structure

    SciTech Connect (OSTI)

    Frenzel, Johannes Marx, Dominik

    2014-09-28

    Methanol synthesis from CO and H{sub 2} over ZnO, which requires high temperatures and high pressures giving rise to a complex interplay of physical and chemical processes over this heterogeneous catalyst surface, is investigated using ab initio simulations. The redox properties of the surrounding gas phase are known to directly impact on the catalyst properties and thus, set the overall catalytic reactivity of this easily reducible oxide material. In Paper III of our series [J. Kiss, J. Frenzel, N. N. Nair, B. Meyer, and D. Marx, J. Chem. Phys. 134, 064710 (2011)] we have qualitatively shown that for the partially hydroxylated and defective ZnO(0001{sup }) surface there exists an intricate network of surface chemical reactions. In the present study, we employ advanced molecular dynamics techniques to resolve in detail this reaction network in terms of elementary steps on the defective surface, which is in stepwise equilibrium with the gas phase. The two individual reduction steps were investigated by ab initio metadynamics sampling of free energy landscapes in three-dimensional reaction subspaces. By also sampling adsorption and desorption processes and thus molecular species that are in the gas phase but close to the surface, our approach successfully generated several alternative pathways of methanol synthesis. The obtained results suggest an Eley-Rideal mechanism for both reduction steps, thus involving near-surface molecules from the gas phase, to give methanol preferentially over a strongly reduced catalyst surface, while important side reactions are of Langmuir-Hinshelwood type. Catalyst re-reduction by H{sub 2} stemming from the gas phase is a crucial process after each reduction step in order to maintain the catalyst's activity toward methanol formation and to close the catalytic cycle in some reaction channels. Furthermore, the role of oxygen vacancies, side reactions, and spectator species is investigated and mechanistic details are discussed based on extensive electronic structure analysis.

  13. Technoeconomic Comparison of Biofuels: Ethanol, Methanol, and Gasoline from Gasification of Woody Residues (Presentation)

    SciTech Connect (OSTI)

    Tarud, J.; Phillips, S.

    2011-08-01

    This presentation provides a technoeconomic comparison of three biofuels - ethanol, methanol, and gasoline - produced by gasification of woody biomass residues. The presentation includes a brief discussion of the three fuels evaluated; discussion of equivalent feedstock and front end processes; discussion of back end processes for each fuel; process comparisons of efficiencies, yields, and water usage; and economic assumptions and results, including a plant gate price (PGP) for each fuel.

  14. Commercial-Scale Demonstration of the Liquid Phase methanol (LPMEOH) Process A DOE Assessment

    SciTech Connect (OSTI)

    National Energy Technology Laboratory

    2003-10-27

    The U.S. Department of Energy (DOE) Clean Coal Technology (CCT) Program seeks to offer the energy marketplace more efficient and environmentally benign coal utilization technology options by demonstrating them in industrial settings. This document is a DOE post-project assessment (PPA) of one of the projects selected in Round III of the CCT Program, the commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) Process, initially described in a Report to Congress by DOE in 1992. Methanol is an important, large-volume chemical with many uses. The desire to demonstrate a new process for the production of methanol from coal, prompted Air Products and Chemicals, Inc. (Air Products) to submit a proposal to DOE. In October 1992, DOE awarded a cooperative agreement to Air Products to conduct this project. In March 1995, this cooperative agreement was transferred to Air Products Liquid Phase Conversion Company, L.P. (the Partnership), a partnership between Air Products and Eastman Chemical Company (Eastman). DOE provided 43 percent of the total project funding of $213.7 million. Operation of the LPMEOH Demonstration Unit, which is sited at Eastman's chemicals-from-coal complex in Kingsport, Tennessee, commenced in April 1997. Although operation of the CCT project was completed in December 2002, Eastman continues to operate the LPMEOH Demonstration Unit for the production of methanol. The independent evaluation contained herein is based primarily on information from Volume 2 of the project's Final Report (Air Products Liquid Phase Conversion Co., L.P. 2003), as well as other references cited.

  15. FTP Emissions Test Results from Flexible-Fuel Methanol Dodge Spirits and Ford Econoline Vans

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    FTP Emissions Test Results from Flexible-Fuel Methanol Dodge Spirits and Ford Econoline Vans Kenneth J. Kelly, Brent K. Bailey, and Timothy C. Coburn National Renewable Energy Laboratory Wendy Clark Automotive Testing Laboratories, Inc. Leslie Eudy ManTech Environmental Technology, Inc. Peter Lissiuk Environmental Research and Development Corp. Presented at Society for Automotive Engineers International Spring Fuels and Lubricants Meeting Dearborn, MI May 6-8, 1996 The work described here was

  16. Mechanistic Studies of Methanol Synthesis over Cu from CO/CO2/H2/H2O Mixtures: the Source of C in Methanol and the Role of Water

    SciTech Connect (OSTI)

    Yang, Yong; Mims, Charles A.; Mei, Donghai; Peden, Charles HF; Campbell, Charles T.

    2013-02-01

    The low temperature (403 453K) conversions of CO:hydrogen and CO2:hydrogen mixtures (6 bar total pressure) to methanol over copper catalysts are both assisted by the presence of small amounts of water (mole fraction ~0.04%-0.5%). For CO2:hydrogen reaction mixtures, the water product from both methanol synthesis and reverse water gas shift serves to initiate both reactions in an autocatalytic manner. In the case of CO:D2 mixtures, very little methanol is produced until small amounts of water are added. The effect of water on methanol production is more immediate than in CO2:D2, yet the steady state rates are similar. Tracer experiments in 13CO:12CO2:hydrogen (with or without added water), show that the dominant source of C in the methanol product gradually shifts from CO2 to CO as the temperature is lowered. Cu-bound formate, the major IR visible surface species under CO2:hydrogen, is not visible in CO:moist hydrogen. Though formate is visible in the tracer experiments, the symmetric stretch is absent. These results, in conjunction with recent DFT calculations on Cu(111), point to carboxyl as a common intermediate for both methanol synthesis and reverse water gas shift, with formate playing a spectator co-adsorbate role.

  17. The use of dimethyl ether as a starting aid for methanol-fueled SI engines at low temperatures

    SciTech Connect (OSTI)

    Kozole, K.H.; Wallace, J.S

    1988-01-01

    Methanol-fueled SI engines have proven to be difficult to start at ambient temperatures below approximately 10/sup 0/C. The use of dimethyl ether (DME) is proposed to improve the cold starting performance of methanol-fueled SI engines. Tests to evaluate this idea were carried out with a modified single-cylinder CFR research engine having a compression ratio of 12:1. The engine was fueled with combinations of gaseous dimethyl ether and liquid methanol having DME mass fractions of 30%, 40%, 60% and 70%. For comparison, tests were also carried out with 100% methanol and with winter grade premium unleaded gasoline. Overall stoichiometric mixtures were used in all tests.

  18. Proton exchange membrane materials for the advancement of direct methanol fuel-cell technology

    DOE Patents [OSTI]

    Cornelius, Christopher J. (Albuquerque, NM)

    2006-04-04

    A new class of hybrid organic-inorganic materials, and methods of synthesis, that can be used as a proton exchange membrane in a direct methanol fuel cell. In contrast with Nafion.RTM. PEM materials, which have random sulfonation, the new class of materials have ordered sulfonation achieved through self-assembly of alternating polyimide segments of different molecular weights comprising, for example, highly sulfonated hydrophilic PDA-DASA polyimide segment alternating with an unsulfonated hydrophobic 6FDA-DAS polyimide segment. An inorganic phase, e.g., 0.5 5 wt % TEOS, can be incorporated in the sulfonated polyimide copolymer to further improve its properties. The new materials exhibit reduced swelling when exposed to water, increased thermal stability, and decreased O.sub.2 and H.sub.2 gas permeability, while retaining proton conductivities similar to Nafion.RTM.. These improved properties may allow direct methanol fuel cells to operate at higher temperatures and with higher efficiencies due to reduced methanol crossover.

  19. Level Alignment of a Prototypical Photocatalytic System: Methanol on TiO2(110)

    SciTech Connect (OSTI)

    Migani, Annapaola; Mowbray, Duncan J.; Iacomino, Amilcare; Zhao, Jin; Petek, Hrvoje

    2013-08-07

    Photocatalytic activity depends on the optimal alignment of electronic levels at the molecule? semiconductor interface. Establishing the level alignment experimentally is complicated by the uncertain chemical identity of the surface species. We address the assignment of the occupied and empty electronic levels for the prototypical photocatalytic system consisting of methanol on a rutile TiO2(110) surface. Using many-body quasiparticle (QP) techniques, we show that the frontier levels measured in UV photoelectron and two-photon photoemission spectroscopy experiments can be assigned to molecularly chemisorbed methanol rather than its dissociated product, the methoxy species. We find that the highest occupied molecular orbital of the methoxy species is much closer to the valence band maximum, suggesting why it is more photocatalytically active than the methanol molecule. We develop a general semiquantitative model for predicting many-body QP energies based on the electronic screening within the bulk, molecular, or vacuum regions of the wave functions at molecule?semiconductor interfaces.

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

    SciTech Connect (OSTI)

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

    2014-10-01

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

  1. TUNING OF SIZE AND SHAPE OF AU-PT NANOCATALYST FOR DIRECT METHANOL FUEL CELLS

    SciTech Connect (OSTI)

    Murph, S.

    2011-04-20

    In this paper, we report the precise control of the size, shape and surface morphology of Au-Pt nanocatalysts (cubes, blocks, octahedrons and dogbones) synthesized via a seed-mediated approach. Gold 'seeds' of different aspect ratios (1 to 4.2), grown by a silver-assisted approach, were used as templates for high-yield production of novel Au-Pt nanocatalysts at a low temperature (40 C). Characterization by electron microscopy (SEM, TEM, HRTEM), energy dispersive X-ray analysis (EDX), UV-Vis spectroscopy, zeta-potential (surface charge), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma mass spectrometry (ICP-MS) were used to better understand their physico-chemical properties, preferred reactivities and underlying nanoparticle growth mechanism. A rotating disk electrode was used to evaluate the Au-Pt nanocatalysts electrochemical performance in the oxygen reduction reaction (ORR) and the methanol oxidation reaction (MOR) of direct methanol fuel cells. The results indicate the Au-Pt dogbones are partially and in some cases completely unaffected by methanol poisoning during the evaluation of the ORR. The ORR performance of the octahedron particles in the absence of MeOH is superior to that of the Au-Pt dogbones and Pt-black, however its performance is affected by the presence of MeOH.

  2. A comparative experimental and computational study of methanol, ethanol, and n-butanol flames

    SciTech Connect (OSTI)

    Veloo, Peter S.; Wang, Yang L.; Egolfopoulos, Fokion N.; Westbrook, Charles K.

    2010-10-15

    Laminar flame speeds and extinction strain rates of premixed methanol, ethanol, and n-butanol flames were determined experimentally in the counterflow configuration at atmospheric pressure and elevated unburned mixture temperatures. Additional measurements were conducted also to determine the laminar flame speeds of their n-alkane/air counterparts, namely methane, ethane, and n-butane in order to compare the effect of alkane and alcohol molecular structures on high-temperature flame kinetics. For both propagation and extinction experiments the flow velocities were determined using the digital particle image velocimetry method. Laminar flame speeds were derived through a non-linear extrapolation approach based on direct numerical simulations of the experiments. Two recently developed detailed kinetics models of n-butanol oxidation were used to simulate the experiments. The experimental results revealed that laminar flame speeds of ethanol/air and n-butanol/air flames are similar to those of their n-alkane/air counterparts, and that methane/air flames have consistently lower laminar flame speeds than methanol/air flames. The laminar flame speeds of methanol/air flames are considerably higher compared to both ethanol/air and n-butanol/air flames under fuel-rich conditions. Numerical simulations of n-butanol/air freely propagating flames, revealed discrepancies between the two kinetic models regarding the consumption pathways of n-butanol and its intermediates. (author)

  3. Final environmental assessment for the Liquid Phase Methanol (LPMEOH{trademark}) Project

    SciTech Connect (OSTI)

    1995-06-01

    The proposed project is to demonstrate on a commercial scale the production of methanol from coal-derived synthesis gas using the LPMEOH{trademark} process. The methanol produced during this demonstration will be used as a chemical feedstock (on-site) and/or as an alternative fuel in stationary and transportation applications (off-site). In addition, the production of dimethyl ether (DME) as a mixed co-product with methanol may be demonstrated for a six month period under the proposed project pending the results of laboratory/pilot-scale research on scale-up. The DME would be used as fuel in on-site boilers. The proposed LPMEOH facility would occupy approximately 0.6 acres of the 3,890-acre Eastman Chemical facility in Kingsport, TN. The effects of the proposed project include changes in air emissions, wastewater discharge, cooling water discharge, liquid waste quantities, transportation activities, socioeconomic effects, and quantity of solids for disposal. No substantive negative impacts or environmental concerns were identified.

  4. DME: The next market breakthrough or a methanol-related fuel

    SciTech Connect (OSTI)

    Gradassi, M.J.; Basu, A.; Fleisch, T.H.; Masin, J.G.

    1995-12-31

    Amoco has been involved for several years in the development of technology for the synthesis of liquid fuels from remote natural gas. In a recent collaborative work with Haldor Topsoe S/A, AVL LIST GmbH and Navistar, Amoco identified Dimethyl Ether (DME) as a new, ultraclean alternative fuel for diesel engines. DME can be handled like liquefied petroleum gas (LPG), itself an important alternative transportation fuel. However, unlike most other fuels, the raw exhaust of diesel engines fueled with DME satisfies California 1998 ULEV (Ultra Low Emission Vehicle) standards, now. DME`s greenhouse gas emissions, measured from cradle-to-grave, are lowest among all transportation fuel alternatives. Today, DME is manufactured from methanol and is used primarily as an aerosol propellant because of its attractive physical properties and its environmentally benign characteristics. Haldor Topsoe S/A developed a process for the direct production of DME from natural gas. The process can be used for the large scale manufacture of DME using predominantly single-train process units. When manufactured at large scale, DME can be produced and marketed at a cost comparable to conventional transportation fuels. The market driven demand for DME as a transportation fuel is envisioned to grow in three stages. Initially, DME is envisioned to be produced via methanol dehydration, followed by retrofits, and lastly by large scale dedicated plants. DME fuel demonstration fleet tests are scheduled to commence during 1996. Today`s methanol producer likely also will be tomorrow`s DME producer.

  5. A Comparative Study of the Adsorption of Water and Methanol in Zeolite BEA: A Molecular Simulation Study

    SciTech Connect (OSTI)

    Nguyen, Van T.; Nguyen, Phuong T.; Dang, Liem X.; Mei, Donghai; Wick, Collin D.; Do, Duong D.

    2014-09-15

    Grand Canonical Monte Carlo (GCMC) simulations were carried out to study the equilibrium adsorption concentration of methanol and water in all-silica zeolite BEA over the wide temperature and pressure ranges. For both water and methanol, their adsorptive capacity increases with increasing pressure and decreasing temperature. The onset of methanol adsorption occurs at much lower pressures than water adsorption at all temperatures. Our GCMC simulation results also indicate that the adsorption isotherms of methanol exhibit a gradual change with pressure while water adsorption shows a sharp first-order phase transition at low temperatures. To explore the effects of Si/Al ratio on adsorption, a series of GCMC simulations of water and methanol adsorption in zeolites HBEA with Si/Al=7, 15, 31, 63 were performed. As the Si/Al ratio decreases, the onsets of both water and methanol adsorption dramatically shift to lower pressures. The type V isotherm obtained for water adsorption in hydrophobic BEA progressively changes to type I isotherm with decreasing Si/Al ratio in hydrophilic HBEA. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

  6. Wabash River Integrated Methanol and Power Production from Clean Coal Technologies (IMPPCCT)

    SciTech Connect (OSTI)

    Conocophillips

    2007-09-30

    The Wabash River Integrated Methanol and Power Production from Clean Coal Technologies (IMPPCCT) project was established to evaluate integrated electrical power generation and methanol production through clean coal technologies. The project was under the leadership of ConocoPhillips Company (COP), after it acquired Gasification Engineering Corporation (GEC) and the E-Gas gasification technology from Global Energy Inc. in July 2003. The project has completed both Phase 1 and Phase 2 of development. The two project phases include the following: (1) Feasibility study and conceptual design for an integrated demonstration facility at SG Solutions LLC (SGS), previously the Wabash River Energy Limited, Gasification Facility located in West Terre Haute, Indiana, and for a fence-line commercial embodiment plant (CEP) operated at the Dow Chemical Company or Dow Corning Corporation chemical plant locations. (2) Research, development, and testing (RD&T) to define any technology gaps or critical design and integration issues. Phase 1 of this project was supported by a multi-industry team consisting of Air Products and Chemicals, Inc., The Dow Chemical Company, Dow Corning Corporation, Methanex Corporation, and Siemens Westinghouse Power Corporation, while Phase 2 was supported by Gas Technology Institute, TDA Research Inc., and Nucon International, Inc. The SGS integrated gasification combined cycle (IGCC) facility was designed, constructed, and operated under a project selected and co-funded under the Round IV of the United States Department of Energy's (DOE's) Clean Coal Technology Program. In this project, coal and/or other carbonaceous fuel feedstocks are gasified in an oxygen-blown, entrained-flow gasifier with continuous slag removal and a dry particulate removal system. The resulting product synthesis gas (syngas) is used to fuel a combustion turbine generator whose exhaust is integrated with a heat recovery steam generator to drive a refurbished steam turbine generator. The gasifier uses technology initially developed by The Dow Chemical Company (the Destec Gasification Process), and now acquired and offered commercially by COP as the E-Gas technology. In a joint effort with the DOE, a Cooperative Agreement was awarded under the Early Entrance Coproduction Plant (EECP) solicitation. GEC, and later COP and the industrial partners investigated the use of syngas produced by the E-Gas technology in a coproduction environment to enhance the efficiency and productivity of solid fuel gasification combined cycle power plants. The objectives of this effort were to determine the feasibility of an EECP located at a specific site which produces some combination of electric power (or heat), fuels, and/or chemicals from syngas derived from coal, or, coal in combination with some other carbonaceous feedstock. The intended result of the project was to provide the necessary technical, economic, and environmental information that would be needed to move the EECP forward to detailed design, construction, and operation by industry. The EECP study conducted in Phase 1 of the IMPPCCT Project confirmed that the concept for the integration of gasification-based (E-Gas) electricity generation from coal and/or petroleum coke and methanol production (Liquid Phase Methanol or LPMEOH{trademark}) processes was feasible for the coproduction of power and chemicals. The results indicated that while there were minimal integration issues that impact the deployment of an IMPPCCT CEP, the major concern was the removal of sulfur and other trace contaminants, which are known methanol catalyst poisons, from the syngas. However, economic concerns in the domestic methanol market which is driven by periodic low natural gas prices and cheap offshore supplies limit the commercial viability of this more capital intensive concept. The objective of Phase 2 was to conduct RD&T as outlined in the Phase 1 RD&T Plan to enhance the development and commercial acceptance of coproduction technology. Studies were designed to address the technical concerns that would mak

  7. WABASH RIVER INTEGRATED METHANOL AND POWER PRODUCTION FROM CLEAN COAL TECHNOLGIES (IMPPCCT)

    SciTech Connect (OSTI)

    Albert C. Tsang

    2004-03-26

    The Wabash River Integrated Methanol and Power Production from Clean Coal Technologies (IMPPCCT) project is evaluating integrated electrical power generation and methanol production through clean coal technologies. The project is under the leadership of ConocoPhillips Company (COP), after it acquired Gasification Engineering Corporation (GEC) and the E-Gas gasification technology from Global Energy in July 2003. The project has completed Phase I, and is currently in Phase II of development. The two project phases include: (1) Feasibility study and conceptual design for an integrated demonstration facility at Global Energy's existing Wabash River Energy Limited (WREL) plant in West Terre Haute, Indiana, and for a fence-line commercial embodiment plants (CEP) operated at Dow Chemical or Dow Corning chemical plant locations; and (2) Research, development, and testing (RD&T) to define any technology gaps or critical design and integration issues. The Phase I of this project was supported by a multi-industry team consisting of Air Products and Chemicals, Inc., Dow Chemical Company, Dow Corning Corporation, Methanex Corporation, and Siemens Westinghouse Power Corporation, while Phase II is supported by Gas Technology Institute, TDA Research Inc., and Nucon International, Inc. The WREL integrated gasification combined cycle (IGCC) facility was designed, constructed, and operated under a project selected and co-funded under the Round IV of the United States Department of Energy's (DOE's) Clean Coal Technology Program. In this project, coal and/or other solid fuel feedstocks are gasified in an oxygen-blown, entrained-flow gasifier with continuous slag removal and a dry particulate removal system. The resulting product synthesis gas is used to fuel a combustion turbine generator whose exhaust is integrated with a heat recovery steam generator to drive a refurbished steam turbine generator. The gasifier uses technology initially developed by The Dow Chemical Company (the Destec Gasification Process), and now acquired and offered commercially by COP as the E-Gas technology. In a joint effort with the DOE, a Cooperative Agreement was awarded under the Early Entrance Coproduction Plant (EECP) solicitation. GEC, and now COP and the industrial partners are investigating the use of synthesis gas produced by the E-Gas technology in a coproduction environment to enhance the efficiency and productivity of solid fuel gasification combined cycle power plants. The objectives of this effort are to determine the feasibility of an EECP located at a specific site which produces some combination of electric power (or heat), fuels, and/or chemicals from synthesis gas derived from coal, or, coal in combination with some other carbonaceous feedstock. The project's intended result is to provide the necessary technical, economic, and environmental information that will be needed to move the EECP forward to detailed design, construction, and operation by industry. The early entrance coproduction plant study conducted in Phase I of the IMPPCCT project confirmed that the concept for the integration of gasification-based (E-Gas) electricity generation from coal and/or petroleum coke and methanol production (Liquid Phase Methanol or LPMEOH{trademark}) processes was feasible for the coproduction of power and chemicals. The results indicated that while there are minimal integration issues that impact the deployment of an IMPPCCT CEP, the major concern was the removal of sulfur and other trace contaminants, which are known methanol catalyst poisons, from the synthesis gas (syngas). However, economic concerns in the domestic methanol market which is driven by periodic low natural gas prices and cheap offshore supplies limit the commercial viability of this more capital intensive concept. The objective of Phase II is to conduct RD&T as outlined in the Phase I RD&T Plan to enhance the development and commercial acceptance of coproduction technology. Studies will address the technical concerns that will make the IMPPCCT concept competitive with natural

  8. DOE-FLEX: DOE's Telework Program

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2013-02-11

    The order establishes the requirements and responsibilities for the Departments telework program. Supersedes DOE N 314.1.

  9. DOE-FLEX: DOE's Telework Program

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2011-07-05

    The directive establishes the requirements and responsibilities for the Departments telework program. Canceled by DOE O 314.1.

  10. Flex-flame burner and combustion method

    DOE Patents [OSTI]

    Soupos, Vasilios; Zelepouga, Serguei; Rue, David M.; Abbasi, Hamid A.

    2010-08-24

    A combustion method and apparatus which produce a hybrid flame for heating metals and metal alloys, which hybrid flame has the characteristic of having an oxidant-lean portion proximate the metal or metal alloy and having an oxidant-rich portion disposed above the oxidant lean portion. This hybrid flame is produced by introducing fuel and primary combustion oxidant into the furnace chamber containing the metal or metal alloy in a substoichiometric ratio to produce a fuel-rich flame and by introducing a secondary combustion oxidant into the furnace chamber above the fuel-rich flame in a manner whereby mixing of the secondary combustion oxidant with the fuel-rich flame is delayed for a portion of the length of the flame.

  11. UtiliFlex | Open Energy Information

    Open Energy Info (EERE)

    initiatives for companies such as Duke Energy, TVA, Atlanta Gas Light Company, and Enron. Utiliflex has successful projects using Echelon, Elster, and Landis+Gyr smart...

  12. Flex Fuel Optimized SI and HCCI Engine

    SciTech Connect (OSTI)

    Zhu, Guoming; Schock, Harold; Yang, Xiaojian; Huisjen, Andrew; Stuecken, Tom; Moran, Kevin; Zhen, Ron; Zhang, Shupeng

    2013-09-30

    The central objective of the proposed work is to demonstrate an HCCI (homogeneous charge compression ignition) capable SI (spark ignited) engine that is capable of fast and smooth mode transition between SI and HCCI combustion modes. The model-based control technique was used to develop and validate the proposed control strategy for the fast and smooth combustion mode transition based upon the developed control-oriented engine; and an HCCI capable SI engine was designed and constructed using production ready two-step valve-train with electrical variable valve timing actuating system. Finally, smooth combustion mode transition was demonstrated on a metal engine within eight engine cycles. The Chrysler turbocharged 2.0L I4 direct injection engine was selected as the base engine for the project and the engine was modified to fit the two-step valve with electrical variable valve timing actuating system. To develop the model-based control strategy for stable HCCI combustion and smooth combustion mode transition between SI and HCCI combustion, a control-oriented real-time engine model was developed and implemented into the MSU HIL (hardware-in-the-loop) simulation environment. The developed model was used to study the engine actuating system requirement for the smooth and fast combustion mode transition and to develop the proposed mode transition control strategy. Finally, a single cylinder optical engine was designed and fabricated for studying the HCCI combustion characteristics. Optical engine combustion tests were conducted in both SI and HCCI combustion modes and the test results were used to calibrate the developed control-oriented engine model. Intensive GT-Power simulations were conducted to determine the optimal valve lift (high and low) and the cam phasing range. Delphi was selected to be the supplier for the two-step valve-train and Denso to be the electrical variable valve timing system supplier. A test bench was constructed to develop control strategies for the electrical variable valve timing (VVT) actuating system and satisfactory electrical VVT responses were obtained. Target engine control system was designed and fabricated at MSU for both single-cylinder optical and multi-cylinder metal engines. Finally, the developed control-oriented engine model was successfully implemented into the HIL simulation environment. The Chrysler 2.0L I4 DI engine was modified to fit the two-step vale with electrical variable valve timing actuating system. A used prototype engine was used as the base engine and the cylinder head was modified for the two-step valve with electrical VVT actuating system. Engine validation tests indicated that cylinder #3 has very high blow-by and it cannot be reduced with new pistons and rings. Due to the time constraint, it was decided to convert the four-cylinder engine into a single cylinder engine by blocking both intake and exhaust ports of the unused cylinders. The model-based combustion mode transition control algorithm was developed in the MSU HIL simulation environment and the Simulink based control strategy was implemented into the target engine controller. With both single-cylinder metal engine and control strategy ready, stable HCCI combustion was achived with COV of 2.1% Motoring tests were conducted to validate the actuator transient operations including valve lift, electrical variable valve timing, electronic throttle, multiple spark and injection controls. After the actuator operations were confirmed, 15-cycle smooth combustion mode transition from SI to HCCI combustion was achieved; and fast 8-cycle smooth combustion mode transition followed. With a fast electrical variable valve timing actuator, the number of engine cycles required for mode transition can be reduced down to five. It was also found that the combustion mode transition is sensitive to the charge air and engine coolant temperatures and regulating the corresponding temperatures to the target levels during the combustion mode transition is the key for a smooth combustion mode transition. As a summary, the proposed combust

  13. Flex Fuel Optimized SI and HCCI Engine

    Broader source: Energy.gov [DOE]

    2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

  14. DOE-FLEX: DOE's Telework Program

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2012-04-25

    The JM proposes to establish the notice as an Order. The directive is required by the Telework Enhancement Act (TEA) of 2010.

  15. Deployment of FlexCHP System

    Office of Environmental Management (EM)

    Cygan Gas Technology Institute U.S. DOE Advanced Manufacturing Office Peer Review Meeting Washington, D.C. May 6-7, 2014 This presentation does not contain any proprietary, confidential, or otherwise restricted information. Project Objective  Goal  Develop a cost-effective gas turbine based CHP system that improves overall efficiency and meets California Air Resources Board (CARB) 2007 emission standards without catalytic exhaust gas treatment - on target  Objectives  Achieve 84%

  16. The flash pyrolysis and methanolysis of biomass (wood) for production of ethylene, benzene and methanol

    SciTech Connect (OSTI)

    Steinberg, M.; Fallon, P.T.; Sundaram, M.S.

    1990-02-01

    The process chemistry of the flash pyrolysis of biomass (wood) with the reactive gases, H{sub 2} and CH{sub 4} and with the non-reactive gases He and N{sub 2} is being determined in a 1 in. downflow tubular reactor at pressures from 20 to 1000 psi and temperatures from 600 to 1000{degrees}C. With hydrogen, flash hydropyrolysis leads to high yields of methane and CO which can be used for SNG and methanol fuel production. With methane, flash methanolysis leads to high yields of ethylene, benzene and CO which can be used for the production of valuable chemical feedstocks and methanol transportation fuel. At reactor conditions of 50 psi and 1000{degrees}C and approximately 1 sec residence time, the yields based on pine wood carbon conversion are up to 25% for ethylene, 25% for benzene, and 45% for CO, indicating that over 90% of the carbon in pine is converted to valuable products. Pine wood produces higher yields of hydrocarbon products than Douglas fir wood; the yield of ethylene is 2.3 times higher with methane than with helium or nitrogen, and for pine, the ratio is 7.5 times higher. The mechanism appears to be a free radical reaction between CH{sub 4} and the pyrolyzed wood. There appears to be no net production or consumption of methane. A preliminary process design and analysis indicates a potentially economical competitive system for the production of ethylene, benzene and methanol based on the methanolysis of wood. 10 refs., 18 figs., 1 tab.

  17. Liquid phase methanol LaPorte process development unit: Modification, operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1990-11-09

    As part of the liquid phase methanol process development program the present study evaluated adsorptive schemes to remove catalyst poisons from coal gas at pilot scale. In addition to a lab test with coal gas from Coolwater, two field tests were performed at Great Plains with live coal gas. In the lab with Coolwater, gas iron carbonyl, carbonyl sulfide,and hydrogen sulfide were effectively removed from the coal gas. The capacities of H-Y zeolite and BPL carbon for Fe(CO){sub 5} agreed well with the previous bench scale results at similar CO{sub 2} partial pressure. COS appeared to be chemisorbed on FCA carbon; its capacity was non-regenerable by hot nitrogen purge. A Cu/Zn catalyst, used to remove H{sub 2}S adsorptively, worked adequately. With the adsorption system on-line, a downstream methanol catalyst showed stable activity for 120 hours of operation. In the two field tests, it was demonstrated that the Great Plains (GP) syngas could be treated by adsorption for LPMEOH process. The catalyst deactivation observed in the first field test was much improved in the second field test after regular (every three days) regeneration of the adsorbents was practiced. The absorption system, which was designed for the removal of iron/nickel carbonyls, hydrogen/carbonyl sulfide and hydrochloric acid, needed to be modified to accommodate other unexpected impurities, such as acetonitrile and ethylene which were observed during both field tests. A lab test with a simulated GP gas indicated that low CO{sub 2} content (0.5%) in the GP gas does not cause catalyst deactivation. Adjusting the CO{sub 2} content of the feed to 5% by CO{sub 2} addition, increased methanol productivity by 40% in both the lab and the second field test. 6 refs., 25 figs., 14 tabs.

  18. Hydrogen production from the steam reforming of Dinethyl Ether and Methanol

    SciTech Connect (OSTI)

    Semelsberger, T. A.; Borup, R. L.

    2004-01-01

    This study investigates dimethyl ether (DME) steam reforming for the generation of hydrogen rich fuel cell feeds for fuel cell applications. Methanol has long been considered as a fuel for the generation of hydrogen rich fuel cell feeds due to its high energy density, low reforming temperature, and zero impurity content. However, it has not been accepted as the fuel of choice due its current limited availability, toxicity and corrosiveness. While methanol steam reforming for the generation of hydrogen rich fuel cell feeds has been extensively studied, the steam reforming of DME, CH{sub 3}OCH{sub 3} + 3H{sub 2}O = 2CO{sub 2} + 6H{sub 2}, has had limited research effort. DME is the simplest ether (CH{sub 3}OCH{sub 3}) and is a gas at ambient conditions. DME has physical properties similar to those of LPG fuels (i.e. propane and butane), resulting in similar storage and handling considerations. DME is currently used as an aerosol propellant and has been considercd as a diesel substitute due to the reduced NOx, SOx and particulate emissions. DME is also being considered as a substitute for LPG fuels, which is used extensively in Asia as a fuel for heating and cooking, and naptha, which is used for power generation. The potential advantages of both methanol and DME include low reforming temperature, decreased fuel proccssor startup energy, environmentally benign, visible flame, high heating value, and ease of storage and transportation. In addition, DME has the added advantages of low toxicity and being non-corrosive. Consequently, DME may be an ideal candidate for the generation of hydrogen rich fuel cell feeds for both automotive and portable power applications. The steam reforming of DME has been demonstrated to occur through a pair of reactions in series, where the first reaction is DME hydration followed by MeOH steam reforming to produce a hydrogen rich stream.

  19. Methane and methanol oxidation in supercritical water: Chemical kinetics and hydrothermal flame studies

    SciTech Connect (OSTI)

    Steeper, R.R.

    1996-01-01

    Supercritical water oxidation (SCWO) is an emerging technology for the treatment of wastes in the presence of a large concentration of water at conditions above water`s thermodynamic critical point. A high-pressure, optically accessible reaction cell was constructed to investigate the oxidation of methane and methanol in this environment. Experiments were conducted to examine both flame and non-flame oxidation regimes. Optical access enabled the use of normal and shadowgraphy video systems for visualization, and Raman spectroscopy for in situ measurement of species concentrations. Flame experiments were performed by steadily injecting pure oxygen into supercritical mixtures of water and methane or methanol at 270 bar and at temperatures from 390 to 510{degrees}C. The experiments mapped conditions leading to the spontaneous ignition of diffusion flames in supercritical water. Above 470{degrees}C, flames spontaneously ignite in mixtures containing only 6 mole% methane or methanol. This data is relevant to the design and operation of commercial SCWO processes that may be susceptible to inadvertent flame formation. Non-flame oxidation kinetics experiments measured rates of methane oxidation in supercritical water at 270 bar and at temperatures from 390 to 442{degrees}C. The initial methane concentration was nominally 0.15 gmol/L, a level representative of commercial SCWO processes. The observed methane concentration histories were fit to a one-step reaction rate expression indicating a reaction order close to two for methane and zero for oxygen. Experiments were also conducted with varying water concentrations (0 to 8 gmol/L) while temperature and initial reactant concentrations were held constant. The rate of methane oxidation rises steadily with water concentration up to about 5 gmol/L and then abruptly falls off at higher concentrations.

  20. Methanol as a fuel for a lean turbocharged spark ignition engine

    SciTech Connect (OSTI)

    Pannone, G.M.; Johnson, R.T.

    1989-01-01

    Lean turbocharged operation with methanol was characterized using a single-cylinder spark, ignition engine. Efficiency, exhaust emissions, and combustion properties were measured over a range of air/fuel ratios at two naturally-aspirated and three turbocharged conditions. When compared to stoichiometric, naturally-aspirated operation, the lean turbocharged conditions improved efficiency while reducing carbon monoxide and oxides of nitrogen emissions. However, unburned fuel and aldehyde emissions increased. If used in conjunction with an oxidizing catalyst and appropriate feedback controls, lean turbocharged operation has the potential of improving efficiency and exhaust emissions performance over a stoichiometric, three-way catalyst system.

  1. Oxidative decomposition of methanol on subnanometer palladium clusters : the effect of catalyst size and support composition.

    SciTech Connect (OSTI)

    Lee, S.; Lee, B.; Mehmood, F.; Seifert, S.; Libera, J. A.; Elam, J. W.; Greeley, J.; Zapol, P.; Curtiss, L. A.; Pellin, M. J.; Stair, P. C.; Winans, R. E; Vajda, S.; Northwestern Univ.

    2010-06-17

    Size and support effects in the oxidative decomposition of methanol on amorphous alumina supported subnanometer palladium clusters were studied under realistic reaction conditions of pressure and temperature. The smaller Pd{sub 8-12} clusters were found to promote the decomposition channel to CO and hydrogen, however with mediocre activity due to poisoning. The larger Pd{sub 15-18} clusters preferentially produce dimethyl ether and formaldehyde, without signs of posioning. A thin titania overcoat applied on the Pd{sub 15-18} improves the sintering-resistance of the catalyst. Accompanying density functional calculations confirm the posioning of small Pd clusters by CO.

  2. Oxidative Decomposition of Methanol on Subnanometer Palladium Clusters: The Effect of Catalyst Size and Support Composition

    SciTech Connect (OSTI)

    Lee, Sungsik; Lee, Byeongdu; Mehmood, Faisal; Seifert, Soenke; Libera, Joseph A.; Elam, J. W.; Greeley, Jeffrey P.; Zapol, Peter; Curtiss, Larry A.; Pellin, M. J.; Stair, Peter C.; Winans, R. E.; Vajda, S.

    2010-05-31

    Size and support effects in the oxidative decomposition of methanol on amorphous alumina supported subnanometer palladium clusters were studied under realistic reaction conditions of pressure and temperature. The smaller Pd8-12 clusters were found to promote the decomposition channel to CO and hydrogen, however with mediocre activity due to poisoning. The larger Pd15-18 clusters preferentially produce dimethyl ether and formaldehyde, without signs of posioning. A thin titania overcoat applied on the Pd15-18 improves the sintering-resistance of the catalyst. Accompanying density functional calculations confirm the posioning of small Pd clusters by CO.

  3. Commercial-Scale Demonstration of the Liquid Phase Methanol (LOMEOH(TM)) Process

    SciTech Connect (OSTI)

    1996-03-31

    The Liquid Phase Methanol (LPMEOEP") Demonstration Project at K.ingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L, P. (the Partnership). The LPMEOHY Process Demonstration Unit is being built at a site located at the Eastman Chemical Company (Eastman) complex in Kingsport. On 4 October 1994, Air Products and Chemicals, Inc. (Air Products) and signed the agreements that would form the Partnership, secure the demonstration site, and provide the financial commitment and overall project management for the project. These partnership agreements became effective on 15 March 1995, when DOE authorized the commencement of Budget Period No. 2 (Mod. AO08 to the Cooperative Agreement). The Partnership has subcontracted with Air Products to provide the overall management of the project, and to act as the primary interface with DOE. As subcontractor to the Partnership, Air Products will also provide the engineering design, procurement, construction, and commissioning of the LPMEOHTM Process Demonstration Unit, and will provide the technical and engineering supervision needed to conduct the operational testing program required as part of the project. As subcontractor to Air Products, Eastman will be responsible for operation of the LPMEOHTM Process Demonstration Unit, and for the interconnection and supply of synthesis gas, utilities, product storage, and other needed sewices. The project involves the construction of an 80,000 gallons per day (260 tons-per-day (TPD)) methanol unit utilizing coal-derived synthesis gas fi-om Eastman's integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOHTM process is ideally suited for directly processing gases produced by modern day coal gasifiers. Originally tested at a small 3,200 gallons per day, DOE-owned experimental unit in LaPorte, Texas, the technology provides several improvements essential for the economic coproduction of methanol and electricity directly from gasified coal. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface, protecting the catalyst and allowing the methanol synthesis reaction to proceed at higher rates.

  4. Synthesis of methanol and dimethyl ether from syngas over Pd/ZnO/Al2O3 catalysts

    SciTech Connect (OSTI)

    Lebarbier, Vanessa M.; Dagle, Robert A.; Kovarik, Libor; Lizarazo-Adarme, Jair A.; King, David L.; Palo, Daniel R.

    2012-01-01

    A Pd/ZnO/Al2O3 catalyst was developed for the synthesis of methanol and dimethyl ether (DME) from syngas. Studied were temperatures of operation ranging from 250C to 380C. High temperatures (e.g. 380C) are necessary when combining methanol and DME synthesis with a methanol to gasoline (MTG) process in a single reactor bed. A commercial Cu/ZnO/Al2O3 catalyst, utilized industrially for the synthesis of methanol at 220-280C, suffers from a rapid deactivation when the reaction is conducted at high temperature (>320C). On the contrary, a Pd/ZnO/Al2O3 catalyst was found to be highly stable for methanol and DME synthesis at 380C. The Pd/ZnO/Al2O3 catalyst was thus further investigated for methanol and DME synthesis at P=34-69 bars, T= 250-380C, GHSV= 5 000-18 000 h-1, and molar feeds H2/CO= 1, 2, and 3. Selectivity to DME increased with decreasing operating temperature, and increasing operating pressure. Increased GHSVs and H2/CO syngas feed ratios also enhanced DME selectivity. Undesirable CH4 formation was observed, however, can be minimized through choice of process conditions and by catalyst design. By studying the effect of the Pd loading and the Pd:Zn molar ratio the formulation of the Pd/ZnO/Al2O3 catalyst was optimized. A catalyst with 5% Pd and a Pd:Zn molar ratio of 0.25:1 has been identified as the preferred catalyst. Results indicate that PdZn particles are more active than Pd particles for the synthesis of methanol and less active for CH4 formation. A correlation between DME selectivity and the concentration of acid sites of the catalysts has been established. Hence, two types of sites are required for the direct conversion of syngas to DME: 1) PdZn particles are active for the synthesis of methanol from syngas, and 2) acid sites which are active for the conversion of methanol to DME. Additionally, CO2 formation was problematic as PdZn was found to be active for the water-gas-shift (WGS) reaction, under all the conditions evaluated.

  5. Molecular Mechanism of the Adsorption Process of an Iodide Anion into Liquid-Vapor Interfaces of Water-Methanol Mixtures

    SciTech Connect (OSTI)

    Annapureddy, Harsha V.; Dang, Liem X.

    2012-12-07

    To enhance our understanding of the molecular mechanism of ion adsorption to the interface of mixtures, we systematically carried out a free energy calculations study involving the transport of an iodide anion across the interface of a water-methanol mixture. Many body affects are taken into account to describe the interactions among the species. The surface propensities of I- at interfaces of pure water and methanol are well understood. In contrast, detailed knowledge of the molecular level adsorption process of I- at aqueous mixture interfaces has not been reported. In this paper, we explore how this phenomenon will be affected for mixed solvents with varying compositions of water and methanol. Our potential of mean force study as function of varying compositions indicated that I- adsorption free energies decrease from pure water to pure methanol but not linearly with the concentration of methanol. We analyze the computed density profiles and hydration numbers as a function of concentrations and ion positions with respect to the interface to further explain the observed phenomenon. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle. The calculations were carried out using computer resources provided by BES.

  6. Analysis of depolarization ratios of ClNO{sub 2} dissolved in methanol

    SciTech Connect (OSTI)

    Trimithioti, Marilena; Hayes, Sophia C.; Akimov, Alexey V.; Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973 ; Prezhdo, Oleg V.

    2014-01-07

    A detailed analysis of the resonance Raman depolarization ratio dispersion curve for the NO symmetric stretch of nitryl chloride in methanol at excitation wavelengths spanning the D absorption band is presented. The depolarization ratios are modeled using the time-dependent formalism for Raman scattering with contributions from two excited states (2{sup 1}A{sub 1} and 3{sup 1}B{sub 1}), which are taken as linearly dissociative along the ClN coordinate. The analysis focuses on the interplay between different types of broadening revealing the importance of inhomogenous broadening in determining the relative contributions of the two electronic transitions. We find that the transition dipole moment (M) for 2{sup 1}A{sub 1} is greater than for 3{sup 1}B{sub 1}, in agreement with gas phase calculations in the literature [A. Lesar, M. Hdoscek, M. Muhlhauser, and S. D. Peyerimhoff, Chem. Phys. Lett. 383, 84 (2004)]. However, we find that the polarity of the solvent influences the excited state energetics, leading to a reversal in the ordering of these two states with 3{sup 1}B{sub 1} shifting to lower energies. Molecular dynamics simulations along with linear response and ab initio calculations support the evidence extracted from resonance Raman intensity analysis, providing insights on ClNO{sub 2} electronic structure, solvation effects in methanol, and the source of broadening, emphasizing the importance of a contribution from inhomogeneous linewidth.

  7. Adsorptive removal of catalyst poisons from coal gas for methanol synthesis

    SciTech Connect (OSTI)

    Bhatt, B.L.; Golden, T.C.; Hsiung, T.H. (Air Products and Chemicals, Inc., Allentown, PA (United States))

    1991-12-01

    As an integral part of the liquid-phase methanol (LPMEOH) process development program, the present study evaluated adsorptive schemes to remove traces of catalyst poisons such as iron carbonyl, carbonyl sulfide, and hydrogen sulfide from coal gas on a pilot scale. Tests were conducted with coal gas from the Cool Water gasification plant at Daggett, California. Iron carbonyl, carbonyl sulfide, and hydrogen sulfide were effectively removed from the coal gas. The adsorption capacities of Linde H-Y zeolite and Calgon BPL carbon for Fe(CO){sub 5} compared well with previous bench-scale results at similar CO{sub 2} partial pressure. Adsorption of COS by Calgon FCA carbon appeared to be chemical and nonregenerable by thermal treatment in nitrogen. A Cu/Zn catalyst removed H{sub 2}S very effectively. With the adsorption system on-line, a methanol catalyst showed stable activity during 120 h operation, demonstrating the feasibility of adsorptive removal of trace catalyst poisons from the synthesis gas. Mass transfer coefficients were estimated for Fe(CO){sub 5} and COS removal which can be directly used for design and scale up.

  8. Oxidation of methanol on single crystal platinum electrodes in alkaline solution

    SciTech Connect (OSTI)

    Tripkovic, A.V.; Marinkovic, N.; Adzic, R.R.

    1995-10-01

    Methanol oxidation has been studied on three low-index single crystal Pt electrodes and four stepped surfaces, vicinal to the (111) and (100) orientations in alkaline solutions. Considering the onset of the reaction, it appears that the activity decreases in the sequence Pt(100), Pt(110) and Pt(111). This can also be inferred from the quasi-steady-state measurements. The current peaks, observed at different potentials, show the highest activity of Pt(111). The steps cause increase of the surface activity, but are prone to a fast poisoning. The reaction involves a formation of a small amount of CO on Pt(100) but a negligible amount on Pt(111). This was inferred from the in situ FTIR measurements. Two different reaction mechanisms were identified for the Pt(111) and Pt(100). The data clearly show that a large difference of the activity of Pt for methanol oxidation in acid and alkaline solutions originates in a smaller or negligible poisoning effects in alkaline solutions.

  9. MOLECULAR SIEVES AS CATALYSTS FOR METHANOL DEHYDRATION IN THE LPDMEtm PROCESS

    SciTech Connect (OSTI)

    Andrew W. Wang

    2002-04-01

    Several classes of molecular sieves were investigated as methanol dehydration catalysts for the LPDME{trademark} (liquid-phase dimethyl ether) process. Molecular sieves offer a number of attractive features as potential catalysts for the conversion of methanol to DME. These include (1) a wide range of acid strengths, (2) diverse architectures and channel connectivities that provide latitude for steric control, (3) high active site density, (4) well-investigated syntheses and characterization, and (5) commercial availability in some cases. We directed our work in two areas: (1) a general exploration of the catalytic behavior of various classes of molecular sieves in the LPDME{trademark} system and (2) a focused effort to prepare and test zeolites with predominantly Lewis acidity. In our general exploration, we looked at such diverse materials as chabazites, mordenites, pentasils, SAPOs, and ALPOs. Our work with Lewis acidity sought to exploit the structural advantages of zeolites without the interfering effects of deleterious Broensted sites. We used zeolite Ultrastable Y (USY) as our base material because it possesses a high proportion of Lewis acid sites. This work was extended by modifying the USY through ion exchange to try to neutralize residual Broensted acidity.

  10. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1996-12-31

    The Liquid Phase Methanol (LPMEOH(TM)) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). The LPMEOIWM Process Demonstration Unit is being built at a site located at the Eastman Chemical Company (Eastman) complex in Kingsport. During this quarter, the Cooperative Agreement was modified (Mod AO11) on 8 October 1996, authorizing the transition born Budget Period No. 2 (Design and Construction) to the . final Budget Period (Commissioning, Start-up, and Operation), A draft Topical Report on Process Economics Studies concludes that methanol coproduction with integrated gasification combined cycle (IGCC) electric power utilizing the LPMEOW process technology, will be competitive in serving local market needs. Planning for a proof-of- concept test run of the liquid phase dimethyl ether (DME) process at the LaPorte Alternative Fuels Development Unit (AFDU) was recommended; and a deeision to proceed is pending. Construction (Task 2.2) is 97'Mo complete, asof31 December 1996. Completion of pipe pressure testing has taken longer than expected. This will delay completion of construction by about three weeks. Commissioning activities (Task 2.3) commenced in mid-October of 1996, and the demonstration unit is scheduled to be mechanically complete on 24 January 1997.

  11. Trends in Methanol Decomposition on Transition Metal Alloy Clusters from Scaling and BrnstedEvansPolanyi Relationships

    SciTech Connect (OSTI)

    Mehmood, Faisal; Rankin, Rees B.; Greeley, Jeffrey P.; Curtiss, Larry A.

    2012-05-15

    A combination of ?rst principles Density Functional Theory calculations and thermochemical scaling relationships are employed to estimate the thermochemistry and kinetics of methanol decomposition on unsupported subnanometer metal clusters. The approach uses binding energies of various atomic and molecular species, determined on the pure metal clusters, to develop scaling relationships that are then further used to estimate the methanol decomposition thermodynamics for a series of pure and bimetallic clusters with four atoms per cluster. Additionally, activation energy barriers are estimated from BrnstedEvansPolanyi plots relating transition and ?nal state energies on these clusters. The energetic results are combined with a simple, microkineticallyinspired rate expression to estimate reaction rates as a function of important catalytic descriptors, including the carbon and atomic oxygen binding energies to the clusters. Based on these analyses, several alloy clusters are identi?ed as promising candidates for the methanol decomposition reaction.

  12. A 95 GHz CLASS I METHANOL MASER SURVEY TOWARD A SAMPLE OF GLIMPSE POINT SOURCES ASSOCIATED WITH BGPS CLUMPS

    SciTech Connect (OSTI)

    Chen Xi; Gan Conggui; Shen Zhiqiang; An Tao; Ellingsen, Simon P.; He Jinhua

    2012-05-01

    We report a survey with the Purple Mountain Observatory 13.7 m radio telescope for class I methanol masers from the 95 GHz (8{sub 0}-7{sub 1} A{sup +}) transition. Two hundred and fourteen target sources were selected by combining information from both the Spitzer GLIMPSE and 1.1 mm Bolocam Galactic Plane Survey (BGPS) catalogs. The observed sources satisfy the GLIMPSE mid-IR criteria of [3.6]-[4.5] > 1.3, [3.6]-[5.8] > 2.5, [3.6]-[8.0] > 2.5 and 8.0 {mu}m mag less than 10; they also have an associated 1.1 mm BGPS source. Class I methanol maser emission was detected in 63 sources, corresponding to a detection rate of 29% for this survey. For the majority of detections (43), this is the first identification of class I methanol masers associated with these sources. We show that the intensity of the class I methanol maser emission is not closely related to mid-IR intensity or the colors of the GLIMPSE point sources; however, it is closely correlated with properties (mass and beam-averaged column density) of the BGPS sources. Comparison of measures of star formation activity for the BGPS sources with and without class I methanol masers indicates that the sources with class I methanol masers usually have higher column density and larger flux density than those without them. Our results predict that the criteria log (S{sub int}) {<=} -38.0 + 1.72log (N{sup beam}{sub H{sub 2}}) and log (N{sub H{sub 2}{sup beam}}){>=}22.1, which utilizes both the integrated flux density (S{sub int}) and beam-averaged column density (N{sub H{sub 2}{sup beam}}) of the BGPS sources, are very efficient for selecting sources likely to have an associated class I methanol maser. Our expectation is that searches using these criteria will detect 90% of the predicted number of class I methanol masers from the full BGPS catalog ({approx}1000), and that they will do so with a high detection efficiency ({approx}75%).

  13. SHAPE SELECTIVE NANO-CATALYSTS: TOWARD DIRECT METHANOL FUEL CELLS APPLICATIONS

    SciTech Connect (OSTI)

    Murph, S.

    2010-06-16

    A series of bimetallic core-shell-alloy type Au-Pt nanomaterials with various morphologies, aspect ratios and compositions, were produced in a heterogenous epitaxial fashion. Gold nanoparticles with well-controlled particle size and shape, e.g. spheres, rods and cubes, were used as 'seeds' for platinum growth in the presence of a mild reducing agent, ascorbic acid and a cationic surfactant cethyltrimethyl ammonium bromide (CTAB). The reactions take place in air and water, and are quick, economical and amenable for scaling up. The synthesized nanocatalysts were characterized by electron microscopy techniques and energy dispersive X-ray analysis. Nafion membranes were embedded with the Au-Pt nanomaterials and analyzed by atomic force microscopy (AFM) and scanning electron microscopy (SEM) for their potential in direct methanol fuel cells applications.

  14. Catalyst inks and method of application for direct methanol fuel cells

    DOE Patents [OSTI]

    Zelenay, Piotr (Los Alamos, NM); Davey, John (Los Alamos, NM); Ren, Xiaoming (Los Alamos, NM); Gottesfeld, Shimshon (Los Alamos, NM); Thomas, Sharon C. (Vancouver, CA)

    2004-02-24

    Inks are formulated for forming anode and cathode catalyst layers and applied to anode and cathode sides of a membrane for a direct methanol fuel cell. The inks comprise a Pt catalyst for the cathode and a Pt--Ru catalyst for the anode, purified water in an amount 4 to 20 times that of the catalyst by weight, and a perfluorosulfonic acid ionomer in an amount effective to provide an ionomer content in the anode and cathode surfaces of 20% to 80% by volume. The inks are prepared in a two-step process while cooling and agitating the solutions. The final solution is placed in a cooler and continuously agitated while spraying the solution over the anode or cathode surface of the membrane as determined by the catalyst content.

  15. Advanced Solution Methods for Microkinetic Models of Catalytic Reactions: A Methanol Synthesis Case Study

    SciTech Connect (OSTI)

    Rubert-Nason, Patricia; Mavrikakis, Manos; Maravelias, Christos T.; Grabow, Lars C.; Biegler, Lorenz T.

    2014-04-01

    Microkinetic models, combined with experimentally measured reaction rates and orders, play a key role in elucidating detailed reaction mechanisms in heterogeneous catalysis and have typically been solved as systems of ordinary differential equations. In this work, we demonstrate a new approach to fitting those models to experimental data. For the specific example treated here, by reformulating a typical microkinetic model for a continuous stirred tank reactor to a system of nonlinear equations, we achieved a 1000-fold increase in solution speed. The reduced computational cost allows a more systematic search of the parameter space, leading to better fits to the available experimental data. We applied this approach to the problem of methanol synthesis by CO/CO2 hydrogenation over a supported-Cu catalyst, an important catalytic reaction with a large industrial interest and potential for large-scale CO2 chemical fixation.

  16. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-06-30

    The Liquid Phase Methanol (LPMEOHTM) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOIYM Process Demonstration Unit was built at a site located at the Eastman complex in Kingsport. During this quarter, comments from the DOE on the Topical Report "Economic Analysis - LPMEOHTM Process as an Add-on to IGCC for Coproduction" were received. A recommendation to continue with design verification testing for the coproduction of dimethyl ether (DIME) and methanol was made. DME design verification testing studies show the liquid phase DME (LPDME) process will have a significant economic advantage for the coproduction of DME for local markets. An LPDME catalyst system with reasonable long-term activity and stability is being developed. A recommendation document summarizing catalyst targets, experimental results, and the corresponding economics for a commercially successful LPDME catalyst was issued on 30 June 1997. The off-site, product-use test plan was updated in June of 1997. During this quarter, Acurex Environmental Corporation and Air Products screened proposals for this task by the likelihood of the projects to proceed and the timing for the initial methanol requirement. Eight sites from the list have met these criteria. The formal submission of the eight projects for review and concurrence by the DOE will be made during the next reporting period. The site paving and final painting were completed in May of 1997. Start-up activities were completed during the reporting period, and the initial methanol production from the demonstration unit occurred on 02 April 1997. The first extended stable operation at the nameplate capacity of 80,000 gallons per day (260 tons per day) took place on 06 April 1997. Pressure drop and resistance coefficient across the gas sparger at the bottom of the reactor increased over this initial operating period. The demonstration unit was shut down from 08 May -17 June 1997 as part of a scheduled complex outage for the Kingsport site. During this outage, the gas sparger was removed, cleaned, and reinstalled. After completion of other maintenance activities, the demonstration unit was restarted, and maintained stable operation through the remainder of the reporting period. Again, the gas sparger showed an increase in pressure drop and resistance since the restart, although not as rapidly as during the April-May operation. Fresh oil was introduced online for the first time to a new flush connection on the gas inlet line to the reactov the flush lowered the pressure drop by 1 psi. However, the effects were temporary, and the sparger resistance coefficient continued to increase. Additional flushing with both fresh oil and entrained slurry recovered in the cyclone and secondary oil knock-out drum will be attempted in order to stabilize the sparger resistance coefficient.

  17. A comparative density functional study of methanol decomposition on Cu{sub 4} and Co{sub 4} clusters.

    SciTech Connect (OSTI)

    Mehmood, F.; Greeley, J.; Zapol, P.; Curtiss, L. A.

    2010-08-12

    A density functional theory study of the decomposition of methanol on Cu{sub 4} and Co{sub 4} clusters is presented. The reaction intermediates and activation barriers have been determined for reaction steps to form H{sub 2} and CO. For both clusters, methanol decomposition initiated by C-H and O-H bond breaking was investigated. In the case of a Cu{sub 4} cluster, methanol dehydrogenation through hydroxymethyl (CH{sub 2}OH), hydroxymethylene (CHOH), formyl (CHO), and carbon monoxide (CO) is found to be slightly more favorable. For a Co{sub 4} cluster, the dehydrogenation pathway through methoxy (CH{sub 3}O) and formaldehyde (CH{sub 2}O) is slightly more favorable. Each of these pathways results in formation of CO and H{sub 2}. The Co cluster pathway is very favorable thermodynamically and kinetically for dehydrogenation. However, since CO binds strongly, it is likely to poison methanol decomposition to H{sub 2} and CO at low temperatures. In contrast, for the Cu cluster, CO poisoning is not likely to be a problem since it does not bind strongly, but the dehydrogenation steps are not energetically favorable. Pathways involving C-O bond cleavage are even less energetically favorable. The results are compared to our previous study of methanol decomposition on Pd{sub 4} and Pd{sub 8} clusters. Finally, all reaction energy changes and transition state energies, including those for the Pd clusters, are related in a linear, Broensted?Evans?Polanyi plot.

  18. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{sup trademark}) process. Third quarterly report, 1996

    SciTech Connect (OSTI)

    1997-09-01

    The Liquid Phase Methanol (LPMEOH)(TM) demonstration project at King sport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L. P. (the Partnership). A demonstration unit producing 80,000 gallons per day (260 TPD) of methanol is being designed and constructed at a site located at the Eastman Chemical Company (Eastman) complex in Kingsport. The Partnership will own and operate the facility for the four year demonstration period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to `demonstrate the production of methanol using the LPMEOH(TM) Process in conjunction with an integrated coal gasification facility.` The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four year demonstration period. The LPMEOH(TM) process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfully piloted at a 10-TPD rate in the DOE-owned experimental unit at Air Products` LaPorte, Texas, site. This demonstration project is the culmination of that extensive cooperative development effort.

  19. Single-Step Syngas-to-Distillates (S2D) Synthesis via Methanol and Dimethyl Ether Intermediates: Final Report

    SciTech Connect (OSTI)

    Dagle, Robert A.; Lebarbier, Vanessa MC; Lizarazo Adarme, Jair A.; King, David L.; Zhu, Yunhua; Gray, Michel J.; Jones, Susanne B.; Biddy, Mary J.; Hallen, Richard T.; Wang, Yong; White, James F.; Holladay, Johnathan E.; Palo, Daniel R.

    2013-11-26

    The objective of the work was to enhance price-competitive, synthesis gas (syngas)-based production of transportation fuels that are directly compatible with the existing vehicle fleet (i.e., vehicles fueled by gasoline, diesel, jet fuel, etc.). To accomplish this, modifications to the traditional methanol-to-gasoline (MTG) process were investigated. In this study, we investigated direct conversion of syngas to distillates using methanol and dimethyl ether intermediates. For this application, a Pd/ZnO/Al2O3 (PdZnAl) catalyst previously developed for methanol steam reforming was evaluated. The PdZnAl catalyst was shown to be far superior to a conventional copper-based methanol catalyst when operated at relatively high temperatures (i.e., >300°C), which is necessary for MTG-type applications. Catalytic performance was evaluated through parametric studies. Process conditions such as temperature, pressure, gas-hour-space velocity, and syngas feed ratio (i.e., hydrogen:carbon monoxide) were investigated. PdZnAl catalyst formulation also was optimized to maximize conversion and selectivity to methanol and dimethyl ether while suppressing methane formation. Thus, a PdZn/Al2O3 catalyst optimized for methanol and dimethyl ether formation was developed through combined catalytic material and process parameter exploration. However, even after compositional optimization, a significant amount of undesirable carbon dioxide was produced (formed via the water-gas-shift reaction), and some degree of methane formation could not be completely avoided. Pd/ZnO/Al2O3 used in combination with ZSM-5 was investigated for direct syngas-to-distillates conversion. High conversion was achieved as thermodynamic constraints are alleviated when methanol and dimethyl are intermediates for hydrocarbon formation. When methanol and/or dimethyl ether are products formed separately, equilibrium restrictions occur. Thermodynamic relaxation also enables the use of lower operating pressures than what would be allowed for methanol synthesis alone. Aromatic-rich hydrocarbon liquid (C5+), containing a significant amount of methylated benzenes, was produced under these conditions. However, selectivity control to liquid hydrocarbons was difficult to achieve. Carbon dioxide and methane formation was problematic. Furthermore, saturation of the olefinic intermediates formed in the zeolite, and necessary for gasoline production, occurred over PdZnAl. Thus, yield to desirable hydrocarbon liquid product was limited. Evaluation of other oxygenate-producing catalysts could possibly lead to future advances. Potential exists with discovery of other types of catalysts that suppress carbon dioxide and light hydrocarbon formation. Comparative techno-economics for a single-step syngas-to-distillates process and a more conventional MTG-type process were investigated. Results suggest operating and capital cost savings could only modestly be achieved, given future improvements to catalyst performance. Sensitivity analysis indicated that increased single-pass yield to hydrocarbon liquid is a primary need for this process to achieve cost competiveness.

  20. Single and double resonance spectroscopy of methanol embedded in superfluid helium nanodroplets

    SciTech Connect (OSTI)

    Raston, Paul L.; Douberly, Gary E.; Jger, Wolfgang

    2014-07-28

    Methanol is one of the simplest molecules that undergo torsional oscillations, and so it has been extensively studied in the gas phase by various spectroscopic techniques. At 300 K, a large number of rotational, torsional, and vibrational energy levels is populated, and this makes for a rather complicated spectrum, which is still not fully understood. It is expected that in going from 300 K to 0.4 K (the temperature of helium nanodroplets) the population distribution of methanol will mainly collapse into two states; the J{sub K} = 0{sub 0} state for the A{sub 1} nuclear spin symmetry species (with I{sub CH{sub 3}} = 3/2), and the J{sub K} = 1{sub ?1} state for the E species (I{sub CH{sub 3}} = 1/2). This results in a simplified spectrum that consists of narrow a-type (?K = 0) lines and broader b- and c-type (?K = 1) lines. We have recorded the rotovibrational spectrum of CH{sub 3}OH in the OH stretching, CH{sub 3} stretching and bending, CH{sub 3} rocking, and CO stretching regions, and have firmly assigned five bands (v{sub 1}, v{sub 2}, v{sub 3}, v{sub 7}, and v{sub 8}), and tentatively assigned five others (v{sub 9}, 2v{sub 4}, v{sub 4} + v{sub 10}, 2v{sub 10}, and v{sub 4} + v{sub 5}). To our knowledge, the transitions we have assigned within the v{sub 4} + v{sub 10}, 2v{sub 10}, and v{sub 4} + v{sub 5} bands have not yet been assigned in the gas phase, and we hope that considering the very small matrix shift in helium nanodroplets (<1 cm{sup ?1} for most subband origins of CH{sub 3}OH), those made here can aid in their gas phase identification. Microwave-infrared double resonance spectroscopy was used to confirm the initially tentative a-type infrared assignments in the OH stretching (v{sub 1}) band of A{sub 1} species methanol, in addition to revealing warm b-type lines. From a rotovibrational analysis, the B rotational constant is found to be reduced quite significantly (56%) with respect to the gas phase, and the torsional tunneling splittings are relatively unaffected and are at most reduced by 16%. While most rovibrational peaks are Lorentzian shaped, and those which are significantly perturbed by vibrational coupling in the gas phase are additionally broadened, the narrowest ?J = +1 peaks are asymmetric, and a skew-type analysis suggests that the response time of the helium solvent upon excitation is of the order of 1 ns.

  1. WABASH RIVER INTEGRATED METHANOL AND POWER PRODUCTION FROM CLEAN COAL TECHNOLOGIES (IMPPCCT)

    SciTech Connect (OSTI)

    Albert Tsang

    2003-03-14

    The Wabash River Integrated Methanol and Power Production from Clean Coal Technologies (IMPPCCT) project is evaluating integrated electrical power generation and methanol production through clean coal technologies. The project is conducted by a multi-industry team lead by Gasification Engineering Corporation (GEC), and supported by Air Products and Chemicals, Inc., Dow Chemical Company, Dow Corning Corporation, Methanex Corporation, and Siemens Westinghouse Power Corporation. Three project phases are planned for execution, including: (1) Feasibility study and conceptual design for an integrated demonstration facility, and for fence-line commercial embodiment plants (CEP) operated at Dow Chemical or Dow Corning chemical plant locations (2) Research, development, and testing (RD&T) to define any technology gaps or critical design and integration issues (3) Engineering design and financing plan to install an integrated commercial demonstration facility at the existing Wabash River Energy Limited (WREL) plant in West Terre Haute, Indiana. The WREL facility is a project selected and co-funded under the Round IV of the United States Department of Energy's (DOE's) Clean Coal Technology Program. In this project, coal and/or other solid fuel feedstocks are gasified in an oxygen-blown, entrained-flow gasifier with continuous slag removal and a dry particulate removal system. The resulting product synthesis gas is used to fuel a combustion turbine generator whose exhaust is integrated with a heat recovery steam generator to drive a refurbished steam turbine generator. The gasifier uses technology initially developed by The Dow Chemical Company (the Destec Gasification Process), and now offered commercially by Global Energy, Inc., parent company of GEC and WREL, as the E-GAS{trademark} technology. In a joint effort with the DOE, a Cooperative Agreement was awarded under the Early Entrance Coproduction Plant (EECP) solicitation. GEC and an Industrial Consortium are investigating the use of synthesis gas produced by the E-GAS{trademark} technology in a coproduction environment to enhance the efficiency and productivity of solid fuel gasification combined cycle power plants. The objectives of this effort are to determine the feasibility of an EECP located at a specific site which produces some combination of electric power (or heat), fuels, and/or chemicals from synthesis gas derived from coal, or, coal in combination with some other carbonaceous feedstock. The project's intended result is to provide the necessary technical, economic, and environmental information that will be needed to move the EECP forward to detailed design, construction, and operation by industry. During the reporting period, effort continues on identifying potential technologies for removing contaminants from synthesis gas to the level required by methanol synthesis. A liquid phase Claus process and a direct sulfur oxidation process were evaluated. Preliminary discussion was held with interested parties on cooperating on RD&T in Phase II of the project. Also, significant progress was made during the period in the submission of project deliverables. A meeting was held at DOE's National Energy Technology Laboratory in Morgantown between GEC and the DOE IMPPCCT Project Manager on the status of the project, and reached an agreement on the best way to wrap up Phase I and transition into the Phase II RD&T. Potential projects for the Phase II, cost, and fund availability were also discussed.

  2. EFFECTS OF METAL-SUPPORT INTERACTIONS ON THE SYNTHESIS OF METHANOL OVER PALLADIUM

    SciTech Connect (OSTI)

    Ryndin, Yu A.; Hicks, R. F.; Bell, A. T.; Yermakov, Yu I.

    1980-04-01

    The synthesis of methanol and other products from CO and H{sub 2} was studied over Pd catalysts prepared by adsorption of Pd({pi}-C{sub 3}H{sub 5}){sub 2} on MgO, ZnO, La{sub 2}O{sub 3}, {gamma}-Al{sub 2}O{sub 3} , SiO{sub 2}, TiO{sub 2}, and ZrO{sub 2} as well as over a SiO{sub 2}-supported Pd catalyst prepared from PdCl{sub 2} and Pd black. Both the activity and selectivity of Pd were affected strongly by the nature of the support and the composition of the Pd precursor. The specific activity for methanol synthesis decreased in the order Pd/La{sub 2}O{sub 3} >> Pd/SiO{sub 2} [derived from PdCl{sub 2}] > Pd/ZrO{sub 2} > Pd/ZnO ~ Pd/MgO > PdTiO{sub 2} > Pd/Al{sub 2}O{sub 3} ~ Pd/SiO{sub 2} [derived from Pd({pi}-C{sub 3}H{sub 5}){sub 2}] >> Pd black while the specific activity for hydrocarbon synthesis decreased in the order Pd/TiO{sub 2} > Pd/ZrO{sub 2} > Pd/La{sub 2}O{sub 3}> Pd/Al{sub 2}O{sub 3} ~ Pd/SiO{sub 2} [derived from PdCl{sub 2}] > Pd/SiO{sub 2} [derived from Pd({pi}-C{sub 3}H{sub 5}){sub 2}] ~ Pd black >> Pd/MgO > Pd/ZnO. Dimethyl ether production was observed over four of the catalysts and the activity for formation of this product decreased in the order Pd/Al{sub 2}O{sub 3} >> Pd/TiO{sub 2} >> Pd/MgO ~ Pd/ZrO{sub 2}. The effects of support composition on the catalytic properties of Pd are discussed in the light of current ideas concerning metal-support interactions and the acid-base properties of the support.

  3. A role for glutathione, independent of oxidative stress, in the developmental toxicity of methanol

    SciTech Connect (OSTI)

    Siu, Michelle T.; Shapiro, Aaron M.; Wiley, Michael J.; Wells, Peter G.

    2013-12-15

    Oxidative stress and reactive oxygen species (ROS) have been implicated in the teratogenicity of methanol (MeOH) in rodents, both in vivo and in embryo culture. We explored the ROS hypothesis further in vivo in pregnant C57BL/6J mice. Following maternal treatment with a teratogenic dose of MeOH, 4 g/kg via intraperitoneal (ip) injection on gestational day (GD) 12, there was no increase 6 h later in embryonic ROS formation, measured by 2?,7?-dichlorodihydrofluorescin diacetate (DCFH-DA) fluorescence, despite an increase observed with the positive control ethanol (EtOH), nor was there an increase in embryonic oxidatively damaged DNA, quantified as 8-oxo-2?-deoxyguanosine (8-oxodG) formation. MeOH teratogenicity (primarily ophthalmic anomalies, cleft palate) also was not altered by pre- and post-treatment with varying doses of the free radical spin trapping agent alpha-phenyl-N-tert-butylnitrone (PBN). In contrast, pretreatment with L-buthionine-(S,R)-sulfoximine (BSO), an inhibitor of glutathione (GSH) synthesis, depleted maternal hepatic and embryonic GSH, and enhanced some new anomalies (micrognathia, agnathia, short snout, fused digits, cleft lip, low set ears), but not the most common teratogenic effects of MeOH (ophthalmic anomalies, cleft palate) in this strain. These results suggest that ROS did not contribute to the teratogenic effects of MeOH in this in vivo mouse model, in contrast to results in embryo culture from our laboratory, and that the protective effect of GSH in this model may arise from its role as a cofactor for formaldehyde dehydrogenase in the detoxification of formaldehyde. - Highlights: In vivo, a free radical scavenger did not block methanol (MeOH) teratogenesis. MeOH did not increase embryonic reactive oxygen species formation or DNA oxidation. MeOH teratogenesis was enhanced by glutathione (GSH) depletion. GSH may protect as the cofactor for formaldehyde dehydrogenase (ADH3). Formaldehyde may be a ROS-independent proximate teratogenic species in vivo.

  4. WABASH RIVER INTEGRATED METHANOL AND POWER PRODUCTION FROM CLEAN COAL TECHNOLOGIES (IMPPCCT)

    SciTech Connect (OSTI)

    Gary Harmond; Albert Tsang

    2003-03-14

    The Wabash River Integrated Methanol and Power Production from Clean Coal Technologies (IMPPCCT) project is evaluating integrated electrical power generation and methanol production through clean coal technologies. The project is conducted by a multi-industry team lead by Gasification Engineering Corporation (GEC), a company of Global Energy Inc., and supported by Air Products and Chemicals, Inc., Dow Chemical Company, Dow Corning Corporation, Methanex Corporation, and Siemens Westinghouse Power Corporation. Three project phases are planned for execution over a three year period, including: (1) Feasibility study and conceptual design for an integrated demonstration facility, and for fence-line commercial embodiment plants (CEP) operated at Dow Chemical or Dow Corning chemical plant locations (2) Research, development, and testing to define any technology gaps or critical design and integration issues (3) Engineering design and financing plan to install an integrated commercial demonstration facility at the existing Wabash River Energy Limited (WREL) plant in West Terre Haute, Indiana. The WREL facility is a project selected and co-funded under the Round IV of the U.S. Department of Energy's (DOE's) Clean Coal Technology Program. In this project, coal and/or other solid fuel feedstocks are gasified in an oxygen-blown, entrained-flow gasifier with continuous slag removal and a dry particulate removal system. The resulting product synthesis gas is used to fuel a combustion turbine generator whose exhaust is integrated with a heat recovery steam generator to drive a refurbished steam turbine generator. The gasifier uses technology initially developed by The Dow Chemical Company (the Destec Gasification Process), and now offered commercially by Global Energy, Inc., as the E-GAS{trademark} technology. In a joint effort with the DOE, a Cooperative Agreement was awarded under the Early Entrance Coproduction Plant (EECP) solicitation. GEC and an Industrial Consortium are investigating the use of synthesis gas produced by the E-GAS{trademark} technology in a coproduction environment to enhance the efficiency and productivity of solid fuel gasification combined cycle power plants. During the reporting period, various methods to remove low-level contaminants for the synthesis gas were reviewed. In addition, there was a transition of the project personnel for GEC which has slowed the production of the outstanding project reports.

  5. WABASH RIVER INTEGRATED METHANOL AND POWER PRODUCTION FROM CLEAN COAL TECHNOLOGIES (IMPPCCT)

    SciTech Connect (OSTI)

    Thomas Lynch

    2004-01-07

    The Wabash River Integrated Methanol and Power Production from Clean Coal Technologies (IMPPCCT) project is evaluating integrated electrical power generation and methanol production through clean coal technologies. The project is conducted by a multi-industry team lead previously by Gasification Engineering Corporation (GEC). The project is now under the leadership of ConocoPhillips Company (COP) after it acquired GEC and the E-Gas{trademark} gasification technology from Global Energy in July 2003. The Phase I of this project was supported by Air Products and Chemicals, Inc., Dow Chemical Company, Dow Corning Corporation, Methanex Corporation, and Siemens Westinghouse Power Corporation, while the Phase II is supported by Gas Technology Institute, TDA Research, Inc., and Nucon International, Inc. The two project phases planned for execution include: (1) Feasibility study and conceptual design for an integrated demonstration facility at Global Energy's existing Wabash River Energy Limited (WREL) plant in West Terre Haute, Indiana, and for a fence-line commercial embodiment plants (CEP) operated at Dow Chemical or Dow Corning chemical plant locations (2) Research, development, and testing (RD&T) to define any technology gaps or critical design and integration issues. The WREL facility was designed, constructed, and operated under a project selected and co-funded under the Round IV of the United States Department of Energy's (DOE's) Clean Coal Technology Program. In this project, coal and/or other solid fuel feedstocks are gasified in an oxygen-blown, entrained-flow gasifier with continuous slag removal and a dry particulate removal system. The resulting product synthesis gas is used to fuel a combustion turbine generator whose exhaust is integrated with a heat recovery steam generator to drive a refurbished steam turbine generator. The gasifier uses technology initially developed by The Dow Chemical Company (the Destec Gasification Process), and now acquired and offered commercially by COP as the E-GAS{trademark} technology. In a joint effort with the DOE, a Cooperative Agreement was awarded under the Early Entrance Coproduction Plant (EECP) solicitation. GEC, and now COP and the industrial partners are investigating the use of synthesis gas produced by the E-GAS{trademark} technology in a coproduction environment to enhance the efficiency and productivity of solid fuel gasification combined cycle power plants. The objectives of this effort are to determine the feasibility of an EECP located at a specific site which produces some combination of electric power (or heat), fuels, and/or chemicals from synthesis gas derived from coal, or, coal in combination with some other carbonaceous feedstock. The project's intended result is to provide the necessary technical, economic, and environmental information that will be needed to move the EECP forward to detailed design, construction, and operation by industry.

  6. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    SciTech Connect (OSTI)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2015-06-21

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

  7. Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: Harmonic constraints for methanol dimer

    SciTech Connect (OSTI)

    Heger, Matthias; Suhm, Martin A.; Mata, Ricardo A.

    2014-09-14

    The discrepancy between experimental and harmonically predicted shifts of the OH stretching fundamental of methanol upon hydrogen bonding to a second methanol unit is too large to be blamed mostly on diagonal and off-diagonal anharmonicity corrections. It is shown that a decisive contribution comes from post-MP2 electron correlation effects, which appear not to be captured by any of the popular density functionals. We also identify that the major deficiency is in the description of the donor OH bond. Together with estimates for the electronic and harmonically zero-point corrected dimer binding energies, this work provides essential constraints for a quantitative description of this simple hydrogen bond. The spectroscopic dissociation energy is predicted to be larger than 18 kJ/mol and the harmonic OH-stretching fundamental shifts by about ?121 cm{sup ?1} upon dimerization, somewhat more than in the anharmonic experiment (?111 cm{sup ?1})

  8. Synthesis of Pt{sub 3}Sn alloy nanoparticles and their catalysis for electro-oxidation of CO and methanol.

    SciTech Connect (OSTI)

    Liu, Y.; Li, D.; Stamenkovic, V. R.; Soled, S.; Henao, J. D.; Sun, S.

    2011-11-04

    Monodisperse Pt{sub 3}Sn alloy nanoparticles (NPs) were synthesized by a controlled coreduction of Pt(II) acetylacetonate and Sn(II) acetylacetonate at 180-280 C in 1-octadecene. In the synthesis, oleylamine was used as a reducing agent, and oleylamine/oleic acid served as surfactants. The sizes of the Pt{sub 3}Sn NPs were tuned from 4 to 7 nm by controlling the metal salt injection temperatures from 180 to 240 C. These monodisperse Pt3Sn NPs were highly active for CO and methanol oxidation in 0.1 M HClO{sub 4} solutions, and their activity and stability could be further improved by a postsynthesis thermal treatment at 400 C in Ar + 5% H{sub 2} for 1 h. They are promising as a practical catalyst for CO and methanol oxidation reactions in polymer electrolyte membrane fuel cell conditions.

  9. Liquid phase methanol LaPorte process development unit: Modification operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1991-01-28

    In April 1987, Air Products started the third and final contract with the US Department of Energy to develop the Liquid Phase Methanol (LPMEOH) process. One of the objectives was to identify alternative commercial catalyst(s) for the process. This objective was strategically important as we want to demonstrate that the LPMEOH process is flexible and not catalyst selection limited. Among three commercially available catalysts evaluated in the lab, the catalyst with a designation of F21/0E75-43 was the most promising candidate. The initial judging criteria included not only the intrinsic catalyst activity but also the ability to be used effectively in a slurry reactor. The catalyst was then advanced for a 40-day life test in a laboratory 300 cc autoclave. The life test result also revealed superior stability when compared with that of a standard catalyst. Consequently, the new catalyst was recommended for demonstration in the Process Development Unit (PDU) at LaPorte, Texas. This report details the methodology of testing and selecting the catalyst.

  10. Palladium nanoparticles anchored on graphene nanosheets: Methanol, ethanol oxidation reactions and their kinetic studies

    SciTech Connect (OSTI)

    Nagaraju, D.H.; Devaraj, S.; Balaya, P.

    2014-12-15

    Highlights: Palladium nanoparticles decorated graphene is synthesized in a single step. Electro-catalytic activity of Gra/Pd toward alcohol oxidation is evaluated. 1:1 Gra/Pd exhibits good electro-catalytic activity and efficient electron transfer. - Abstract: Palladium nanoparticles decorated graphene (Gra/Pd nanocomposite) was synthesized by simultaneous chemical reduction of graphene oxide and palladium salt in a single step. The negatively charged graphene oxide (GO) facilitates uniform distribution of Pd{sup 2+} ions onto its surface. The subsequent reduction by hydrazine hydrate provides well dispersed Pd nanoparticles decorated graphene. Different amount of Pd nanoparticles on graphene was synthesized by changing the volume to weight ratio of GO to PdCl{sub 2}. X-ray diffraction studies showed FCC lattice of Pd with predominant (1 1 1) plane. SEM and TEM studies revealed that thin graphene nanosheets are decorated by Pd nanoparticles. Raman spectroscopic studies revealed the presence of graphene nanosheets. The electro-catalytic activity of Gra/Pd nanocomposites toward methanol and ethanol oxidation in alkaline medium was evaluated by cyclic voltammetric studies. 1:1 Gra/Pd nanocomposite exhibited good electro-catalytic activity and efficient electron transfer. The kinetics of electron transfer was studied using chronoamperometry. Improved electro-catalytic activity of 1:1 Gra/Pd nanocomposite toward alcohol oxidation makes it as a potential anode for the alcohol fuel cells.

  11. Liquid phase fluid dynamic (methanol) run in the LaPorte alternative fuels development unit

    SciTech Connect (OSTI)

    Bharat L. Bhatt

    1997-05-01

    A fluid dynamic study was successfully completed in a bubble column at DOE's Alternative Fuels Development Unit (AFDU) in LaPorte, Texas. Significant fluid dynamic information was gathered at pilot scale during three weeks of Liquid Phase Methanol (LPMEOJP) operations in June 1995. In addition to the usual nuclear density and temperature measurements, unique differential pressure data were collected using Sandia's high-speed data acquisition system to gain insight on flow regime characteristics and bubble size distribution. Statistical analysis of the fluctuations in the pressure data suggests that the column was being operated in the churn turbulent regime at most of the velocities considered. Dynamic gas disengagement experiments showed a different behavior than seen in low-pressure, cold-flow work. Operation with a superficial gas velocity of 1.2 ft/sec was achieved during this run, with stable fluid dynamics and catalyst performance. Improvements included for catalyst activation in the design of the Clean Coal III LPMEOH{trademark} plant at Kingsport, Tennessee, were also confirmed. In addition, an alternate catalyst was demonstrated for LPMEOH{trademark}.

  12. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH(TM)) Process

    SciTech Connect (OSTI)

    1997-09-30

    The Liquid Phase Methanol (LPMEOH) Demonstration Project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Ak Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOITM Process Demonstration Unit was built at a site located at the Eastman complex in Kingsport. During this reporting period, DOE accepted the recommendation to continue with dimethyl ether (DME) design verification testing (DVT). DME design verification testing studies show the liquid phase DME (LPDME) process will have a significant economic advantage for the coproduction of DME for local markets. An LPDME catalyst system with reasonable long-term activity and stzibility is being developed. Planning for a proof-of-concept test run at the LaPorte Alternative Fuels Development Unit (AFDU) was recommended. DOE issued a letter dated 31 July 1997 accepting the recommendation to continue design verification testing. In order to allow for scale-up of the manufacturing technique for the dehydration catalyst from the pilot plant to the commercial scale, the time required to produce the catalyst to the AFDU has slipped. The new estimated delivery date is 01 June 1998.

  13. Liquid phase methanol LaPorte process development unit: Modification, operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1990-10-23

    The objectives of this program are to implement and test the process improvements identified through the engineering studies of the current program to demonstrate the capability of long-term catalyst activity maintenance, and to perform process and design engineering work that can be applied to a scaled-up Liquid Phase Methanol (LPMEOH) facility. An optional series of PDU runs is offered to extend the testing of the process improvements. A parallel research program will be performed to enhance the LPMEOH technical data base to improve the likelihood of commercialization of the LPMEOH process. Activities this quarter include: Flow sheet development for La Porte PDU modifications continues. A preliminary P ID review was completed and flow sheet modifications were identified and are being incorporated. A preliminary hazards review was completed on 22 May. Some minor flow sheet modifications resulted and a number of action items were identified. The most significant action item is to develop a materials reactivity and compatibility grid for the different alcohols, ethers, and esters which will be produced at the PDU. Heat and material balances were completed for the maximum production case of the mixed DME/MEOH synthesis campaign. An improved rate expression was developed. 1 fig.

  14. A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania, and zirconia

    SciTech Connect (OSTI)

    Khaliullin, Rustam Z.; Bell, Alexis T.

    2002-09-05

    Density functional theory was used to investigate the mechanism and kinetics of methanol oxidation to formaldehyde over vanadia supported on silica, titania, and zirconia. The catalytically active site was modeled as an isolated VO{sub 4} unit attached to the support. The calculated geometry and vibrational frequencies of the active site are in good agreement with experimental measurements both for model compounds and oxide-supported vanadia. Methanol adsorption is found to occur preferentially with the rupture of a V-O-M bond (M = Si, Ti, Zr) and with preferential attachment of a methoxy group to V. The vibrational frequencies of the methoxy group are in good agreement with those observed experimentally as are the calculated isobars. The formation of formaldehyde is assumed to occur via the transfer of an H atom of a methoxy group to the O atom of the V=O group. The activation energy for this process is found to be in the range of 199-214 kJ/mol and apparent activation energies for the overall oxidation of methanol to formaldehyde are predicted to lie in the range of 112-123 kJ/mol, which is significantly higher than that found experimentally. Moreover, the predicted turnover frequency (TOF) for methanol oxidation is found to be essentially independent of support composition, whereas experiments show that the TOF is 10{sup 3} greater for titania- and zirconia-supported vanadia than for silica-supported vanadia. Based on these findings, it is proposed that the formation of formaldehyde from methoxy groups may require pairs of adjacent VO{sub 4} groups or V{sub 2}O{sub 7} dimer structures.

  15. Commercial-scale demonstration of the Liquid Phase Methanol process. Technical progress report number 8, April 1--June 30, 1996

    SciTech Connect (OSTI)

    1996-12-31

    The project involves the construction of an 80,000 gallon per day (260 tons per day (TPD)) methanol unit utilizing coal-derived synthesis gas from Eastman`s integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} process is ideally suited for directly processing gases produced by modern-day coal gasifiers. Originally tested at a small (10 TPD), DOE-owned experimental unit in LaPorte, Texas, the technology provides several improvements essential for the economic coproduction of methanol and electricity directly from gasified coal. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface, protecting the catalyst and allowing the methanol synthesis reaction to proceed at higher rates. At the Eastman complex, the technology is being integrated with existing coal-gasifiers. A carefully developed test plan will allow operations at Eastman to simulate electricity demand load-following in coal-based IGCC facilities. The operations will also demonstrate the enhanced stability and heat dissipation of the conversion process, its reliable on/off operation, and its ability to produce methanol as a clean liquid fuel without additional upgrading.

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

    SciTech Connect (OSTI)

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

    2014-02-20

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

  17. FIRST COSMOLOGICAL CONSTRAINTS ON THE PROTON-TO-ELECTRON MASS RATIO FROM OBSERVATIONS OF ROTATIONAL TRANSITIONS OF METHANOL

    SciTech Connect (OSTI)

    Ellingsen, S. P.; Lovell, J. E. J.; Voronkov, M. A.; Breen, S. L.

    2012-03-15

    We have used the Australia Telescope Compact Array to measure the absorption from the 2{sub 0} {yields} 3{sub -1} E 12.2 GHz transition of methanol toward the z = 0.89 lensing galaxy in the PKS B1830-211 gravitational lens system. Comparison of the velocity of the main absorption feature with the published absorption spectrum from the 1{sub 0} {yields} 2{sub -1} E transition of methanol shows that they differ by -0.6 {+-} 1.6 km s{sup -1}. We can use these observations to constrain the changes in the proton-to-electron mass ratio {mu} from z = 0.89 to the present to 0.8 {+-} 2.1 Multiplication-Sign 10{sup -7}. This result is consistent, and of similar precision to recent observations at z = 0.68 achieved through comparison of a variety of rotational and inversion transitions, and approximately a factor of two better than previous constraints obtained in this source. Future more sensitive observations that incorporate additional rotational methanol transitions offer the prospect of improving current results by a factor of 5-10.

  18. Methanol/ethanol/gasoline blend-fuels demonstration with stratified-charge-engine vehicles: Consultant report. Final report

    SciTech Connect (OSTI)

    Pefley, R.; Adelman, H.; Suga, T.

    1980-03-01

    Four 1978 Honda CVCC vehicles have been in regular use by California Energy Commission staff in Sacramento for 12 months. Three of the unmodified vehicles were fueled with alcohol/gasoline blends (5% methanol, 10% methanol, and 10% ethanol) with the fourth remaining on gasoline as a control. The operators did not know which fuels were in the vehicles. At 90-day intervals the cars were returned to the Univerity of Santa Clara for servicing and for emissions and fuel economy testing in accordance with the Federal Test Procedures. The demonstration and testing have established the following: (1) the tested blends cause no significant degradation in exhaust emissions, fuel economy, and driveability; (2) the tested blends cause significant increases in evaporative emissions; (3) analysis of periodic oil samples shows no evidence of accelerated metal wear; and (4) higher than 10% alcohols will require substantial modification to most existing California motor vehicles for acceptable emissions, performance, and fuel economy. Many aspects of using methanol and ethanol fuels, both straight and in blends, in various engine technologies are discussed.

  19. Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the effects of H2O

    SciTech Connect (OSTI)

    Zhao, Yafan; Yang, Yong; Mims, Charles A.; Peden, Charles HF; Li, Jun; Mei, Donghai

    2011-05-31

    Methanol synthesis from CO2 hydrogenation on supported Cu catalysts is of considerable importance in the chemical and energy industries. Although extensive experimental and theoretical efforts have been carried out in the past decades, the most fundamental questions such as the reaction mechanisms and the key reaction intermediates are still in debate. In the present work, a comprehensive reaction network for CO2 hydrogenation to methanol on Cu(111) was studied using periodic density functional theory (DFT) calculations. All of the elementary reaction steps in the reaction network were identified in an unbiased way with the dimer method. Our calculation results show that methanol synthesis from direct hydrogenation of formate on Cu(111) is not feasible due to the high activation barriers for some of the elementary steps. Instead, we find that CO2 hydrogenation to hydrocarboxyl (trans-COOH) is kinetically more favorable than formate in the presence of H2O via a unique proton transfer mechanism. The trans-COOH is then converted into hydroxymethylidyne (COH) via dihydroxycarbene (COHOH) intermediates, followed by three consecutive hydrogenation steps to form hydroxymethylene (HCOH), hydroxymethyl (H2COH), and methanol. This is consistent with recent experimental observations [1], which indicate that direct hydrogenation of formate will not produce methanol under dry hydrogen conditions. Thus, both experiment and computational modeling clearly demonstrate the important role of trace amounts of water in methanol synthesis from CO2 hydrogenation on Cu catalysts. The proposed methanol synthesis route on Cu(111) not only provides new insights into methanol synthesis chemistry, but also demonstrates again that spectroscopically observed surface species are often not critical reaction intermediates but rather spectator species. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  20. Fuel Cells (Project FC-041): DOE Hydrogen Program 2011 Annual Merit Review and Peer Evaluation Report: Novel Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts

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

    422 | FY 2011 Merit Review and Peer Evaluation Report Project # FC-041: Novel Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts Huyen Dinh; National Renewable Energy Laboratory Brief Summary of Project: The overall objective of this project is to develop and demonstrate direct methanol fuel cell (DMFC) anode catalyst systems that meet or exceed the U.S. Department of Energy's (DOE) 2010 targets for consumer electronics applications. The specific goal is to improve the catalytic

  1. Commercial-Scale Demonstration of the Liquid Phase Methanol (LPMEOH) Process

    SciTech Connect (OSTI)

    1998-12-21

    he Liquid Phase Methanol (LPMEOW) Demonstration Project at Kingsport Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership) to produce methanol from coal-derived synthesis gas (syngas). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. The LPMEOEP Process Demonstration Unit was built at a site located at the Eastman coal-to-chemicals complex in Kingsport. The LPMEOHW Demonstration Facility completed its first year of operation on 02 April 1998. The LPMEOW Demonstration Facility also completed the longest continuous operating run (65 days) on 21 April 1998. Catalyst activity, as defined by the ratio of the rate constant at any point in time to the rate constant for freshly reduced catalyst (as determined in the laboratory autoclave), was monitored throughout the reporting period. During a six-week test at a reactor temperature of 225oC and Balanced Gas flowrate of 700 KSCFH, the rate of decline in catalyst activity was steady at 0.29-0.36% per day. During a second one-month test at a reactor temperature of 220oC and a Balanced Gas flowrate of 550-600 KSCFH, the rate of decline in catalyst activity was 0.4% per day, which matched the pefiorrnance at 225"C, as well as the 4-month proof-of-concept run at the LaPorte AFDU in 1988/89. Beginning on 08 May 1998, the LPMEOW Reactor temperature was increased to 235oC, which was the operating temperature tier the December 1997 restart with the fresh charge of catalyst (50'Yo of design loading). The flowrate of the primary syngas feed stream (Balanced Gas) was also increased to 700-750 KSCFH. During two stable operating periods between 08 May and 09 June 1998, the average catalyst deactivation rate was 0.8% per day. Due to the scatter of the statistical analysis of the results, this test was extended to better quanti& the catalyst aging behavior. During the reporting perio~ two batches of fresh catalyst were activated and transferred to the reactor (on 02 April and 20 June 1998). The weight of catalyst in the LPMEOW Reactor has reached 80% of the design value. At the end of the reporting period, a step-change in the pressure-drop profile within the LPMEOW Reactor and an increase in the pressure of the steam system which provides cooling to the LPMEOW Reactor were observed. No change in the calculated activity of the catalyst was detected during either of these transients. These parameters will be monitored closely for any additional changes.

  2. Liquid phase methanol LaPorte process development unit: Modification, operation, and support studies

    SciTech Connect (OSTI)

    Not Available

    1991-01-02

    Liquid-entrained operations at the LaPorte Liquid Phase Methanol (LPMEOH) Process Development Unit (PDU) continued during June and July 1988 under Tasks 2.1 and 2.2 of Contract No. DE-AC22-87PC90005 for the US Department of Energy. The primary focus of this PDU operating program was to prepare for a confident move to the next scale of operation with an optimized and simplified process. Several new design options had been identified and thoroughly evaluated in a detailed process engineering study completed under the LPMEOH Part-2 contract (DE-AC22-85PC80007), which then became the basis for the current PDU modification/operating program. The focus of the Process Engineering Design was to optimize and simplifications focused on the slurry loop, which consists of the reactor, vapor/liquid separator, slurry heat exchanger, and slurry circulation pump. Two-Phase Gas Holdup tests began at LaPorte in June 1988 with nitrogen/oil and CO- rich gas/oil systems. The purpose of these tests was to study the hydrodynamics of the reactor, detect metal carbonyl catalyst poisons, and train operating personnel. Any effect of the new gas sparger and the internal heat exchanger would be revealed by comparing the hydrodynamic data with previous PDU hydrodynamic data. The Equipment Evaluation'' Run E-5 was conducted at the LaPorte LPMEOH PDU in July 1988. The objective of Run E-5 was to systematically evaluate each new piece of equipment (sparger, internal heat exchanger, V/L disengagement zone, demister, and cyclone) which had been added to the system, and attempt to run the reactor in an internal-only mode. In addition, a successful catalyst activation with a concentrated (45 wt % oxide) slurry was sought. 9 refs., 26 figs., 15 tabs.

  3. Structure and proteinprotein interactions of methanol dehydrogenase from Methylococcus capsulatus (Bath)

    SciTech Connect (OSTI)

    Culpepper, Megen A.; Rosenzweig, Amy C.

    2014-10-07

    In the initial steps of their metabolic pathway, methanotrophic bacteria oxidize methane to methanol with methane monooxygenases (MMOs) and methanol to formaldehyde with methanol dehydrogenases (MDHs). Several lines of evidence suggest that the membrane-bound or particulate MMO (pMMO) and MDH interact to form a metabolic supercomplex. To further investigate the possible existence of such a supercomplex, native MDH from Methylococcus capsulatus (Bath) has been purified and characterized by size exclusion chromatography with multi-angle light scattering and X-ray crystallography. M. capsulatus (Bath) MDH is primarily a dimer in solution, although an oligomeric species with a molecular mass of ~450560 kDa forms at higher protein concentrations. The 2.57 resolution crystal structure reveals an overall fold and ???? dimeric architecture similar to those of other MDH structures. In addition, biolayer interferometry studies demonstrate specific proteinprotein interactions between MDH and M. capsulatus (Bath) pMMO as well as between MDH and the truncated recombinant periplasmic domains of M. capsulatus (Bath) pMMO (spmoB). These interactions exhibit KD values of 833 409 nM and 9.0 7.7 ?M, respectively. The biochemical data combined with analysis of the crystal lattice interactions observed in the MDH structure suggest a model in which MDH and pMMO associate not as a discrete, stoichiometric complex but as a larger assembly scaffolded by the intracytoplasmic membranes.

  4. Mechanistic study of methanol synthesis from CO₂ and H₂ on a modified model Mo₆S₈ cluster

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

    Liu, Cheng; Liu, Ping

    2015-01-12

    We report the methanol synthesis from CO₂ and H₂ on metal (M = K, Ti, Co, Rh, Ni, and Cu)-modified model Mo₆S₈ catalyst using density functional theory (DFT). The results show that the catalytic behavior of a Mo₆S₈ cluster is changed significantly due to the modifiers, via the electron transfer from M to Mo₆S₈ and therefore the reduction of the Mo cation (ligand effect) and the direct participation of M in the reaction (ensemble effect) to promote some elementary steps. With the most positively charged modifier, the ligand effect in the case of K-Mo₆S₈ is the most obvious among themore » systems studied; however it cannot compete with the ensemble effect, which plays a dominate role in determining activity via the electrostatic attraction in particular to stabilize the CHxOy species adsorbed at the Mo sites of Mo₆S₈. In comparison, the ligand effect is weaker and the ensemble effect is more important when the other modifiers are used. In addition, the modifiers also vary the optimal reaction pathway for methanol synthesis on Mo₆S₈, ranging from the reverse water-gas shift (RWGS) + CO hydrogenation as that of Mo₆S₈ to the formate pathway. Finally, K is able to accelerate the methanol synthesis on Mo₆S₈ the most; while the promotion by Rh is relatively small. Using the modifiers like Ti, Co, Ni, and Cu, the activity of Mo₆S₈ is decreased instead. The relative stability between *HCOO and *HOCO is identified as a descriptor to capture the variation in mechanism and scales well with the estimated activity. Our study not only provides better understanding of the reaction mechanism and actives on the modified Mo₆S₈, but also predicts some possible candidates, which can be used a promoter to facilitate the CH₃OH synthesis on Mo sulfides.« less

  5. Disorganization of cell division of methicillin-resistant Staphylococcus aureus by methanolic extract from Phyllanthus columnaris stem bark

    SciTech Connect (OSTI)

    Adnalizawati, A. Siti Noor; Nazlina, I.; Yaacob, W. A.

    2013-11-27

    The in vitro activity of methanolic extract from Phyllanthus columnaris stem bark was studied against Methicillin-resistant Staphylococcus aureus (MRSA) ATCC 43300 and MRSA BM1 (clinical strain) using time-kill curves in conjunction with scanning and transmission electron microscopy. The extract showed more markedly bactericidal activity in MRSA BM1 clinical strain within less than 4 h by 6.25-12.5 mg/mL and within 6 h by 1.56 mg/mL. Scanning electron microscopy of MRSA BM1 revealed distortion of cell whilst transmission electron microscopy revealed disruption in cell wall division.

  6. Theoretical study of syngas hydrogenation to methanol on the polar Zn-terminated ZnO(0001) surface

    SciTech Connect (OSTI)

    Zhao, Ya-Fan; Rousseau, Roger J.; Li, Jun; Mei, Donghai

    2012-08-02

    Methanol synthesis from syngas (CO/CO2/H2) hydrogenation on the perfect Znterminated polar ZnO(0001) surface have been investigated using periodic density functional theory calculations. Our results show that direct CO2 hydrogenation to methanol on the perfect ZnO(0001) surface is unlikely because in the presence of surface atomic H and O the highly stable formate (HCOO) and carbonate (CO3) readily produced from CO2 with low barriers 0.11 and 0.09 eV will eventually accumulate and block the active sites of the ZnO(0001) surface. In contrast, methanol synthesis from CO hydrogenation is thermodynamically and kinetically feasible on the perfect ZnO(0001) surface. CO can be consecutively hydrogenated into formyl (HCO), formaldehyde (H2CO), methoxy (H3CO) intermediates, leading to the final formation of methanol (H3COH). The reaction route via hydroxymethyl (H2COH) intermediate, a previously proposed species on the defected Oterminated ZnO( ) surface, is kinetically inhibited on the perfect ZnO(0001) surface. The rate-determining step in the consecutive CO hydrogenation route is the hydrogenation of H3CO to H3COH. We also note that this last hydrogenation step is pronouncedly facilitated in the presence of water by lowering the activation barrier from 1.02 to 0.55 eV. This work was supported by the U.S. Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences, and performed at EMSL, a national scientific user facility sponsored by the Department of Energys Office of Biological and Environmental Research located at Pacific Northwest National Laboratory (PNNL). Computational resources were provided at EMSL and the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory. J. Li and Y.-F. Zhao were also financially supported by the National Natural Science Foundation of China (Nos. 20933003 and 91026003) and the National Basic Research Program of China (No. 2011CB932400). Y.-F. Zhao acknowledges the fellowship from PNNL.

  7. Tungsten carbide/porous carbon composite as superior support for platinum catalyst toward methanol electro-oxidation

    SciTech Connect (OSTI)

    Jiang, Liming; Fu, Honggang; Wang, Lei; Mu, Guang; Jiang, Baojiang; Zhou, Wei; Wang, Ruihong

    2014-01-01

    Graphical abstract: The WC nanoparticles are well dispersed in the carbon matrix. The size of WC nanoparticles is about 30 nm. It can be concluded that tungsten carbide and carbon composite was successfully prepared by the present synthesis conditions. - Highlights: The WC/PC composite with high specific surface area was prepared by a simple way. The Pt/WC/PC catalyst has superior performance toward methanol electro-oxidation. The current density for methanol electro-oxidation is as high as 595.93 A g{sup ?1} Pt. The Pt/WC/PC catalyst shows better durability and stronger CO electro-oxidation. The performance of Pt/WC/PC is superior to the commercial Pt/C (JM) catalyst. - Abstract: Tungsten carbide/porous carbon (WC/PC) composites have been successfully synthesized through a surfactant assisted evaporation-induced-assembly method, followed by a thermal treatment process. In particular, WC/PC-35-1000 composite with tungsten content of 35% synthesized at the carbonized temperature of 1000 C, exhibited a specific surface area (S{sub BET}) of 457.92 m{sup 2} g{sup ?1}. After loading Pt nanoparticles (NPs), the obtained Pt/WC/PC-35-1000 catalyst exhibits the highest unit mass electroactivity (595.93 A g{sup ?1} Pt) toward methanol electro-oxidation, which is about 2.6 times as that of the commercial Pt/C (JM) catalyst. Furthermore, the Pt/WC/PC-35-1000 catalyst displays much stronger resistance to CO poisoning and better durability toward methanol electrooxidation compared with the commercial Pt/C (JM) catalyst. The high electrocatalytic activity, strong poison-resistivity and good stability of Pt/WC/PC-35-1000 catalyst are attributed to the porous structures and high specific surface area of WC/PC support could facilitate the rapid mass transportation. Moreover, synergistic effect between WC and Pt NPs is favorable to the higher catalytic performance.

  8. Alkali or alkaline earth metal promoted catalyst and a process for methanol synthesis using alkali or alkaline earth metals as promoters

    DOE Patents [OSTI]

    Tierney, John W. (Pittsburgh, PA); Wender, Irving (Pittsburgh, PA); Palekar, Vishwesh M. (Pittsburgh, PA)

    1995-01-01

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a heterogeneous catalyst comprising reduced copper chromite impregnated with an alkali or alkaline earth metal. There is thus no need to add a separate alkali or alkaline earth compound. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  9. Molecular modeling of the morphology and transport properties of two direct methanol fuel cell membranes: phenylated sulfonated poly(ether ether ketone ketone) versus Nafion

    SciTech Connect (OSTI)

    Devanathan, Ramaswami; Idupulapati, Nagesh B.; Dupuis, Michel

    2012-08-14

    We have used molecular dynamics simulations to examine membrane morphology and the transport of water, methanol and hydronium in phenylated sulfonated poly ether ether ketone ketone (Ph-SPEEKK) and Nafion membranes at 360 K for a range of hydration levels. At comparable hydration levels, the pore diameter is smaller, the sulfonate groups are more closely packed, the hydronium ions are more strongly bound to sulfonate groups, and the diffusion of water and hydronium is slower in Ph-SPEEKK relative to the corresponding properties in Nafion. The aromatic carbon backbone of Ph-SPEEKK is less hydrophobic than the fluorocarbon backbone of Nafion. Water network percolation occurs at a hydration level ({lambda}) of {approx}8 H{sub 2}O/SO{sub 3}{sup -}. At {lambda} = 20, water, methanol and hydronium diffusion coefficients were 1.4 x 10{sup -5}, 0.6 x 10{sup -5} and 0.2 x 10{sup -5} cm{sup 2}/s, respectively. The pore network in Ph-SPEEKK evolves dynamically and develops wide pores for {lambda} > 20, which leads to a jump in methanol crossover and ion transport. This study demonstrates the potential of aromatic membranes as low-cost challengers to Nafion for direct methanol fuel cell applications and the need to develop innovative strategies to combat methanol crossover at high hydration levels.

  10. Alkali or alkaline earth metal promoted catalyst and a process for methanol synthesis using alkali or alkaline earth metals as promoters

    DOE Patents [OSTI]

    Tierney, J.W.; Wender, I.; Palekar, V.M.

    1995-01-31

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a heterogeneous catalyst comprising reduced copper chromite impregnated with an alkali or alkaline earth metal. There is thus no need to add a separate alkali or alkaline earth compound. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100--160 C and the pressure range of 40--65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H[sub 2]/CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  11. Commercial-scale demonstration of the liquid phase methanol (LPMEOH{trademark}) process. Technical progress report No. 3, October 1, 1994--March 31, 1995

    SciTech Connect (OSTI)

    1995-12-31

    The Liquid Phase Methanol (LPMEOH{trademark}) demonstration project at Kingsport, Tennessee is a $213.7 million cooperative agreement between the US Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). A facility producing 260 TPD of methanol will be designed and constructed at a site located at the Eastman Chemical complex in Kingsport, Tennessee. The Partnership will own and operate the facility for the four-year demonstration facility operational period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to ``demonstrate the production of methanol using the LPMEOH{trademark} process in conjunction with an integrated coal gasification facility.`` The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low sulfur dioxide, low nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research shows promising results. If implemented, the DME would be produced during the last six months of the operations phase. During the period 1 October 1994 to 31 March 1995, the project team completed essentially all the activities necessary to start detailed design. Major accomplishments in these activities are discussed.

  12. Adsorption and Deactivation Characteristics of Cu/ZnO-Based Catalysts for Methanol Synthesis from Carbon Dioxide

    SciTech Connect (OSTI)

    Natesakhawat, Sittichai; Ohodnicki, Paul R., Jr.; Howard, Bret H.; Lekse, Jonathan W.; Baltrus, John P.; Matranga, Christopher

    2013-12-01

    The adsorption and deactivation characteristics of coprecipitated Cu/ZnO-based catalysts were examined and correlated to their performance in methanol synthesis from CO{sub 2} hydrogenation. The addition of Ga{sub 2}O{sub 3} and Y{sub 2}O{sub 3} promoters is shown to increase the Cu surface area and CO{sub 2}/H{sub 2} adsorption capacities of the catalysts and enhance methanol synthesis activity. Infrared studies showed that CO{sub 2} adsorbs spontaneously on these catalysts at room temperature as both monoand bi-dentate carbonate species. These weakly bound species desorb completely from the catalyst surface by 200 C while other carbonate species persist up to 500 C. Characterization using N{sub 2}O decomposition, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM) with energy-dispersive X-ray spectroscopy (EDX) analysis clearly indicated that Cu sintering is the main cause of catalyst deactivation. Ga and Y promotion improves the catalyst stability by suppressing the agglomeration of Cu and ZnO particles under pretreatment and reaction conditions.

  13. FORMALDEHYDE AND METHANOL DEUTERATION IN PROTOSTARS: FOSSILS FROM A PAST FAST HIGH-DENSITY PRE-COLLAPSE PHASE

    SciTech Connect (OSTI)

    Taquet, V.; Ceccarelli, C.; Kahane, C.

    2012-03-20

    Extremely high deuteration of several molecules has been observed around low-mass protostars for a decade. Among them, formaldehyde and methanol present particularly high deuteration, with observations of abundant doubly and triply deuterated forms. Both species are thought to be mainly formed on interstellar grains during the low-temperature and dense pre-collapse phase by H and D atom additions on the iced CO. We present here a theoretical study of the formaldehyde and methanol deuteration obtained with our gas-grain model, GRAINOBLE. This model takes into account the multilayer nature of the mantle and explores the robustness of the results against the uncertainties of poorly constrained chemical and surface model parameters. The comparison of the model predictions with the observations leads to two major results: (1) the observed high deuteration is obtained during the last phase of the pre-collapse stage, when the density reaches {approx}5 Multiplication-Sign 10{sup 6} cm{sup -3}, and this phase is fast, lasting only several thousands years; and (2) D and H abstraction and substitution reactions are crucial in making up the observed deuteration ratios. This work shows the power of chemical composition as a tool to reconstruct the past history of protostars.

  14. Electrochemically synthesized ordered TiO2 and platinum nanocomposite electrode: preparation, characterization, and application to photoelectrocatalytic methanol oxidation

    SciTech Connect (OSTI)

    Li, Zhizhou; Cui, Xiaoli; Lin, Yuehe

    2009-04-01

    In this work, the nanocomposite electrodes consisting of Pt and TiO2 nanotubular arrays have been synthesized, and the morphologies, structural, and photo-electrochemical properties of the electrodes are characterized by SEM, XRD, and electrochemical methods. Highly ordered TiO2 nanotubular arrays can be obtained through anodization of titanium. The platinum nanoparticles are electrodeposited into TiO2 nanotubes by a chronopotentiometry method. Cyclic voltammetry and XRD measurements can confirm the presence of platinum in this nanocomposite electrode. The nanostructural electrode greatly improved performances for methanol oxidation under UV-Vis illumination compared to that without illumination. An enhancement of 58% in the current density has been observed upon illumination with UV-Vis light irradiance at an intensity of 50 mW/cm2. The improved performance of the TiO2/Pt nanocomposite electrode results from a enhanced methanol oxidation by photo-generated holes in the TiO2 nanoarrays under illumination and a synergistic effectiveness between TiO2 and Pt nanoparticles.

  15. Long-term methanol vehicle test program. Final subcontract report, 1 November 1992--1 February 1995

    SciTech Connect (OSTI)

    Jones, J.C.; Maxwell, T.T.

    1995-09-01

    Work was sperformed to determine effects of methanol fuel on engine performance and exhaust emissions during long-term use in a 1988 Chevrolet Corsica. Engine wear, gasket performance, fuel economy, emissions level, oil consumption, and overall vehicle performance were monitored over 22,000 miles. Baselines were established at the beginning for comparison: engine was disassembled, bearing/ring clearances and cam profiles were measured. Higher flow rate fuel injectors from AC Rochester were installed and the computer system calibrated for M100 fuel. The vehicle durability test increased oil consumption by 26% under cold-start conditions, 9% under hot start. Oil consumption under hot start was higher than under cold start by as much as 56%; effect of component temperatures on oil viscosity appears to be the cause. It is recommended that oil consumption of a gasoline-fueled vehicle be measured in order to normalize the effect of methanol operation on oil consumption, and to study the effect of steady-state and transient conditions on oil consumption.

  16. Effect of Oxygen Defects on the Catalytic Performance of VOx/CeO2 Catalysts for Oxidative Dehydrogenation of Methanol

    SciTech Connect (OSTI)

    Li, Yan; Wei, Zhehao; Gao, Feng; Kovarik, Libor; Baylon, Rebecca A.; Peden, Charles HF; Wang, Yong

    2015-05-01

    In this work, CeO2 nanocubes with controlled particle size and dominating (100) facets are synthesized as supports for VOx catalysts. Combined TEM, SEM, XRD, and Raman study reveals that the oxygen vacancy density of CeO2 supports can be tuned by tailoring the particle sizes without altering the dominating facets, where smaller particle sizes result in larger oxygen vacancy densities. At the same vanadium coverage, the VOx catalysts supported on small-sized CeO2 supports with higher oxygen defect densities exhibit promoted redox property and lower activation energy for methoxyl group decomposition, as evidenced by H2-TPR and methanol TPD study. These results further confirm that the presence of oxygen vacancies plays an important role in promoting the activity of VOx species in methanol oxidation. We gratefully acknowledge financial support from the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Part of this work was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for the DOE by Battelle.

  17. Hydrogen and methoxy coadsorption in the computation of the catalytic conversion of methanol on the ceria (111) surface

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

    Beste, Ariana; Steven H. Overbury

    2015-12-23

    Methanol decomposition to formaldehyde catalyzed by the ceria (111) surface has been investigated using the DFT + U method. Our results rationalize experimental temperature programmed desorption experiments on the fully oxidized surface. Particular attention has been paid to the model correctness of methoxy with coadsorbed hydrogen on the surface. This issue has been raised by the experimental observation of water desorption at low temperature removing hydrogen from the system. Our investigation also includes hydrogen diffusion as a means of hydrogen removal. We find that the presence of methoxy reduces the reaction energy for water formation considerably. In addition, the preferencemore » of the electron to locate at the methoxy oxygen results in a dehydrated surface that does not contain Ce3+ ions, despite the existence of a vacancy.« less

  18. Methanol Synthesis over Cu/ZnO/Al2O3: The Active Site in Industrial Catalysis

    SciTech Connect (OSTI)

    Behrens, Malte

    2012-03-28

    Unlike homogeneous catalysts, heterogeneous catalysts that have been optimized through decades are typically so complex and hard to characterize that the nature of the catalytically active site is not known. This is one of the main stumbling blocks in developing rational catalyst design strategies in heterogeneous catalysis. We show here how to identify the crucial atomic structure motif for the industrial Cu/ZnO/Al{sub 2}O{sub 3} methanol synthesis catalyst. Using a combination of experimental evidence from bulk-, surface-sensitive and imaging methods collected on real high-performance catalytic systems in combination with DFT calculations. We show that the active site consists of Cu steps peppered with Zn atoms, all stabilized by a series of well defined bulk defects and surface species that need jointly to be present for the system to work.

  19. Hydrogen and methoxy coadsorption in the computation of the catalytic conversion of methanol on the ceria (111) surface

    SciTech Connect (OSTI)

    Beste, Ariana; Steven H. Overbury

    2015-12-23

    Methanol decomposition to formaldehyde catalyzed by the ceria (111) surface has been investigated using the DFT + U method. Our results rationalize experimental temperature programmed desorption experiments on the fully oxidized surface. Particular attention has been paid to the model correctness of methoxy with coadsorbed hydrogen on the surface. This issue has been raised by the experimental observation of water desorption at low temperature removing hydrogen from the system. Our investigation also includes hydrogen diffusion as a means of hydrogen removal. We find that the presence of methoxy reduces the reaction energy for water formation considerably. In addition, the preference of the electron to locate at the methoxy oxygen results in a dehydrated surface that does not contain Ce3+ ions, despite the existence of a vacancy.

  20. Comparison of unburned fuel and aldehyde emissions from a methanol-fueled stratified charge and homogeneous charge engine

    SciTech Connect (OSTI)

    Scull, N.; Kim, C.; Foster, D.E.

    1986-01-01

    This paper presents the results of an experimental program in which a Texaco L-163S engine was fueled with methanol and operated in its traditional stratified charge mode and then modified to run as a homogenous charge spark ignited engine. The primary data taken were the aldehyde and unburned fuel emissions (UBF). These data were taken using a continuous time-averaging sampling probe at the exhaust tank and at the exhaust port and with a rotary time-resolving sampling valve located at the exhaust port. The data indicate that for both the stratified charge and the homogeneous charge modes of operation formaldehyde was the only aldehyde detected in the exhaust and it primarily originated in the cylinder.

  1. Low pressure CO₂ hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiO₂ interface

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

    Yang, Xiaofang; Boscoboinik, J. Anibal; Kattel, Shyam; Senanayake, Sanjaya D.; Nie, Xiaowa; Graciani, Jesus; Rodriguez, Jose A.; Liu, Ping; Stacchiola, Dario J.; Chen, Jingguang G.

    2015-07-28

    Capture and recycling of CO₂ into valuable chemicals such as alcohols could help mitigate its emissions into the atmosphere. Due to its inert nature, the activation of CO₂ is a critical step in improving the overall reaction kinetics during its chemical conversion. Although pure gold is an inert noble metal and cannot catalyze hydrogenation reactions, it can be activated when deposited as nanoparticles on the appropriate oxide support. In this combined experimental and theoretical study, it is shown that an electronic polarization at the metal–oxide interface of Au nanoparticles anchored and stabilized on a CeOx/TiO₂ substrate generates active centers formore » CO₂ adsorption and its low pressure hydrogenation, leading to a higher selectivity toward methanol. In conclusion, this study illustrates the importance of localized electronic properties and structure in catalysis for achieving higher alcohol selectivity from CO₂ hydrogenation.« less

  2. Utilization of coal mine methane for methanol and SCP production. Topical report, May 5, 1995--March 4, 1996

    SciTech Connect (OSTI)

    1998-12-31

    The feasibility of utilizing a biological process to reduce methane emissions from coal mines and to produce valuable single cell protein (SCP) and/or methanol as a product has been demonstrated. The quantities of coal mine methane from vent gas, gob wells, premining wells and abandoned mines have been determined in order to define the potential for utilizing mine gases as a resource. It is estimated that 300 MMCFD of methane is produced in the United States at a typical concentration of 0.2-0.6 percent in ventilation air. Of this total, almost 20 percent is produced from the four Jim Walter Resources (JWR) mines, which are located in very gassy coal seams. Worldwide vent gas production is estimated at 1 BCFD. Gob gas methane production in the U.S. is estimated to be 38 MMCFD. Very little gob gas is produced outside the U.S. In addition, it is estimated that abandoned mines may generate as much as 90 MMCFD of methane. In order to make a significant impact on coal mine methane emissions, technology which is able to utilize dilute vent gases as a resource must be developed. Purification of the methane from the vent gases would be very expensive and impractical. Therefore, the process application must be able to use a dilute methane stream. Biological conversion of this dilute methane (as well as the more concentrated gob gases) to produce single cell protein (SCP) and/or methanol has been demonstrated in the Bioengineering Resources, Inc. (BRI) laboratories. SCP is used as an animal feed supplement, which commands a high price, about $0.11 per pound.

  3. An Analysis of Methanol and Hydrogen Production via High-Temperature Electrolysis Using the Sodium Cooled Advanced Fast Reactor

    SciTech Connect (OSTI)

    Shannon M. Bragg-Sitton; Richard D. Boardman; Robert S. Cherry; Wesley R. Deason; Michael G. McKellar

    2014-03-01

    Integration of an advanced, sodium-cooled fast spectrum reactor into nuclear hybrid energy system (NHES) architectures is the focus of the present study. A techno-economic evaluation of several conceptual system designs was performed for the integration of a sodium-cooled Advanced Fast Reactor (AFR) with the electric grid in conjunction with wind-generated electricity. Cases in which excess thermal and electrical energy would be reapportioned within an integrated energy system to a chemical plant are presented. The process applications evaluated include hydrogen production via high temperature steam electrolysis and methanol production via steam methane reforming to produce carbon monoxide and hydrogen which feed a methanol synthesis reactor. Three power cycles were considered for integration with the AFR, including subcritical and supercritical Rankine cycles and a modified supercritical carbon dioxide modified Brayton cycle. The thermal efficiencies of all of the modeled power conversions units were greater than 40%. A thermal efficiency of 42% was adopted in economic studies because two of the cycles either performed at that level or could potentially do so (subcritical Rankine and S-CO2 Brayton). Each of the evaluated hybrid architectures would be technically feasible but would demonstrate a different internal rate of return (IRR) as a function of multiple parameters; all evaluated configurations showed a positive IRR. As expected, integration of an AFR with a chemical plant increases the IRR when “must-take” wind-generated electricity is added to the energy system. Additional dynamic system analyses are recommended to draw detailed conclusions on the feasibility and economic benefits associated with AFR-hybrid energy system operation.

  4. Techno-economic Analysis for the Conversion of Lignocellulosic Biomass to Gasoline via the Methanol-to-Gasoline (MTG) Process

    SciTech Connect (OSTI)

    Jones, Susanne B.; Zhu, Yunhua

    2009-05-01

    Biomass is a renewable energy resource that can be converted into liquid fuel suitable for transportation applications. As a widely available biomass form, lignocellulosic biomass can have a major impact on domestic transportation fuel supplies and thus help meet the Energy Independence and Security Act renewable energy goals (U.S. Congress 2007). With gasification technology, biomass can be converted to gasoline via methanol synthesis and methanol-to-gasoline (MTG) technologies. Producing a gasoline product that is infrastructure ready has much potential. Although the MTG technology has been commercially demonstrated with natural gas conversion, combining MTG with biomass gasification has not been shown. Therefore, a techno-economic evaluation for a biomass MTG process based on currently available technology was developed to provide information about benefits and risks of this technology. The economic assumptions used in this report are consistent with previous U.S. Department of Energy Office of Biomass Programs techno-economic assessments. The feedstock is assumed to be wood chips at 2000 metric ton/day (dry basis). Two kinds of gasification technologies were evaluated: an indirectly-heated gasifier and a directly-heated oxygen-blown gasifier. The gasoline selling prices (2008 USD) excluding taxes were estimated to be $3.20/gallon and $3.68/gallon for indirectly-heated gasified and directly-heated. This suggests that a process based on existing technology is economic only when crude prices are above $100/bbl. However, improvements in syngas cleanup combined with consolidated gasoline synthesis can potentially reduce the capital cost. In addition, improved synthesis catalysts and reactor design may allow increased yield.

  5. Copper- and silver-zirconia aerogels: Preparation, structural properties and catalytic behavior in methanol synthesis from carbon dioxide

    SciTech Connect (OSTI)

    Koeppel, R.A.; Stoecker, C.; Baiker, A. [Swiss Federal Inst. of Technology, Zuerich (Switzerland). Lab. of Technical Chemistry] [Swiss Federal Inst. of Technology, Zuerich (Switzerland). Lab. of Technical Chemistry

    1998-10-25

    Copper- and silver-zirconia aerogels containing 10 at% IB metal were prepared from tetra-n-butoxy zirconium(IV) and IB metal acetates using the solution sol-gel method and ensuring high-temperature (HT) and low-temperature (LT) supercritical drying, respectively. The influence of preparation parameters and calcination on the structural and catalytic properties of the aerogels for the synthesis of methanol from carbon dioxide and hydrogen was investigated. After calcination in air at 573 K, the catalysts had BET surface areas in the range of 100--143 m{sup 2}/g (Cu/ZrO{sub 2}) and 77--125 m{sup 2}/g (Ag/ZrO{sub 2}), respectively. Due to the reductive alcoholic atmosphere during high-temperature supercritical drying, metallic copper and silver existed in all raw HT-aerogels. The mean size of the copper crystallites wa/s 30 nm. The silver crystallite size for the HT-aerogel prepared with nitric acid was 10 nm, whereas for samples prepared with acetic acid it was 5--7 nm. Calcination in air at 573 K led to the formation of highly dispersed amorphous copper oxide and silver. Comparing the catalytic behavior of the calcined copper-zirconia aerogels with corresponding xerogels prepared by coprecipitation revealed highest activity for the LT-aerogel, whereas the HT-aerogels were least active. In contrast, similar catalytic behavior was observed for the differently dried silver-zirconia samples. Generally, CO{sub 2}-conversion of the copper-zirconia samples. Generally, CO{sub 2}-conversion of the copper-zirconia aerogels was markedly higher than that of the corresponding silver-zirconia aerogels, whereas methanol selectivity was similar.

  6. Gasoline from coal in the state of Illinois: feasibility study. Volume I. Design. [KBW gasification process, ICI low-pressure methanol process and Mobil M-gasoline process

    SciTech Connect (OSTI)

    Not Available

    1980-01-01

    Volume 1 describes the proposed plant: KBW gasification process, ICI low-pressure methanol process and Mobil M-gasoline process, and also with ancillary processes, such as oxygen plant, shift process, RECTISOL purification process, sulfur recovery equipment and pollution control equipment. Numerous engineering diagrams are included. (LTN)

  7. Incorporation effect of nanosized perovskite LaFe?.?Co?.?O? on the electrochemical activity of Pt nanoparticles-multi walled carbon nanotube composite toward methanol oxidation

    SciTech Connect (OSTI)

    Noroozifar, Meissam; Khorasani-Motlagh, Mozhgan; Khaleghian-Moghadam, Roghayeh; Ekrami-Kakhki, Mehri-Saddat; Shahraki, Mohammad

    2013-05-01

    Nanosized perovskite LaFe?.?Co?.?O? (LFCO) is synthesized through conventional co-precipitation method and characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) techniques. The incorporation effect of the mentioned perovskite to catalytic activity of the PtNPs-MWCNTs-nafion (or -chitosan) catalyst toward methanol oxidation has been studied by cyclic voltammetry. Based on the electrochemical studies, all MWCNTs-PtNPs-nafion (or chitosan) and MWCNTs-PtNPs-LFCO-nafion (or chitosan) catalysts show a considerable activity for methanol oxidation. However, a synergistic effect is observed when LFCO is added to the catalyst by decreasing the poisoning rate of the Pt catalyst. - Graphical abstract: Nanosized perovskite LaFe?.?Co?.?O? is synthesized and characterized. The incorporation effect of the mentioned perovskite to catalytic activity of the PtNPS-MWCNTs-nafion (or -chitosan) catalyst toward methanol oxidation is studied. Highlights: Nanocrystalline LaFe?.?Co?.?O? (LFCO) is prepared by a new simple co-precipitation method. Effect of LFCO to catalytic activity of PtNPS for methanol oxidation is studied. A synergistic effect is observed when LFCO is added to the Pt catalyst. Oxygen of LFCO could be considered as active oxygen to remove CO intermediates.

  8. Process Design and Economics for the Conversion of Lignocellulosic Biomass to High Octane Gasoline: Thermochemical Research Pathway with Indirect Gasification and Methanol Intermediate

    SciTech Connect (OSTI)

    Tan, Eric; Talmadge, M.; Dutta, Abhijit; Hensley, Jesse; Schaidle, Josh; Biddy, Mary J.; Humbird, David; Snowden-Swan, Lesley J.; Ross, Jeff; Sexton, Danielle; Yap, Raymond; Lukas, John

    2015-03-01

    The U.S. Department of Energy (DOE) promotes research for enabling cost-competitive liquid fuels production from lignocellulosic biomass feedstocks. The research is geared to advance the state of technology (SOT) of biomass feedstock supply and logistics, conversion, and overall system sustainability. As part of their involvement in this program, the National Renewable Energy Laboratory (NREL) and the Pacific Northwest National Laboratory (PNNL) investigate the economics of conversion pathways through the development of conceptual biorefinery process models. This report describes in detail one potential conversion process for the production of high octane gasoline blendstock via indirect liquefaction (IDL). The steps involve the conversion of biomass to syngas via indirect gasification followed by gas cleanup and catalytic syngas conversion to a methanol intermediate; methanol is then further catalytically converted to high octane hydrocarbons. The conversion process model leverages technologies previously advanced by research funded by the Bioenergy Technologies Office (BETO) and demonstrated in 2012 with the production of mixed alcohols from biomass. Biomass-derived syngas cleanup via tar and hydrocarbons reforming was one of the key technology advancements as part of that research. The process described in this report evaluates a new technology area with downstream utilization of clean biomass-syngas for the production of high octane hydrocarbon products through a methanol intermediate, i.e., dehydration of methanol to dimethyl ether (DME) which subsequently undergoes homologation to high octane hydrocarbon products.

  9. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Environmental monitoring report No. 1, 1 April 1997--31 June 1997

    SciTech Connect (OSTI)

    1998-02-13

    The Liquid Phase Methanol (LPMEOH{trademark}) demonstration project at Kingsport, Tennessee, is a $213.7 million cooperative agreement between the U.S. Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L.P. (the Partnership). Air Products and Chemicals, Inc. (Air Products) and Eastman Chemical Company (Eastman) formed the Partnership to execute the Demonstration Project. A demonstration unit producing 80,000 gallons per day (260 TPD) of methanol was designed, constructed, and has begun operation at a site located at the Eastman complex in Kingsport. The Partnership will own and operate the facility for the four-year demonstration period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to {open_quotes}demonstrate the production of methanol using the LPMEOH{trademark} Processing conjunction with an integrated coal gasification facility.{close_quotes} The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low-sulfur dioxide, low-nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research and market verification studies show promising results. If implemented, the DME would be produced during the last six months of the four-year demonstration period. The LPMEOH{trademark} process is the product of a cooperative development effort by Air Products and the DOE in a program that started in 1981. It was successfully piloted at a 10-TPD rate in the DOE-owned experimental unit at Air Products` LaPorte, Texas, site. This demonstration project is the culmination of that extensive cooperative development effort.

  10. Commercial-scale demonstration of the liquid phase methanol (LPMEOH{trademark}) process. Technical progress report No. 4, 1 April--30 June 1995

    SciTech Connect (OSTI)

    1995-12-31

    The Liquid Phase Methanol (LPMEOH{trademark}) demonstration project at Kingsport, Tennessee is a $213.7 million cooperative agreement between the US Department of Energy (DOE) and Air Products Liquid Phase Conversion Company, L. P.(the Partnership). A facility producing 260 TPD of methanol will be designed and constructed at a site located at the Eastman Chemical complex in Kingsport, Tennessee. The Partnership will own and operate the facility for the four-year demonstration facility operational period. This project is sponsored under the DOE`s Clean Coal Technology Program, and its primary objective is to ``demonstrate the production of methanol using the LPMEOH{trademark} process in conjunction with an integrated coal gasification facility.`` The project will also demonstrate the suitability of the methanol produced for use as a chemical feedstock or as a low sulfur dioxide, low nitrogen oxides alternative fuel in stationary and transportation applications. The project may also demonstrate the production of dimethyl ether (DME) as a mixed coproduct with methanol, if laboratory- and pilot-scale research shows promising results. If implemented, the DME would be produced during the last six months of the operations phase. During this last quarter the project transitioned to the design phase. the project requires review under the National environmental Policy Act to move to the construction phase, which is scheduled to begin in August of 1995. DOE has prepared an Environmental Assessment, and a Finding of No Significant Impact was issued during this quarter. The facility is scheduled to be mechanically complete in November of 1996.

  11. DC Students Flex Their Mental Muscles in Regional Science Bowl...

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

    The Department created the National Science Bowl in 1991 to encourage students to excel in mathematics and science and to pursue careers in these fields. Approximately 240,000 ...

  12. Energy Department Women Flex STEM Muscle for Nation's Youth

    Broader source: Energy.gov [DOE]

    Eighty 4th through 8th grade students and educators were special guests at the White House to kick off the administration’s “Week at the National Labs” event from Feb. 29-March 5. Among special invitees were three women from the Office of Energy Efficiency and Renewable Energy (EERE), who led hands-on activities and mentored the youth during the “Day at the Lab” event. The EERE team wowed the students with technology displays and showcased the Energy Department’s growing pipeline of women in STEM.

  13. Flex Fuel Optimized SI and HCCI Engine | Department of Energy

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

    2 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon ace021_zhu_2012

  14. Flex Fuel Optimized SI and HCCI Engine | Department of Energy

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

    1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon ace021_zhu_2011

  15. Flex Fuel Optimized SI and HCCI Engine | Department of Energy

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

    0 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. PDF icon ace021_zhu_2010

  16. Advancing Plug In Hybrid Technology and Flex Fuel Application...

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

    Mini-Van PHEV DOE Funded Project Advancing Transportation Through Vehicle Electrification - PHEV Plug-in Hybrid (PHEV) Vehicle Technology Advancement and Demonstration Activity...

  17. Steady state and dynamic modeling of a packed bed reactor for the partial oxidation of methanol to formaldehyde: experimental results compared with model predictions

    SciTech Connect (OSTI)

    Schwedock, M.J.; Windes, L.C.; Ray, W.H.

    1985-01-01

    Heterogeneous and pseudohomogeneous models are compared to experimental data from a packed bed reactor for the partical oxidation of methanol to formaldehyde over an iron oxide-molybdenum oxide catalyst. Heat transfer parameters which were successful in matching data from experiments without reaction were not successful in matching temperature data from experiments with reaction. This made it necessary to decrease the fluid radial heat transfer to obtain good fit. A good fit was obtained for steady state composition profiles by optimizing selected frequency factors and the activation energy for methanol. A redox rate expression for the oxidation of formaldehyde to carbon monoxide was proposed since a simple first-order rate expression did not fit the data. The pseudohomogeneous model gave results similar to the heterogeneous model for both steady state and dynamic experiments and has been recommended for future experimental state estimation and control studies. 21 refs., 31 figs., 6 tabs.

  18. Electron-stimulated reactions in layered CO/H2O films: Hydrogen atom diffusion and the sequential hydrogenation of CO to methanol

    SciTech Connect (OSTI)

    Petrik, Nikolay G.; Monckton, Rhiannon J.; Koehler, Sven; Kimmel, Gregory A.

    2014-05-28

    Low-energy (100 eV) electron-stimulated reactions in layered H2O/CO/H2O ices are investigated. For CO trapped within approximately 50 ML of the vacuum interface in the amorphous solid water (ASW) films, both oxidation and reduction reactions are observed. However for CO buried more deeply in the film, only the reduction of CO to methanol is observed. Experiments with layered films of H2O and D2O show that the hydrogen atoms participating in the reduction of the buried CO originate in region from ~10 40 ML below the surface of the ASW films and subsequently diffuse through the film. For deeply buried CO layers, the CO reduction reactions quickly increase with temperature above ~60 K. We present a simple chemical kinetic model that treats the diffusion of hydrogen atoms in the ASW and sequential hydrogenation of the CO to methanol that accounts for the observations.

  19. COMPARISON OF TWO EPOCHS OF THE ZEEMAN EFFECT IN THE 44 GHz CLASS I METHANOL (CH{sub 3}OH) MASER LINE IN OMC-2

    SciTech Connect (OSTI)

    Momjian, E.; Sarma, A. P. E-mail: asarma@depaul.edu

    2012-12-01

    We present a second epoch of observations of the 44 GHz Class I methanol maser line toward the star-forming region Orion Molecular Cloud 2. The observations were carried out with the Very Large Array, and constitute one of the first successful Zeeman effect detections with the new Wide-band Digital Architecture correlator. Comparing to the result of our earlier epoch of data for this region, we find that the intensity of the maser increased by 50%, but the magnetic field value has stayed the same, within the errors. This suggests that the methanol maser may be tracing the large-scale magnetic field that is not affected by the bulk gas motions or turbulence on smaller scales that is causing the change in maser intensity.

  20. Vapor Synthesis and Thermal Modification of Supportless Platinum-Ruthenium Nanotubes and Application as Methanol Electrooxidation Catalysts

    SciTech Connect (OSTI)

    Atkinson III, Robert; Unocic, Raymond R; Unocic, Kinga A; Veith, Gabriel M; Papandrew, Alexander B; Zawodzinski, Thomas A

    2015-01-01

    Metallic, mixed-phase, and alloyed bimetallic Pt-Ru nanotubes were synthesized by a novel route based on the sublimation of metal acetylacetonate precursors and their subsequent vapor deposition within anodic alumina templates. Nanotube architectures were tuned by thermal annealing treatments. As-synthesized nanotubes are composed of nanoparticulate, metallic platinum and hydrous ruthenium oxide whose respective thicknesses depend on the sample chemical composition. The Pt-decorated, hydrous Ru oxide nanotubes may be thermally annealed to promote a series of chemical and physical changes to the nanotube structures including alloy formation, crystallite growth and morphological evolution. Annealed Pt-Ru alloy nanotubes and their as-synthesized analogs demonstrate relatively high specific activities for the oxidation of methanol. As-synthesized, mixed-phase Pt-Ru nanotubes (0.39 mA/cm2) and metallic alloyed Pt64Ru36NTs (0.33 mA/cm2) have considerably higher area-normalized activities than PtRu black (0.22 mA/cm2) at 0.65 V vs. RHE.

  1. Effects of CeO2 Support Facets on VOx/CeO2 Catalysts in Oxidative Dehydrogenation of Methanol

    SciTech Connect (OSTI)

    Li, Yan; Wei, Zhehao; Gao, Feng; Kovarik, Libor; Peden, Charles HF; Wang, Yong

    2014-05-13

    CeO2 supports with dominating facets, i.e., low index (100), (110) and (111) facets, are prepared. The facet effects on the structure and catalytic performance of supported vanadium oxide catalysts are investigated using oxidative dehydrogenation of methanol as a model reaction. In the presence of mixed facets, Infrared and Raman characterizations demonstrate that surface vanadia species preferentially deposit on CeO2 (100) facets, presumably because of its higher surface energy. At the same surface vanadium densities, VOx species on (100) facets show better dispersion, followed by (110) and (111) facets. The VOx species on CeO2 nanorods with (110) and (100) facets display higher activity and lower apparent activation energies compared to that on CeO2 nanopolyhedras with dominating (111) facets and CeO2 nanocubes with dominating (100) facets. The higher activity for VOx/CeO2(110) might be related to the more abundant oxygen vacancies present on the (110) facets, evidenced from Raman spectroscopic measurements.

  2. Experimental and theoretical investigations of non-centrosymmetric 8-hydroxyquinolinium dibenzoyl-(L)-tartrate methanol monohydrate single crystal

    SciTech Connect (OSTI)

    Sudharsana, N.; Krishnakumar, V.; Nagalakshmi, R.

    2015-01-15

    Graphical abstract: ORTEP diagram of HQDBT. - Highlights: • Single crystal XRD and NMR studies confirm the formation of the title compound. • SHG efficiency was found to be 0.6 times that of KDP. • First-order hyperpolarizability (β) was calculated using HF and B3LYP methods. - Abstract: A novel 8-hydroxyquinolinium dibenzoyl-(L)-tartrate methanol monohydrate crystal has been grown by slow evaporation technique. The single crystal X-ray diffraction analysis has been done for the title compound and is found to crystallize in orthorhombic space group P2{sub 1}2{sub 1}2{sub 1}. The optical absorption cut-off wavelength is found to be 440 nm. The vibrational analysis has been carried out to assess the functional groups present in the title compound. The molecular structure of the title compound has been confirmed by nuclear magnetic resonance spectroscopy. Thermogravimetric, differential scanning calorimetric and differential thermal analyses reveal the melting point and thermal stability of the title compound. The second harmonic generation efficiency is confirmed by Kurtz–Perry powder technique. Further quantum chemical calculations are performed using Gaussian 03 software.

  3. A comparison of unburned fuel and aldehyde emissions from a methanol-fueled stratified charge and homogeneous charge engine

    SciTech Connect (OSTI)

    Foster, D.E.; Kim, C.; Scull, N.

    1987-03-01

    This paper presents the results of an experimental program in which a Texaco L-163S engine was fueled with methanol and operated in its traditional stratified charge mode and then modified to run as a homogeneous charge spark ignited engine. The primary data taken were the aldehyde and unburned fuel emissions (UBF). Those data were taken using a continuous time-averaging sampling probe at the exhaust tank and at the exhaust port and with a rotary time-resolving sampling valve located at the exhaust port. The data are for two loads, 138.1 kPa (20 psi) and 207.1 kPa (30 psi) BMEP and three speeds, 1000, 1400 and 1800 rpm. The data indicate that both the stratified charge and the homogeneous charge modes of operation formaldehyde was the only aldehyde detected in the exhaust and it primarily originated in the exhaust and it primarily originated in the cylinder. Over the load and speed ranges tested, the unburned fuel emission were higher and the formaldehyde emission lower when comparing the stratified charge to the homogeneous charge operation. Time resolved data at the exhaust port for the two modes of operation are compared. The homogeneous charge operation had a uniform concentration of both unburned fuel and formaldehyde over the exhaust stroke. The stratified charge data shows large changes in the unburned fuel and moderate changes in the aldehyde concentrations during the exhaust stroke.

  4. THE FIRST VERY LONG BASELINE INTERFEROMETRY IMAGE OF A 44GHz METHANOL MASER WITH THE KVN AND VERA ARRAY (KaVA)

    SciTech Connect (OSTI)

    Matsumoto, Naoko; Hirota, Tomoya; Honma, Mareki; Kameya, Osamu; Sunada, Kazuyoshi; Sugiyama, Koichiro; Motogi, Kazuhito; Kim, Kee-Tae; Kim, Mikyoung; Byun, Do-Young; Jung, Taehyun; Kim, Jongsoo; Lyo, A-Ran; Oh, Chungsik; Bae, Jaehan; Chung, Hyunsoo; Chung, Moon-Hee; Cho, Se-Hyung; Chibueze, James O.; Shino, Nagisa; and others

    2014-07-01

    We have carried out the first very long baseline interferometry (VLBI) imaging of a 44GHz class I methanol maser (7{sub 0}-6{sub 1} A {sup +}) associated with a millimeter core MM2 in a massive star-forming region IRAS181511208 with KaVA (KVN and VERA Array), which is a newly combined array of KVN (Korean VLBI Network) and VERA (VLBI Exploration of Radio Astrometry). We have succeeded in imaging compact maser features with a synthesized beam size of 2.7milliarcsecondsנ1.5milliarcseconds (mas). These features are detected at a limited number of baselines within the length of shorter than ?650km corresponding to 100M? in the uv-coverage. The central velocity and the velocity width of the 44GHz methanol maser are consistent with those of the quiescent gas rather than the outflow traced by the SiO thermal line. The minimum component size among the maser features is ?5masנ2mas, which corresponds to the linear size of ?15AUנ6AU assuming a distance of 3kpc. The brightness temperatures of these features range from ?3.5 10{sup 8} to 1.0 10{sup 10}K, which are higher than the estimated lower limit from a previous Very Large Array observation with the highest spatial resolution of ?50mas. The 44GHz class I methanol maser in IRAS181511208 is found to be associated with the MM2 core, which is thought to be less evolved than another millimeter core MM1 associated with the 6.7GHz class II methanol maser.

  5. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Technical progress report number 6, October 1--December 31, 1995

    SciTech Connect (OSTI)

    1996-12-31

    The project involves the construction of an 80,000 gallons per day (260 TPD) methanol unit utilizing coal-derived synthesis gas from Eastman`s integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} process is ideally suited for directly processing gases produced by modern-day coal gasifiers. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface protecting the catalyst and allowing the methanol synthesis reaction to proceed at higher rates. At the Eastman complex, the technology will be integrated with existing coal-gasifiers. A carefully developed test plan will allow operations at Eastman to simulate electricity demand load-following in coal-based IGCC facilities. The operations will also demonstrate the enhanced stability and heat dissipation of the conversion process, its reliable on/off operation, and its ability to produce methanol as a clean liquid fuel without additional upgrading. An off-site product testing program will be conducted to demonstrate the suitability of the methanol product as a transportation fuel and as a fuel for stationary applications for small modular electric power generators for distributed power.

  6. Methanol Synthesis from CO2 Hydrogenation over a Pd4/In2O3 Model Catalyst: A Combined DFT and Kinetic Study

    SciTech Connect (OSTI)

    Ye, Jingyun; Liu, Changjun; Mei, Donghai; Ge, Qingfeng

    2014-08-01

    Methanol synthesis from CO2 hydrogenation on Pd4/In2O3 has been investigated using density functional theory (DFT) and microkinetic modeling. In this study, three possible routes in the reaction network of CO2 + H2 ? CH3OH + H2O have been examined. Our DFT results show that the HCOO route competes with the RWGS route whereas a high activation barrier kinetically blocks the HCOOH route. DFT results also suggest that H2COO* + H* ? H2CO* +OH* and cis-COOH* + H* ?CO* + H2O* are the rate limiting steps in the HCOO route and the RWGS route, respectively. Microkinetic modeling results demonstrate that the HCOO route is the dominant reaction route for methanol synthesis from CO2 hydrogenation. We found that the activation of H adatom on the small Pd cluster and the presence of H2O on the In2O3 substrate play important roles in promoting the methanol synthesis. The hydroxyl adsorbed at the interface of Pd4/In2O3 induces the transformation of the supported Pd4 cluster from a butterfly structure into a tetrahedron structure. This important structure change not only indicates the dynamical nature of the supported nanoparticle catalyst structure during the reaction but also shifts the final hydrogenation step from H2COH to CH3O.

  7. The complete, temperature resolved experimental spectrum of methanol (CH{sub 3}OH) between 214.6 and 265.4 GHz

    SciTech Connect (OSTI)

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

    2014-11-01

    The spectrum of methanol (CH{sub 3}OH) has been characterized between 214.6 and 265.4 GHz for astrophysically significant temperatures. Four hundred and eighty-six spectra with absolute intensity calibration recorded between 240 and 389 K provided a means for the calculation of the complete experimental spectrum (CES) of methanol as a function of temperature. The CES includes contributions from v{sub t} = 3 and other higher states that are difficult to model quantum mechanically (QM). It also includes the spectrum of the {sup 13}C isotopologue in terrestrial abundance. In general the QM models provide frequencies that are within 1 MHz of their experimental values, but there are several outliers that differ by tens of MHz. As in our recent work on methanol in the 560-654 GHz region, significant intensity differences between our experimental intensities and cataloged values were found. In this work these differences are explored in the context of several QM analyses. The experimental results presented here are analyzed to provide a frequency point-by-point catalog that is well suited for the simulation of crowded and overlapped spectra. Additionally, a catalog in the usual line frequency, line strength, and lower state energy format is provided.

  8. The effect of hydrogen bonding on torsional dynamics: A combined far-infrared jet and matrix isolation study of methanol dimer

    SciTech Connect (OSTI)

    Kollipost, F.; Heger, M.; Suhm, M. A.; Andersen, J.; Mahler, D. W.; Wugt Larsen, R.; Heimdal, J.

    2014-11-07

    The effect of strong intermolecular hydrogen bonding on torsional degrees of freedom is investigated by far-infrared absorption spectroscopy for different methanol dimer isotopologues isolated in supersonic jet expansions or embedded in inert neon matrices at low temperatures. For the vacuum-isolated and Ne-embedded methanol dimer, the hydrogen bond OH librational mode of the donor subunit is finally observed at ?560 cm{sup ?1}, blue-shifted by more than 300 cm{sup ?1} relative to the OH torsional fundamental of the free methanol monomer. The OH torsional mode of the acceptor embedded in neon is observed at ?286 cm{sup ?1}. The experimental findings are held against harmonic predictions from local coupled-cluster methods with single and double excitations and a perturbative treatment of triple excitations [LCCSD(T)] and anharmonic. VPT2 corrections at canonical MP2 and density functional theory (DFT) levels in order to quantify the contribution of vibrational anharmonicity for this important class of intermolecular hydrogen bond vibrational motion.

  9. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Technical progress report number 5, July 1--September 30, 1995

    SciTech Connect (OSTI)

    1995-12-31

    The project involves the construction of an 80,000 gallons per day (260 TPD) methanol unit utilizing coal-derived synthesis gas from Eastman`s integrated coal gasification facility. The new equipment consists of synthesis gas feed preparation and compression facilities, the liquid phase reactor and auxiliaries, product distillation facilities, and utilities. The technology to be demonstrated is the product of a cooperative development effort by Air Products and DOE in a program that started in 1981. Developed to enhance electric power generation using integrated gasification combined cycle (IGCC) technology, the LPMEOH{trademark} process is ideally suited for directly processing gases produced by modern-day coal gasifiers. Originally tested at a small, DOE-owned experimental unit in LaPorte, Texas, the technology provides several improvements essential for the economic coproduction of methanol and electricity directly from gasified coal. This liquid phase process suspends fine catalyst particles in an inert liquid, forming a slurry. The slurry dissipates the heat of the chemical reaction away from the catalyst surface, protecting the catalyst and allowing the methanol synthesis reaction to proceed at higher rates.

  10. Copper(II) imidazolate frameworks as highly efficient photocatalysts for reduction of CO{sub 2} into methanol under visible light irradiation

    SciTech Connect (OSTI)

    Li, Jingtian; Luo, Deliang; Yang, Chengju; He, Shiman; Chen, Shangchao; Lin, Jiawei; Zhu, Li; Li, Xin

    2013-07-15

    Three copper(II) imidazolate frameworks were synthesized by a hydrothermal (or precipitation) reaction. The catalysts were characterized by X-ray diffraction (XRD), nitrogen adsorption, transmission electron microscopy (TEM), ultravioletvisible spectroscopy (UVvis), Fourier transform infrared spectra (FTIR), thermogravimetry (TG). Meanwhile, the photocatalytic activities of the samples for reduction of CO{sub 2} into methanol and degradation of methylene blue (MB) under visible light irradiation were also investigated. The results show that the as-prepared samples exhibit better photocatalytic activities for the reduction of carbon dioxide into methanol with water and degradation of MB under visible light irradiation. The orthorhombic copper(II) imidazolate frameworks with a band gap of 2.49 eV and green (G) color has the best photocatalytic activity for reduction of CO{sub 2} into methanol, 1712.7 ?mol/g over 5 h, which is about three times as large as that of monoclinic copper(II) imidazolate frameworks with a band gap 2.70 eV and blue (J) color. The degradation kinetics of MB over three photocatalysts fitted well to the apparent first-order rate equation and the apparent rate constants for the degradation of MB over G, J and P (with pink color) are 0.0038, 0.0013 and 0.0016 min{sup ?1}, respectively. The synergistic effects of smallest band gap and orthorhombic crystal phase structure are the critical factors for the better photocatalytic activities of G. Moreover, three frameworks can also be stable up to 250 C. The investigation of Cu-based zeolitic imidazolate frameworks maybe provide a design strategy for a new class of photocatalysts applied in degradation of contaminations, reduction of CO{sub 2}, and even water splitting into hydrogen and oxygen under visible light. - Graphical abstract: Carbon dioxide was reduced into methanol with water over copper(II) imidazolate frameworks under visible light irradiation. - Highlights: Three copper(II) imidazolate frameworks were first applied in the photo-reduction of CO{sub 2}. The photocatalytic activities of the frameworks depend on their band gap and phase structures. The photocatalytic activity of orthorhombic frameworks is 3 times that of monoclinic frameworks. The degradation kinetics of MB over three photocatalysts followed the first-order rate equation. The largest yield for reduction of CO{sub 2} into methanol on green framworks was 1712.7 ?mol/g over 5 h.

  11. Methanol Oxidative Dehydrogenation on Oxide Catalysts: Molecular and Dissociative Routes and Hydrogen Addition Energies as Descriptors of Reactivity

    SciTech Connect (OSTI)

    Deshlahra, Prashant; Iglesia, Enrique

    2014-11-13

    The oxidative dehydrogenation (ODH) of alkanols on oxide catalysts is generally described as involving H-abstraction from alkoxy species formed via OH dissociation. Kinetic and isotopic data cannot discern between such routes and those involving kinetically-relevant H-abstraction from undissociated alkanols. Here, we combine such experiments with theoretical estimates of activation energies and entropies to show that the latter molecular routes prevail over dissociative routes for methanol reactions on polyoxometalate (POM) clusters at all practical reaction temperatures. The stability of the late transition states that mediate H-abstraction depend predominantly on the stability of the OH bond formed, making H-addition energies (HAE) accurate and single-valued descriptors of reactivity. Density functional theory-derived activation energies depend linearly on HAE values at each O-atom location on clusters with a range of composition (H3PMo12, H4SiMo12, H3PW12, H4PV1Mo11, and H4PV1W11); both barriers and HAE values reflect the lowest unoccupied molecular orbital energy of metal centers that accept the electron and the protonation energy of O-atoms that accept the proton involved in the H-atom transfer. Bridging O-atoms form OH bonds that are stronger than those of terminal atoms and therefore exhibit more negative HAE values and higher ODH reactivity on all POM clusters. For each cluster composition, ODH turnover rates reflect the reactivity-averaged HAE of all accessible O-atoms, which can be evaluated for each cluster composition to provide a rigorous and accurate predictor of ODH reactivity for catalysts with known structure. These relations together with oxidation reactivity measurements can then be used to estimate HAE values and to infer plausible structures for catalysts with uncertain active site structures.

  12. Soft X-ray irradiation of methanol ice: Formation of products as a function of photon energy

    SciTech Connect (OSTI)

    Chen, Y.-J.; Juang, K.-J.; Yih, T.-S.; Ciaravella, A.; Cecchi-Pestellini, C.; Muoz Caro, G. M.; Jimnez-Escobar, A.

    2013-12-01

    Pure methanol ices have been irradiated with monochromatic soft X-rays of 300 and 550 eV close to the 1s resonance edges of C and O, respectively, and with a broadband spectrum (250-1200 eV). The infrared (IR) spectra of the irradiated ices show several new products of astrophysical interest such as CH{sub 2}OH, H{sub 2}CO, CH{sub 4}, HCOOH, HCOCH{sub 2}OH, CH{sub 3}COOH, CH{sub 3}OCH{sub 3}, HCOOCH{sub 3}, and (CH{sub 2}OH){sub 2}, as well as HCO, CO, and CO{sub 2}. The effect of X-rays is the result of the combined interactions of photons and electrons with the ice. A significant contribution to the formation and growth of new species in the CH{sub 3}OH ice irradiated with X-rays is given by secondary electrons, whose energy distribution depends on the energy of X-ray photons. Within a single experiment, the abundances of the new products increase with the absorbed energy. Monochromatic experiments show that product abundances also increase with the photon energy. However, the abundances per unit energy of newly formed species show a marked decrease in the broadband experiment as compared to irradiations with monochromatic photons, suggesting a possible regulatory role of the energy deposition rate. The number of new molecules produced per absorbed eV in the X-ray experiments has been compared to those obtained with electron and ultraviolet (UV) irradiation experiments.

  13. Effects of piston surface treatments on performance and emissions of a methanol-fueled, direct injection, stratified charge engine

    SciTech Connect (OSTI)

    West, B.; Green, J.B.

    1994-07-01

    The purpose of this study was to investigate the effects of thermal barrier coatings and/or surface treatments on the performance and emissions of a methanol-fueled, direct-injection, stratified-charge (DISC) engine. A Ricardo Hydra Mark III engine was used for this work and in previous experiments at Oak Ridge National Laboratory (ORNL). The primary focus of the study was to examine the effects of various piston insert surface treatments on hydrocarbon (HC) and oxides of nitrogen (NO{sub x}) emissions. Previous studies have shown that engines of this class have a tendency to perform poorly at low loads and have high unburned fuel emissions. A blank aluminum piston was modified to employ removable piston bowl inserts. Four different inserts were tested in the experiment: aluminum, stainless steel with a 1.27-mm (0.050-in.) air gap (to act as a thermal barrier), and two stainless steel/air-gap inserts with coatings. Two stainless steel inserts were dimensionally modified to account for the coating thickness (1.27-mm) and coated identically with partially stabilized zirconia (PSZ). One of the coated inserts then had an additional seal-coat applied. The coated inserts were otherwise identical to the stainless steel/air-gap insert (i.e., they employed the same 1.27-mm air gap). Thermal barrier coatings were employed in an attempt to increase combustion chamber surface temperatures, thereby reducing wall quenching and promoting more complete combustion of the fuel in the quench zone. The seal-coat was applied to the zirconia to reduce the surface porosity; previous research suggested that despite the possibly higher surface temperatures obtainable with a ceramic coating, the high surface area of a plasma-sprayed coating may actually allow fuel to adhere to the surface and increase the unburned fuel emissions and fuel consumption.

  14. Conceptual process design and economics for the production of high-octane gasoline blendstock via indirect liquefaction of biomass through methanol/dimethyl ether intermediates

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

    Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Snowden-Swan, Lesley J.; Humbird, David; Schaidle, Joshua; Biddy, Mary

    2015-10-28

    This paper describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economicmore » analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an nth-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.« less

  15. Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

    SciTech Connect (OSTI)

    Aghamohammadi, Sogand; Haghighi, Mohammad; Charghand, Mojtaba

    2014-02-01

    Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: Introduction of Ce into SAPO-34 framework. Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. The nature of the template determines the physiochemical properties of CeAPSO-34. Morpholine enhances catalyst lifetime in MTO process. Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH{sub 3}-TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH{sub 3}-TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion.

  16. The effects of zirconia morphology on methanol synthesis from COand H2 over Cu/ZrO2 catalysts: Part I -- Steady-State Studies

    SciTech Connect (OSTI)

    Rhodes, Michael J.; Bell, Alexis T.

    2005-03-21

    The effect of zirconia phase on the activity and selectivityof Cu/ZrO2 for the hydrogenation of CO has been investigated. Relativelypure t-ZrO2 and m-ZrO2 were prepared with high surface areas (~; 145m2/g). Copper was then deposited onto the surface of these materials byeither incipient-wetness impregnation or deposition-precipitation. For afixed Cu surface area, Cu/m-ZrO2 was tenfold more active for methanolsynthesis than Cu/t-ZrO2 from a feed of 3/1 H2/CO at 3.0 MPa andtemperatures between 473 and 523 K. Cu/m-ZrO2 also exhibited a higherselectivity to methanol. Increasing the Cu surface area on m-ZrO2resulted in further improvement in activity with minimal change inselectivity. Methanol productivity increased linearly for both Cu/t-ZrO2and Cu/m-ZrO2 with increasing Cu surface area. The difference in inherentactivity of each phase paralleled the stronger and larger CO adsorptioncapacity of the Cu/m-ZrO2 as quantified by CO-TPD. The higher COadsorption capacity of Cu/m-ZrO2 is attributed to the presence of a highconcentration of anionic vacancies on the surface of m-ZrO2. Suchvacancies expose cus-Zr4+ cations, which act as Lewis acid centers andenhance the Bronsted acidity of adjacent Zr-OH groups. The presence ofcus-Zr4+ sites and adjacent Bronsted acidic Zr-OH groups contributes tothe adsorption of CO as HCOO-Zr groups, which are the initial precursorsto methanol.

  17. Conceptual process design and economics for the production of high-octane gasoline blendstock via indirect liquefaction of biomass through methanol/dimethyl ether intermediates

    SciTech Connect (OSTI)

    Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Snowden-Swan, Lesley J.; Humbird, David; Schaidle, Joshua; Biddy, Mary

    2015-10-28

    This paper describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economic analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an nth-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.

  18. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Lui, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared multifunctional ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. These NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  19. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

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

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt₇Ru₃ NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication ofmore » crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.« less

  20. Electron-stimulated reactions in layered CO/H{sub 2}O films: Hydrogen atom diffusion and the sequential hydrogenation of CO to methanol

    SciTech Connect (OSTI)

    Petrik, Nikolay G.; Kimmel, Greg A.; Monckton, Rhiannon J.; Koehler, Sven P. K.

    2014-05-28

    Low-energy (100 eV) electron-stimulated reactions in layered H{sub 2}O/CO/H{sub 2}O ices are investigated. For CO layers buried in amorphous solid water (ASW) films at depths of 50 monolayers (ML) or less from the vacuum interface, both oxidation and reduction reactions are observed. However, for CO buried more deeply in ASW films, only the reduction of CO to methanol is observed. Experiments with layered films of H{sub 2}O and D{sub 2}O show that the hydrogen atoms participating in the reduction of the buried CO originate in the region that is 1050 ML below the surface of the ASW films and subsequently diffuse through the film. For deeply buried CO layers, the CO reduction reactions quickly increase with temperature above ?60 K. We present a simple chemical kinetic model that treats the diffusion of hydrogen atoms in the ASW and sequential hydrogenation of the CO to methanol to account for the observations.

  1. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

    SciTech Connect (OSTI)

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; Adzic, Radoslav R.

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs). Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.

  2. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared multifunctional ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  3. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

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

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; et al

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs).more » Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.« less

  4. Hydrogenation of CO2 to methanol: Importance of metal–oxide and metal–carbide interfaces in the activation of CO2

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

    Rodriguez, José A.; Liu, Ping; Stacchiola, Dario J.; Senanayake, Sanjaya D.; White, Michael G.; Chen, Jingguang G.

    2015-09-30

    In this study, the high thermochemical stability of CO2 makes it very difficult to achieve the catalytic conversion of the molecule into alcohols or other hydrocarbon compounds, which can be used as fuels or the starting point for the generation of fine chemicals. Pure metals and bimetallic systems used for the CO2 → CH3OH conversion usually bind CO2 too weakly and, thus, show low catalytic activity. Here, we discuss a series of recent studies that illustrate the advantages of metal–oxide and metal–carbide interfaces when aiming at the conversion of CO2 into methanol. CeOx/Cu(111), Cu/CeOx/TiO2(110), and Au/CeOx/TiO2(110) exhibit an activity formore » the CO2 → CH3OH conversion that is 2–3 orders of magnitude higher than that of a benchmark Cu(111) catalyst. In the Cu–ceria and Au–ceria interfaces, the multifunctional combination of metal and oxide centers leads to complementary chemical properties that open active reaction pathways for methanol synthesis. Efficient catalysts are also generated after depositing Cu and Au on TiC(001). In these cases, strong metal–support interactions modify the electronic properties of the admetals and make them active for the binding of CO2 and its subsequent transformation into CH3OH at the metal–carbide interfaces.« less

  5. Characterization and oxidation states of Cu and Pd in Pd?CuO/ZnO/ZrO[subscript 2] catalysts for hydrogen production by methanol partial oxidation

    SciTech Connect (OSTI)

    Schuyten, S.; Guerrero, S.; Miller, J.T.; Shibatae, T.; Wolf, E.E.

    2009-01-30

    Copper and zinc oxide based catalysts prepared by coprecipitation were promoted with palladium and ZrO{sub 2}, and their activity and selectivity for methanol oxidative reforming was measured and characterized by N{sub 2}O decomposition, X-ray absorption spectroscopy, BET, X-ray photoelectron spectroscopy, X-ray diffraction, and temperature programmed reduction. Addition of ZrO{sub 2} increased copper dispersion and surface area, with little effect on activity, while palladium promotion significantly enhanced activity with little change of the catalytic structure. A catalyst promoted with both ZrO{sub 2} and palladium yielded hydrogen below 150 C. EXAFS results under reaction conditions showed that the oxidation state of copper was influenced by palladium in the catalyst bulk. A palladium promoted catalyst contained 90% Cu{sup 0}, while the copper in an unpromoted catalyst was 100% Cu{sup 1+} at the same temperature. Palladium preferentially forms an unstable alloy with copper instead of zinc during reduction, which persists during reaction regardless of copper oxidation state. A 100-h time on stream activity measurement showed growth in copper crystallites and change in copper oxidation state resulting in decreasing activity and selectivity. A kinetic model of the reaction pathway showed that palladium and ZrO{sub 2} promoters lower the activation energy of methanol combustion and steam reforming reactions.

  6. Active Oxygen Vacancy Site for Methanol Synthesis from CO2 Hydrogenation on In2O3(110): A DFT Study

    SciTech Connect (OSTI)

    Ye, Jingyun; Liu, Changjun; Mei, Donghai; Ge, Qingfeng

    2013-06-03

    Methanol synthesis from CO2 hydrogenation on the defective In2O3(110) surface with surface oxygen vacancies has been investigated using periodic density functional theory calculations. The relative stabilities of six possible surface oxygen vacancies numbered from Ov1 to Ov6 on the perfect In2O3(110) surface were examined. The calculated oxygen vacancy formation energies show that the D1 surface with the Ov1 defective site is the most thermodynamically favorable while the D4 surface with the Ov4 defective site is the least stable. Two different methanol synthesis routes from CO2 hydrogenation over both D1 and D4 surfaces were studied and the D4 surface was found to be more favorable for CO2 activation and hydrogenation. On the D4 surface, one of the O atoms of the CO2 molecule fills in the Ov4 site upon adsorption. Hydrogenation of CO2 to HCOO on the D4 surface is both thermodynamically and kinetically favorable. Further hydrogenation of HCOO involves both forming the C-H bond and breaking the C-O bond, resulting in H2CO and hydroxyl. The HCOO hydrogenation is slightly endothermic with an activation barrier of 0.57 eV. A high barrier of 1.14 eV for the hydrogenation of H2CO to H3CO indicates that this step is the rate-limiting step in the methanol synthesis on the defective In2O3(110) surface. We gratefully acknowledge the supports from the National Natural Science Foundation of China (#20990223) and from US Department of Energy, Basic Energy Science program (DE-FG02-05ER46231). D. Mei was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. The computations were performed in part using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at Pacific Northwest National Laboratory in Richland, Washington. PNNL is a multiprogram national laboratory operated for DOE by Battelle.

  7. Low pressure CO? hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiO? interface

    SciTech Connect (OSTI)

    Yang, Xiaofang; Boscoboinik, J. Anibal; Kattel, Shyam; Senanayake, Sanjaya D.; Nie, Xiaowa; Graciani, Jesus; Rodriguez, Jose A.; Liu, Ping; Stacchiola, Dario J.; Chen, Jingguang G.

    2015-07-28

    Capture and recycling of CO? into valuable chemicals such as alcohols could help mitigate its emissions into the atmosphere. Due to its inert nature, the activation of CO? is a critical step in improving the overall reaction kinetics during its chemical conversion. Although pure gold is an inert noble metal and cannot catalyze hydrogenation reactions, it can be activated when deposited as nanoparticles on the appropriate oxide support. In this combined experimental and theoretical study, it is shown that an electronic polarization at the metaloxide interface of Au nanoparticles anchored and stabilized on a CeOx/TiO? substrate generates active centers for CO? adsorption and its low pressure hydrogenation, leading to a higher selectivity toward methanol. In conclusion, this study illustrates the importance of localized electronic properties and structure in catalysis for achieving higher alcohol selectivity from CO? hydrogenation.

  8. Identification of 6-octadecynoic acid from a methanol extract of Marrubium vulgare L. as a peroxisome proliferator-activated receptor ? agonist

    SciTech Connect (OSTI)

    Ohtera, Anna; Miyamae, Yusaku; Nakai, Naomi; Kawachi, Atsushi; Kawada, Kiyokazu; Han, Junkyu; Isoda, Hiroko; Faculty of Life and Environment, University of Tsukuba, Ibaraki 305-8572 ; Neffati, Mohamed; Akita, Toru; Maejima, Kazuhiro; Masuda, Seiji; Kambe, Taiho; Mori, Naoki; Irie, Kazuhiro; Nagao, Masaya

    2013-10-18

    Highlights: 6-ODA, a rare fatty acid with a triple bond, was identified from Marrubium vulgare. 6-ODA was synthesized from petroselinic acid as a starting material. 6-ODA stimulated lipid accumulation in HSC-T6 and 3T3-L1 cells. The first report of a fatty acid with a triple bond functioning as a PPAR? agonist. This study sheds light on novel functions of a fatty acid with a triple bond. -- Abstract: 6-Octadecynoic acid (6-ODA), a fatty acid with a triple bond, was identified in the methanol extract of Marrubium vulgare L. as an agonist of peroxisome proliferator-activated receptor ? (PPAR?). Fibrogenesis caused by hepatic stellate cells is inhibited by PPAR? whose ligands are clinically used for the treatment of diabetes. Plant extracts of Marrubium vulgare L., were screened for activity to inhibit fibrosis in the hepatic stellate cell line HSC-T6 using Oil Red-O staining, which detects lipids that typically accumulate in quiescent hepatic stellate cells. A methanol extract with activity to stimulate accumulation of lipids was obtained. This extract was found to have PPAR? agonist activity using a luciferase reporter assay. After purification using several chromatographic methods, 6-ODA, a fatty acid with a triple bond, was identified as a candidate of PPAR? agonist. Synthesized 6-ODA and its derivative 9-octadecynoic acid (9-ODA), which both have a triple bond but in different positions, activated PPAR? in a luciferase reporter assay and increased lipid accumulation in 3T3-L1 adipocytes in a PPAR?-dependent manner. There is little information about the biological activity of fatty acids with a triple bond, and to our knowledge, this is the first report that 6-ODA and 9-ODA function as PPAR? agonists.

  9. Hydrogenation of CO2 to methanol: Importance of metal–oxide and metal–carbide interfaces in the activation of CO2

    SciTech Connect (OSTI)

    Rodriguez, José A.; Liu, Ping; Stacchiola, Dario J.; Senanayake, Sanjaya D.; White, Michael G.; Chen, Jingguang G.

    2015-09-30

    In this study, the high thermochemical stability of CO2 makes it very difficult to achieve the catalytic conversion of the molecule into alcohols or other hydrocarbon compounds, which can be used as fuels or the starting point for the generation of fine chemicals. Pure metals and bimetallic systems used for the CO2 → CH3OH conversion usually bind CO2 too weakly and, thus, show low catalytic activity. Here, we discuss a series of recent studies that illustrate the advantages of metal–oxide and metal–carbide interfaces when aiming at the conversion of CO2 into methanol. CeOx/Cu(111), Cu/CeOx/TiO2(110), and Au/CeOx/TiO2(110) exhibit an activity for the CO2 → CH3OH conversion that is 2–3 orders of magnitude higher than that of a benchmark Cu(111) catalyst. In the Cu–ceria and Au–ceria interfaces, the multifunctional combination of metal and oxide centers leads to complementary chemical properties that open active reaction pathways for methanol synthesis. Efficient catalysts are also generated after depositing Cu and Au on TiC(001). In these cases, strong metal–support interactions modify the electronic properties of the admetals and make them active for the binding of CO2 and its subsequent transformation into CH3OH at the metal–carbide interfaces.

  10. Effect of cerium incorporation into zirconia on the activity ofCu/ZrO2 for methanol synthesis via CO hydrogenation

    SciTech Connect (OSTI)

    Pokrovski, Konstantin A.; Rhodes, Michael D.; Bell, Alexis T.

    2005-08-24

    The effects of Ce incorporation into ZrO2 on the catalyticperformance of Cu/ZrO2 for the hydrogenation of CO have beeninvestigated. A Ce0.3Zr0.7O2 solid solution was synthesized by forcedhydrolysis at low pH. After calcination at 873 K, XRD and Ramanspectroscopy characterization indicated that the Ce0.3Zr0.7O2 had a t''crystal structure. 1.2 wt percent Cu/Ce0.3Zr0.7O2 exhibited H2consumption peaks at low temperature (<473 K) during H2-TPRindicating a significant fraction (~; 70 percent) of Ce4+ is reduced toCe3+. 1.2 wt percent Cu/Ce0.3Zr0.7O2 is 2.7 times more active formethanol synthesis than 1.2 wt percent Cu/m-ZrO2 at 3.0 MPa attemperatures between 473 and 523 K and exhibits a higher selectivity tomethanol. In-situ infrared spectroscopy shows that, analogous toCu/m-ZrO2, the primary surface species on Cu/Ce0.3Zr0.7O2 during COhydrogenation are formate and methoxide species. A shift in the bandposition of the bridged methoxide species indicated that some of thesegroups were bonded to both Zr4+ and Ce3+ cations. For both catalysts, therate-limiting step for methanol synthesis is the reductive elimination ofmethoxide species. The higher rate of methanol synthesis onCu/Ce0.3Zr0.7O2 relative to Cu/m-ZrO2 was primarily due to a ~; 2.4 timeshigher apparent rate constant, kapp, for methoxide hydrogenation, whichis attributed to the higher surface concentration of H atoms on theformer catalyst. The increased capacity of the Ce-containing catalyst isattributed to interactions of H atoms with Ce-O pairs present at thesurface of the oxide phase.

  11. High-Efficiency Solid State Cooling Technologies: Non-Equilibrium Asymmetic Thermoelectrics (NEAT) Devices

    SciTech Connect (OSTI)

    2010-09-01

    BEETIT Project: Sheetak is developing a thermoelectric-based solid state cooling system to replace typical air conditioners that use vapor compression to cool air. With noisy mechanical components, vapor compression systems use a liquid refrigerant to circulate within the air conditioner, absorb heat, and pump the heat out into the external environment. With no noisy moving parts or polluting refrigerants, thermoelectric systems rely on an electrical current being passed through the junction of the two different conducting materials to change temperature. Using advanced semiconductor technology, Sheetak is improving solid state cooling systems by using proprietary thermoelectric materials along with other innovations to achieve significant energy efficiency. Sheetaks new design displaces compressor-based technology; improves reliability; and decreases energy usage. Sheetaks use of semiconductor manufacturing methods leads to less material usefacilitating cheaper production.

  12. Methanol Decomposition over Palladium Particles Supported on Silica: Role of Particle Size and Co-Feeding Carbon Dioxide on the Catalytic Properties

    SciTech Connect (OSTI)

    Hokenek, Selma; Kuhn, John N. (USF)

    2012-10-23

    Monodisperse palladium particles of six distinct and controlled sizes between 4-16 nm were synthesized in a one-pot polyol process by varying the molar ratios of the two palladium precursors used, which contained palladium in different oxidation states. This difference permitted size control by regulation of the nucleation rate because low oxidation state metals ions nucleate quickly relative to high oxidation state ions. After immobilization of the Pd particles on silica by mild sonication, the catalysts were characterized by X-ray absorption spectroscopy and applied toward catalytic methanol decomposition. This reaction was determined as structure sensitive with the intrinsic activity (turnover frequency) increasing with increasing particle size. Moreover, observed catalytic deactivation was linked to product (carbon monoxide) poisoning. Co-feeding carbon dioxide caused the activity and the amount of deactivation to decrease substantially. A reaction mechanism based on the formation of the {pi}-bond between carbon and oxygen as the rate-limiting step is in agreement with antipathetic structure sensitivity and product poisoning by carbon monoxide.

  13. Liquid phase methanol LaPorte process development unit: Modification operation, and support studies. Task 3.6/3.7: Alternative catalyst/life run

    SciTech Connect (OSTI)

    Not Available

    1991-01-28

    In April 1987, Air Products started the third and final contract with the US Department of Energy to develop the Liquid Phase Methanol (LPMEOH) process. One of the objectives was to identify alternative commercial catalyst(s) for the process. This objective was strategically important as we want to demonstrate that the LPMEOH process is flexible and not catalyst selection limited. Among three commercially available catalysts evaluated in the lab, the catalyst with a designation of F21/0E75-43 was the most promising candidate. The initial judging criteria included not only the intrinsic catalyst activity but also the ability to be used effectively in a slurry reactor. The catalyst was then advanced for a 40-day life test in a laboratory 300 cc autoclave. The life test result also revealed superior stability when compared with that of a standard catalyst. Consequently, the new catalyst was recommended for demonstration in the Process Development Unit (PDU) at LaPorte, Texas. This report details the methodology of testing and selecting the catalyst.

  14. Process Design and Economics for the Conversion of Lignocellulosic Biomass to Hydrocarbons via Indirect Liquefaction. Thermochemical Research Pathway to High-Octane Gasoline Blendstock Through Methanol/Dimethyl Ether Intermediates

    SciTech Connect (OSTI)

    Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Schaidle, Josh; Biddy, Mary; Humbird, David; Snowden-Swan, Lesley J.; Ross, Jeff; Sexton, Danielle; Yap, Raymond; Lukas, John

    2015-03-01

    This report was developed as part of the U.S. Department of Energy’s Bioenergy Technologies Office’s (BETO’s) efforts to enable the development of technologies for the production of infrastructure-compatible, cost-competitive liquid hydrocarbon fuels from lignocellulosic biomass feedstocks. The research funded by BETO is designed to advance the state of technology of biomass feedstock supply and logistics, conversion, and overall system sustainability. It is expected that these research improvements will be made within the 2022 timeframe. As part of their involvement in this research and development effort, the National Renewable Energy Laboratory and the Pacific Northwest National Laboratory investigate the economics of conversion pathways through the development of conceptual biorefinery process models and techno-economic analysis models. This report describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas or syngas via indirect gasification, gas cleanup, catalytic conversion of syngas to methanol intermediate, methanol dehydration to dimethyl ether (DME), and catalytic conversion of DME to high-octane, gasoline-range hydrocarbon blendstock product. The conversion process configuration leverages technologies previously advanced by research funded by BETO and demonstrated in 2012 with the production of mixed alcohols from biomass. Biomass-derived syngas cleanup via reforming of tars and other hydrocarbons is one of the key technology advancements realized as part of this prior research and 2012 demonstrations. The process described in this report evaluates a new technology area for the downstream utilization of clean biomass-derived syngas for the production of high-octane hydrocarbon products through methanol and DME intermediates. In this process, methanol undergoes dehydration to DME, which is subsequently converted via homologation reactions to high-octane, gasoline-range hydrocarbon products.

  15. Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) process. Technical progress report number 11, January 1--March 31, 1997

    SciTech Connect (OSTI)

    1997-06-11

    During this quarter, the third draft of the Topical Report on Process Economics Studies was issued for review. A recommendation to continue with design verification testing on the coproduction of methanol and dimethyl ether (DME) was made. A liquid phase dimethyl ether (LPDME) catalyst system with reasonable long-term activity and stability is being developed, and a decision to proceed with a proof-of-concept test run at the LaPorte Alternative Fuels Development Unit (AFDU) is pending the release of a memo from Air Products on the catalyst targets and corresponding economics for a commercially successful LPDME catalyst. The off-site product-use test plan is to be updated in June of 1997. During this quarter, Air Products and Acurex Environmental Corporation continued developing the listing of product-use test participants who are involved in fuel cell, transportation, and stationary power plant applications. Start-up activities (Task 3.1) began during the reporting period, and coal-derived synthesis gas (syngas) was introduced to the demonstration unit. The recycle compressor was tested successfully on syngas at line pressure of 700 psig, and the reactor loop reached 220 C for carbonyl burnout. Iron carbonyl in the balanced gas feed remained below the 10 ppbv detection limit for all samples but one. Within the reactor loop, iron carbonyl levels peaked out near 200 ppbv after about 40 hours on-stream, before decreasing to between 10--20 ppbv at 160 hours on -stream. Nickel carbonyl measurements reached a peak of about 60 ppbv, and decreased at all sampling locations to below the 10 ppbv detection limit by 70 hours on-stream. Catalyst activation of the nine 2,250 lb batches required for the initial catalyst charge began and concluded. All batches met or slightly exceeded the theoretical maximum uptake of 2.82 SCF of reducing gas/lb catalyst.

  16. Methanol tailgas combustor control method

    DOE Patents [OSTI]

    Hart-Predmore, David J. (Rochester, NY); Pettit, William H. (Rochester, NY)

    2002-01-01

    A method for controlling the power and temperature and fuel source of a combustor in a fuel cell apparatus to supply heat to a fuel processor where the combustor has dual fuel inlet streams including a first fuel stream, and a second fuel stream of anode effluent from the fuel cell and reformate from the fuel processor. In all operating modes, an enthalpy balance is determined by regulating the amount of the first and/or second fuel streams and the quantity of the first air flow stream to support fuel processor power requirements.

  17. Kinetic isotope effects and tunneling in cyclic double and triple proton transfer between acetic acid and methanol in tetrahydrofuran studied by dynamic /sup 1/H and /sup 2/H NMR spectroscopy

    SciTech Connect (OSTI)

    Gerritzen, D.; Limbach, H.H.

    1984-02-22

    Previous studies of proton exchange and hydrogen bonding between acetic acid (A) and methanol (B) in tetrahydrofuran-d/sub 8/ have been extended to the study of the primary kinetic H/D isotope effects of the exchange. For this purpose a new combination of dynamic /sup 1/H and /sup 2/H NMR spectroscopy has been used to perform an ''NMR proton inventory''. The following rate law was obtained at deuterium fractions D=0 and D=1 of the exchangeable protonic sites: NU=k/sup LL/ C/sub A/C/sub B/+k/sub LLL/C/sub A//sup 2/C/sub B/ (L=H,D). This was attributed to a superposition of cyclic double and triple proton exchange involving one and two molecules of acetic acid and one molecule of methanol. Additional experiments were carried out at intermediate deuterium fractions. Thus, the kinetic HH/HD/DD and HHH/HHD/DDD isotope effects of the exchange as a function of the temperature was measured successfully. This has been achieved for the first time for well-defined intermolecular multiple-proton-transfer reactions. The possibility of determining the number of protons transferred in a chemical reaction by performing an NMR proton inventory is discussed. The rule of the geometric mean (RGM) is fulfilled for the kinetic isotope effects of the LLL process, which are almost independent of temperature within the margin of error. By contrast, the RGM is not fullfilled for the LL process, and the kinetic isotope effects depend strongly on the temperature. The energies of activation and frequency factors fit Bell's criteria of tunneling. The kinetic results are in good agreement with predictions of transition-state theory but can be explained by an intermolecular tunneling model. The results are proof that acetic acid and methanol form cyclic hydrogen-bonded 1:1 and 2:1 complexes which have very low concentration in tetrahydrofuran.

  18. ProtoFlex Corp formerly Alpha Optics Inc | Open Energy Information

    Open Energy Info (EERE)

    systems, engineering pilot plants, and coating services for metals, silicon, and lithium, with some PV applications. Coordinates: 41.297205, -106.138489 Show Map Loading...

  19. Advancing Plug-In Hybrid Technology and Flex Fuel Application on a Chrysler Minivan

    SciTech Connect (OSTI)

    Bazzi, Abdullah; Barnhart, Steven

    2014-12-31

    FCA US LLC viewed this DOE funding as a historic opportunity to begin the process of achieving required economies of scale on technologies for electric vehicles. The funding supported FCA US LLCs light-duty electric drive vehicle and charging infrastructure-testing activities and enabled FCA US LLC to utilize the funding on advancing Plug-in Hybrid Electric Vehicle (PHEV) technologies to future programs. FCA US LLC intended to develop the next generations of electric drive and energy batteries through a properly paced convergence of standards, technology, components, and common modules, as well as first-responder training and battery recycling. To support the development of a strong, commercially viable supplier base, FCA US LLC also used this opportunity to evaluate various designated component and sub-system suppliers. The original project proposal was submitted in December 2009 and selected in January 2010. The project ended in December 2014.

  20. Development of an SI DI Ethanol Optimized Flex Fuel Engine Using...

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

    Presentation given at the 16th Directions in Engine-Efficiency and Emissions Research (DEER) Conference in Detroit, MI, September 27-30, 2010. PDF icon deer10moore.pdf More ...

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

    SciTech Connect (OSTI)

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

    2014-09-07

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

  2. WPN 05-7: Weatherization Assistant [National Energy Audit (Neat) and Manufactured Home Energy Audit (MHEA)] Software Upgrade Availability

    Broader source: Energy.gov [DOE]

    To provide states with instructions for obtaining the Weatherization Assistance Program's 2005 upgraded audit software package.

  3. Capital and operating cost estimates. Volume I. Preliminary design and assessment of a 12,500 BPD coal-to-methanol-to-gasoline plant. [Grace C-M-G Plant, Henderson County, Kentucky

    SciTech Connect (OSTI)

    Not Available

    1982-08-01

    This Deliverable No. 18b - Capital and Operating Cost Estimates includes a detailed presentation of the 12,500 BPD coal-to-methanol-to-gasoline plant from the standpoint of capital, preoperations, start-up and operations cost estimation. The base capital cost estimate in June 1982 dollars was prepared by the Ralph M. Parsons Company under the direction of Grace. The escalated capital cost estimate as well as separate estimates for preoperations, startup and operations activities were developed by Grace. The deliverable consists of four volumes. Volume I contains details of methodology used in developing the capital cost estimate, summary information on a base June 1982 capital cost, details of the escalated capital cost estimate and separate sections devoted to preoperations, start-up, and operations cost. The base estimate is supported by detailed information in Volumes II, III and IV. The degree of detail for some units was constrained due to proprietary data. Attempts have been made to exhibit the estimating methodology by including data on individual equipment pricing. Proprietary details are available for inspection upon execution of nondisclosure and/or secrecy agreements with the licensors to whom the data is proprietary. Details of factoring certain pieces of equipment and/or entire modules or units from the 50,000 BPD capital estimate are also included. In the case of the escalated capital estimate, Grace has chosen to include a sensitivity analysis which allows for ready assessment of impacts of escalation rates (inflation), contingency allowances and the construction interest financing rates on the escalated capital cost. Each of the estimates associated with bringing the plant to commercial production rates has as a basis the schedule and engineering documentation found in Deliverable No. 14b - Process Engineering and Mechanical Design Report, No. 28b - Staffing Plans, No. 31b - Construction Plan, and No. 33b - Startup and Operation Plan.

  4. Vehicular fuels and additives for the future

    SciTech Connect (OSTI)

    Not Available

    1988-01-01

    Interest in automotive fuel is resurging. Automobile fuels must increasingly deal with clean air regulations and ozone problems. Furthermore, feedstocks become heavier,as refinery production changes, as more unleaded is produced, and as an increasing number of pollution regulations must be satisfied greater attention will be paid to better mixtures, solvents, additives, and neat methanol. BCC report analyzes developments technologies, markets, players and the political/regulations aspects of this important market. Study also assesses the advantages and drawbacks of methanol, ethanol, MTBE and other additives which have their place as octane enhancers and fuel substitutes-all now deeply involved in the gasoline modification battle. Other issues addressed are subsidies, farm lobbying, imports, pricing, economics, Detroit's response, neat fuel testing projects, volatility problems vs. fewer ozone-forming hydrocarbon species, and emission ratings.

  5. Word Pro - Untitled1

    Gasoline and Diesel Fuel Update (EIA)

    1 Table 10.5 Estimated Number of Alternative-Fueled Vehicles in Use and Fuel Consumption, 1992-2010 Year Alternative and Replacement Fuels 1 Liquefied Petroleum Gases Compressed Natural Gas Liquefied Natural Gas Methanol, 85 Percent (M85) 3 Methanol, Neat (M100) 4 Ethanol, 85 Percent (E85) 3,5 Ethanol, 95 Percent (E95) 3 Elec- tricity 6 Hydro- gen Other Fuels 7 Subtotal Oxygenates 2 Bio- diesel 10 Total Methyl Tertiary Butyl Ether 8 Ethanol in Gasohol 9 Total Alternative-Fueled Vehicles in Use

  6. Table 10.5 Estimated Number of Alternative-Fueled Vehicles in Use and Fuel Consumption, 1992-2010

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

    Estimated Number of Alternative-Fueled Vehicles in Use and Fuel Consumption, 1992-2010 Year Alternative and Replacement Fuels 1 Liquefied Petroleum Gases Compressed Natural Gas Liquefied Natural Gas Methanol, 85 Percent (M85) 3 Methanol, Neat (M100) 4 Ethanol, 85 Percent (E85) 3,5 Ethanol, 95 Percent (E95) 3 Elec- tricity 6 Hydro- gen Other Fuels 7 Subtotal Oxygenates 2 Bio- diesel 10 Total Methyl Tertiary Butyl Ether 8 Ethanol in Gasohol 9 Total Alternative-Fueled Vehicles in Use 11

  7. Development of alternative fuels from coal derived syngas. Topical report: Task 2.2, Demonstration of a one-step slurry-phase process for the production of dimethyl ether/methanol mixtures at the LaPorte Alternative Fuels Development Unit

    SciTech Connect (OSTI)

    Not Available

    1993-06-01

    This report documents engineering, modification, and operations efforts of demonstration of dimethyl-ether/methanol coproduction in a slurry-phase reactor, carried out in a 2-ft diameter bubble column reactor. Equipment modifications made it possible to remove the product DME and by-product CO{sub 2} from the reactor effluent. Coproduction of dimethyl-ether (DME) and methanol (MeOH) was accomplished in the slurry reactor by physically mixing two different catalysts. The catalyst used to produce MeOH from syngas was manufactured by BASF (type S3-86); the catalyst used to convert MeOH to DME was Catapal {gamma}-alumina. Ratio of MeOH to DME catalysts determined the selectivity towards DME. The demonstration sought to study effect of cocatalyst ratio on product selectivity. Three different proportions of DME catalyst were examined: 0, 6.6, and 19.3 wt % alumina. At each catalyst proportion, the plant was operated at two different gas space velocities. Some process variables were maintained at fixed conditions; most important variables included: reactor temperature (482F), reactor pressure (750 psig), and reactor feed gas composition (35% H{sub 2}, 51% CO,13% CO{sub 2} 1% other, nominal-molar basis).

  8. Desorption Kinetics of Methanol, Ethanol, and Water from Graphene...

    Office of Scientific and Technical Information (OSTI)

    desorption kinetics would be readily apparent in the experimental TPD spectra. Authors: Smith, R. Scott ; Matthiesen, Jesper ; Kay, Bruce D. Publication Date: 2014-09-18 OSTI...

  9. From CO2 to Methanol via Novel Nanocatalysts

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

    from mixtures of H2 and CO (or sometimes CO2) at elevated pressures (50 to 100 atm) and temperatures (450 to 600 K) using catalysts containing copper and zinc oxide. The...

  10. From CO2 to Methanol via Novel Nanocatalysts

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

    up with a net reduction in the CO2 emitted. Thus, effective catalysts that can lower the energy requirements for CO2 chemical reactions are an important part of the equation....

  11. Mechanistic study of methanol synthesis from CO? and H? on...

    Office of Scientific and Technical Information (OSTI)

    K, Ti, Co, Rh, Ni, and Cu)-modified model MoS catalyst using density functional theory (DFT). The results show that the catalytic behavior of a MoS cluster is...

  12. Low temperature catalysts and process for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.

    1984-02-21

    This patent discloses a catalyst and process useful in low temperatures (=1500/sup 0/C) and preferably in the range 80 to 120/sup 0/C us

  13. Converting Methane to Methanol: Structural Insight into the Reaction Center

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

    of Particulate Methane Monooxygenase 3 Raquel L. Lieberman,* Amy C. Rosenzweig,* and Timothy L. Stemmler# *Depts. of Biochemistry, Molecular Biology, and Cell Biology and of Chemistry, Northwestern University, Evanston, Illinois 60208, USA #Dept. of Biochemistry and Molecular Biology, Wayne State University, School of Medicine, Detroit, Michigan 48201, USA. Methane-oxidizing bacteria (methanotrophs) are extremely attractive from a chemist's perspective because these organisms convert methane

  14. From CO2 to Methanol via Novel Nanocatalysts

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

    researchers have discovered that nanoparticles of cerium oxide (ceria) in contact with copper will form metal-oxide interfaces that allow the adsorption and activation of CO2,...

  15. Novel Materials for High Efficiency Direct Methanol Fuel Cells

    Broader source: Energy.gov [DOE]

    Presented at the Department of Energy Fuel Cell Projects Kickoff Meeting, September 1 – October 1, 2009

  16. From CO2 to Methanol via Novel Nanocatalysts

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

    ... Research funding: Venezuelan Institute of Petroleum Technology (Intevep), Spanish Ministry of Economy and Finance, European Regional Development Fund, and U.S. Department of Energy ...

  17. Novel Approach to Advanced Direct Methanol Fuel Cell Anode Catalysts

    Broader source: Energy.gov [DOE]

    Presented at the Department of Energy Fuel Cell Projects Kickoff Meeting, September 1 – October 1, 2009

  18. Notice of Intent to Issue DOE N 314.1, DOE-Flex: DOE's Telework Program while Developing a Successor Order (5-6-11)

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2011-05-06

    This is to develop DOE N 3XX, which will establish the requirements and responsibilities for the Department's telework/flexiplace program.

  19. Nanostructured self-assembly materials from neat and aqueous solutions of C18 lipid pro-drug analogues of Capecitabine?a chemotherapy agent. Focus on nanoparticulate cubosomes? of the oleyl analogue

    SciTech Connect (OSTI)

    Gong, Xiaojuan; Moghaddam, Minoo J.; Sagnella, Sharon M.; Conn, Charlotte E.; Mulet, Xavier; Danon, Stephen J.; Waddington, Lynne J.; Drummond, Calum J.

    2014-09-24

    A series of prodrug analogues based on the established chemotherapy agent, 5-fluorouracil, have been prepared and characterized. C18 alkyl and alkenyl chains with increasing degree of unsaturation were attached to the N{sup 4} position of the 5-fluorocytosine (5-FC) base via a carbamate bond. Physicochemical characterization of the prodrug analogues was carried out using a combination of differential scanning calorimetry, cross-polarized optical microscopy, X-ray diffraction and small-angle X-ray scattering. The presence of a monounsaturated oleyl chain was found to promote lyotropic liquid crystalline phase formation in excess water with a fluid lamellar phase observed at room temperature and one or more bicontinuous cubic phases at 37 C. The bulk phase was successfully dispersed into liposomes or cubosomes at room and physiological temperature respectively. In vitro toxicity of the nanoparticulate 5-FCOle dispersions was evaluated against several normal and cancer cell types over a 48 h period and exhibited an IC{sub 50} of 100 {micro}M against all cell types. The in vivo efficacy of 5-FCOle cubosomes was assessed against the highly aggressive mouse 4T1 breast cancer model and compared to Capecitabine (a water-soluble commercially available 5-FU prodrug) delivered at the same dosages. After 21 days of treatment, the 0.5 mmol 5-FCOle treatment group exhibited a significantly smaller average tumour volume than all other treatment groups including Capecitabine at similar dosage. These results exemplify the potential of self-assembled amphiphile prodrugs for delivery of bioactives in vivo.

  20. Utilization of Renewable Oxygenates as Gasoline Blending Components

    SciTech Connect (OSTI)

    Yanowitz, J.; Christensen, E.; McCormick, R. L.

    2011-08-01

    This report reviews the use of higher alcohols and several cellulose-derived oxygenates as blend components in gasoline. Material compatibility issues are expected to be less severe for neat higher alcohols than for fuel-grade ethanol. Very little data exist on how blending higher alcohols or other oxygenates with gasoline affects ASTM Standard D4814 properties. Under the Clean Air Act, fuels used in the United States must be 'substantially similar' to fuels used in certification of cars for emission compliance. Waivers for the addition of higher alcohols at concentrations up to 3.7 wt% oxygen have been granted. Limited emission testing on pre-Tier 1 vehicles and research engines suggests that higher alcohols will reduce emissions of CO and organics, while NOx emissions will stay the same or increase. Most oxygenates can be used as octane improvers for standard gasoline stocks. The properties of 2-methyltetrahydrofuran, dimethylfuran, 2-methylfuran, methyl pentanoate and ethyl pentanoate suggest that they may function well as low-concentration blends with gasoline in standard vehicles and in higher concentrations in flex fuel vehicles.

  1. An ecosystem-scale perspective of the net land methanol flux...

    Office of Scientific and Technical Information (OSTI)

    We present field observations made in June 2011 downwind of Dallas-Fort Worth, TX, and evaluate the role of stabilized Criegee radicals (sCIs) in gaseous sulfuric acid (H2SO4) ...

  2. An ecosystem-scale perspective of the net land methanol flux: synthesis of micrometeorological flux measurements

    SciTech Connect (OSTI)

    Wohlfahrt, G.; Amelynck, C.; Ammann, Christof; Arneth, A.; Bamberger, Ines; Goldstein, Allen H.; Gu, Lianhong; Guenther, Alex B.; Hansel, A.; Heinesch, B.; Holst, Thomas; Hortnagl, Lukas; Karl, T.; Laffineur, Q.; Neftel, Albrecht; McKinney, Karena; Munger, William; Pallardy, Stephen G.; Schade, Gunner W.; Seco, Roger; Schoon, N.

    2015-07-09

    We present field observations made in June 2011 downwind of Dallas-Fort Worth, TX, and evaluate the role of stabilized Criegee radicals (sCIs) in gaseous sulfuric acid (H2SO4) production. Zero-dimensional model calculations show that sCI from BVOCs composed the majority of the sCIs. The main uncertainty associated with an evaluation of H2SO4 production from the sCI reaction channel is the lack of experimentally determined reaction rates for sCIs formed from isoprene ozonolysis with SO2. In general, the maximum of H2SO4 production from the sCI channel is found in the late afternoon as ozone increases towards the late afternoon. The sCI channel, however, contributes minor H2SO4 production compared with the conventional OH channel. Finally, The production and the loss rates of H2SO4 are compared. The application of the recommended mass accommodation coefficient causes significant overestimation of H2SO4 loss rates compared with H2SO4 production rates. On the other hand, the application of a lower experimental value for the mass accommodation coefficient provides good agreement between the loss and production rates of H2SO4. The results suggest that the recommended coefficient for the H2O surface may not be suitable for this relatively dry environment.

  3. METHANOL MASER EMISSION FROM GALACTIC CENTER SOURCES WITH EXCESS 4.5 {mu}m EMISSION

    SciTech Connect (OSTI)

    Chambers, E. T.; Yusef-Zadeh, F.; Roberts, D. E-mail: zadeh@northwestern.edu

    2011-05-20

    We present a study of signatures of on-going star formation in a sample of protostellar objects with enhanced 4.5 {mu}m emission ('green' sources) near the Galactic center. To understand how star formation in the Galactic center region compares to that of the Galactic disk, we used the Expanded Very Large Array to observe radiatively excited Class II 6.7 GHz CH{sub 3}OH masers and collisionally excited Class I 44 GHz CH{sub 3}OH masers, both tracers of high-mass star formation, toward a sample of 34 Galactic center and foreground 'green' sources. We find that 33% {+-} 15% of Galactic center sources are coincident with 6.7 GHz masers, and that 44% {+-} 17% of foreground sources are coincident with 6.7 GHz masers. For 44 GHz masers, we find correlation rates of 27% {+-} 13% and 25% {+-} 13% for Galactic center green sources and foreground green sources, respectively. Based on these CH{sub 3}OH maser detection rates, as well as correlations of green sources with other tracers of star formation, such as 24 {mu}m emission and infrared dark clouds (IRDCs), we find no significant difference between the green sources in the Galactic center and those foreground to it. This suggests that once the star formation process has begun, the environmental differences between the Galactic center region and the Galactic disk have little effect on its observational signatures. We do find, however, some evidence that may support a recent episode of star formation in the Galactic center region.

  4. Direct Methanol Fuel Cell Power Supply For All-Day True Wireless Mobile Computing

    SciTech Connect (OSTI)

    Brian Wells

    2008-11-30

    PolyFuel has developed state-of-the-art portable fuel cell technology for the portable computing market. A novel approach to passive water recycling within the MEA has led to significant system simplification and size reduction. Miniature stack technology with very high area utilization and minimalist seals has been developed. A highly integrated balance of plant with very low parasitic losses has been constructed around the new stack design. Demonstration prototype systems integrated with laptop computers have been shown in recent months to leading OEM computer manufacturers. PolyFuel intends to provide this technology to its customers as a reference design as a means of accelerating the commercialization of portable fuel cell technology. The primary goal of the project was to match the energy density of a commercial lithium ion battery for laptop computers. PolyFuel made large strides against this goal and has now demonstrated 270 Wh/liter compared with lithium ion energy densities of 300 Wh/liter. Further, more incremental, improvements in energy density are envisioned with an additional 20-30% gains possible in each of the next two years given further research and development.

  5. A KINETIC S'FUDY OF METHANOL SYNTHESIS IN A SLURRY REACTOR USING

    Office of Scientific and Technical Information (OSTI)

    H2(CO+CO2) ratios, the extent of the reverse water gas shift reaction decreases with ... between experimental meffianol and water production rates with these obtained by ...

  6. Fuel processor for fuel cell power system. [Conversion of methanol into hydrogen

    DOE Patents [OSTI]

    Vanderborgh, N.E.; Springer, T.E.; Huff, J.R.

    1986-01-28

    A catalytic organic fuel processing apparatus, which can be used in a fuel cell power system, contains within a housing a catalyst chamber, a variable speed fan, and a combustion chamber. Vaporized organic fuel is circulated by the fan past the combustion chamber with which it is in indirect heat exchange relationship. The heated vaporized organic fuel enters a catalyst bed where it is converted into a desired product such as hydrogen needed to power the fuel cell. During periods of high demand, air is injected upstream of the combustion chamber and organic fuel injection means to burn with some of the organic fuel on the outside of the combustion chamber, and thus be in direct heat exchange relation with the organic fuel going into the catalyst bed.

  7. Transparent Cost Database | Transparent Cost Database

    Open Energy Info (EERE)

    15 Fuel Cell 15 PHEV 15 Ethanol-Flex Fuel 15 Natural Gas 15 Propane 15 Default 15 Fuel Prices: Diesel 3.540 Electricity 3.866 Ethanol-Flex Fuel 4.600 Gasoline 3.680...

  8. Methanol production from Eucalyptus wood chips. Working document I. The Florida Eucalyptus energy farm: silvicultural methods and considerations

    SciTech Connect (OSTI)

    Fishkind, H.H.

    1982-04-01

    The silvicultural matrix within which the nation's first large scale wood energy plantation will develop is described in detail. The relevant literature reviewed is identified and distilled. The plantation history, site preparation, planting, species selection, maintenance and management, harvesting, and the Eucalyptus biomass production estimates are presented.

  9. CO2 hydrogenation to formate and methanol as an alternative to photo- and electrochemical CO2 reduction

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

    Wang, Wan -Hui; Himeda, Yuichiro; Muckerman, James T.; Manbeck, Gerald F.; Fujita, Etsuko

    2015-09-03

    In this study, carbon dioxide is one of the end products of combustion, and is not a benign component of the atmosphere. The concentration of CO2 in the atmosphere has reached unprecedented levels and continues to increase owing to an escalating rate of fossil fuel combustion, causing concern about climate change and rising sea levels. In view of the inevitable depletion of fossil fuels, a possible solution to this problem is the recycling of carbon dioxide, possibly captured at its point of generation, to fuels. Researchers in this field are using solar energy for CO2 activation and utilization in severalmore » ways: (i) so-called artificial photosynthesis using photo-induced electrons; (ii) bulk electrolysis of a CO2 saturated solution using electricity produced by photovoltaics; (iii) CO2 hydrogenation using solar-produced H2; and (iv) the thermochemical reaction of metal oxides at extremely high temperature reached by solar collectors. Since the thermodynamics of CO2 at high temperature (> 1000 ºC) are quite different from those near room temperature, only chemistry below 200 ºC is discussed in this review.« less

  10. Solvent Extraction of Chemical Attribution Signature Compounds from Painted Wall Board: Final Report

    SciTech Connect (OSTI)

    Wahl, Jon H.; Colburn, Heather A.

    2009-10-29

    This report summarizes work that developed a robust solvent extraction procedure for recovery of chemical attribution signature (CAS) compound dimethyl methyl phosphonate (DMMP) (as well as diethyl methyl phosphonate (DEMP), diethyl methyl phosphonothioate (DEMPT), and diisopropyl methyl phosphonate (DIMP)) from painted wall board (PWB), which was selected previously as the exposed media by the chemical attribution scientific working group (CASWG). An accelerated solvent extraction approach was examined to determine the most effective method of extraction from PWB. Three different solvent systems were examined, which varied in solvent strength and polarity (i.e., 1:1 dichloromethane : acetone,100% methanol, and 1% isopropanol in pentane) with a 1:1 methylene chloride : acetone mixture having the most robust and consistent extraction for four original target organophosphorus compounds. The optimum extraction solvent was determined based on the extraction efficiency of the target analytes from spiked painted wallboard as determined by gas chromatography x gas chromatography mass spectrometry (GCxGC-MS) analysis of the extract. An average extraction efficiency of approximately 60% was obtained for these four compounds. The extraction approach was further demonstrated by extracting and detecting the chemical impurities present in neat DMMP that was vapor-deposited onto painted wallboard tickets.

  11. Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC - FE...

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

    (FLEX II Conditional Order) to Freeport LNG Expansion, L.P., FLNG Liquefaction, LLC, ... PDF icon Order 3357-B - Final Opinion and Order Granting LNG Export Authorization More ...

  12. Demonstrating Optimum HCCI Combustion with Advanced Control Technology...

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

    Publications Control-Oriented Modeling for HCCI Combustion and Multi-Cylinder HCCI Experimental Activities Diesel HCCI Results at Caterpillar Flex Fuel Optimized SI and HCCI Engine

  13. Control-Oriented Modeling for HCCI Combustion and Multi-Cylinder...

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

    More Documents & Publications Detailed Modeling of HCCI and PCCI combustion and Multi-cylinder HCCI Engine Control Flex Fuel Optimized SI and HCCI Engine Expanding Robust HCCI ...

  14. Cylinder Head Gasket with Integrated Combustion Pressure Sensors...

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

    More Documents & Publications Glow Plug Integrated Piezo-Ceramic Combustion Sensor for Diesel Engines Flex Fuel Optimized SI and HCCI Engine Heavy-Duty HCCI Development Activities

  15. CX-010648: Categorical Exclusion Determination | Department of...

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

    Oklahoma Offices(s): National Energy Technology Laboratory Three fuel flex burners will be retrofitted in Shell's Deer Park Plant and will replace existing conventional...

  16. Minco | Open Energy Information

    Open Energy Info (EERE)

    production, supplies Ceradyne with this. Also makes thermofoil heaters, flex circuits, sensors and instruments. Coordinates: 44.979035, -93.264929 Show Map Loading...

  17. UNITED STATES OF AMERICA DEPARTMENT OF ENERGY OFFICE OF FOSSIL...

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

    ... 19 E. Environmental Review FERC is responsible for ensuring ... FLEX states that, when natural gas substitutes for coal or ... public utility districts, and other public agencies. ...

  18. Slide 1

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

    ... Pipe for 10,000-Foot Water Depths DeepFlex 100812 10... VIM Study for Deep Draft Column Stabilized Floaters Houston Offshore Engineering Negotiating 18 mos ...

  19. TransAtlas | Open Energy Information

    Open Energy Info (EERE)

    Alternative Fueling Stations (E85, CNG, Biodiesel and more) Hybrid, Diesel, and Flex-Fuel vehicle densities Biodiesel and Ethanol Production Facilities Congressional Districts...

  20. Centennial, Colorado: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Colorado Ciris Energy Inhibiton Therapeutics Inc ProtoFlex Corp formerly Alpha Optics Inc Tru-Lite References US Census Bureau Incorporated place and minor civil...

  1. E85 Infrastrucutre Development Project

    Broader source: Energy.gov [DOE]

    Burl Haigwood's presentation on the Flex fuel vehicle awareness campaign from the May 12, 2011, Clean Cities and Biomass Program State webinar.

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

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

    three-quarter-inch lenses are aligned with glass lenses to complete the optical design. A piezoelectric actuator electromechanically changes the flex of the lenses, achieving the...

  3. DOE Recognizes Midwest Industrial Efficiency Leaders | Department...

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

    Benlee, Inc. (Romulus, MI) Brose (Chicago, IL) Flex-N-Gate Corporation - MasterGuard (Veedersburg, IN) The Minster Machine Company (Minster, OH) Nease Corporation (Harrison, OH) ...

  4. Evaluation of Ultra Clean Fuels from Natural Gas

    SciTech Connect (OSTI)

    Robert Abbott; Edward Casey; Etop Esen; Douglas Smith; Bruce Burke; Binh Nguyen; Samuel Tam; Paul Worhach; Mahabubul Alam; Juhun Song; James Szybist; Ragini Acharya; Vince Zello; David Morris; Patrick Flynn; Stephen Kirby; Krishan Bhatia; Jeff Gonder; Yun Wang; Wenpeng Liu; Hua Meng; Subramani Velu; Jian-Ping Shen, Weidong Gu; Elise Bickford; Chunshan Song; Chao-Yang Wang; Andre' Boehman

    2006-02-28

    ConocoPhillips, in conjunction with Nexant Inc., Penn State University, and Cummins Engine Co., joined with the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL) in a cooperative agreement to perform a comprehensive study of new ultra clean fuels (UCFs) produced from remote sources of natural gas. The project study consists of three primary tasks: an environmental Life Cycle Assessment (LCA), a Market Study, and a series of Engine Tests to evaluate the potential markets for Ultra Clean Fuels. The overall objective of DOE's Ultra Clean Transportation Fuels Initiative is to develop and deploy technologies that will produce ultra-clean burning transportation fuels for the 21st century from both petroleum and non-petroleum resources. These fuels will: (1) Enable vehicles to comply with future emission requirements; (2) Be compatible with the existing liquid fuels infrastructure; (3) Enable vehicle efficiencies to be significantly increased, with concomitantly reduced CO{sub 2} emissions; (4) Be obtainable from a fossil resource, alone or in combination with other hydrocarbon materials such as refinery wastes, municipal wastes, biomass, and coal; and (5) Be competitive with current petroleum fuels. The objectives of the ConocoPhillips Ultra Clean Fuels Project are to perform a comprehensive life cycle analysis and to conduct a market study on ultra clean fuels of commercial interest produced from natural gas, and, in addition, perform engine tests for Fisher-Tropsch diesel and methanol in neat, blended or special formulations to obtain data on emissions. This resulting data will be used to optimize fuel compositions and engine operation in order to minimize the release of atmospheric pollutants resulting from the fuel combustion. Development and testing of both direct and indirect methanol fuel cells was to be conducted and the optimum properties of a suitable fuel-grade methanol was to be defined. The results of the study are also applicable to coal-derived FT liquid fuels. After different gas clean up processes steps, the coal-derived syngas will produce FT liquid fuels that have similar properties to natural gas derived FT liquids.

  5. Method of removing polychlorinated biphenyl from oil

    DOE Patents [OSTI]

    Cook, G.T.; Holshouser, S.K.; Coleman, R.M.; Harless, C.E.; Whinnery, W.N. III

    1982-03-17

    Polychlorinated biphenyls are removed from oil by extracting the biphenyls into methanol. The mixture of methanol and extracted biphenyls is distilled to separate methanol therefrom, and the methanol is recycled for further use in extraction of biphenyls from oil.

  6. Method of removing polychlorinated biphenyl from oil

    DOE Patents [OSTI]

    Cook, Gus T. (Paducah, KY); Holshouser, Stephen K. (Boaz, KY); Coleman, Richard M. (Paducah, KY); Harless, Charles E. (Smithland, KY); Whinnery, III, Walter N. (Paducah, KY)

    1983-01-01

    Polychlorinated biphenyls are removed from oil by extracting the biphenyls into methanol. The mixture of methanol and extracted biphenyls is distilled to separate methanol therefrom, and the methanol is recycled for further use in extraction of biphenyls from oil.

  7. Polyethylene/Boron Composites for Radiation Shielding Applications

    SciTech Connect (OSTI)

    Harrison, Courtney; Grulke, Eric; Burgett, Eric; Hertel, Nolan

    2008-01-21

    Multifunctional composites made with boron are absorbers of low energy nuetrons, and could be used for structural shielding materials. Polyethylene/boron carbide composites were fabricated using conventional polymer processing techniques, and were evaluated for mechanical and radiation shielding properties. Addition of neat boron carbide (powder and nanoparticles) to an injection molding grade HPDE showed superior mechanical properties compared to neat HDPE. Radiation shielding measurements of a 2 wt% boron carbide composite were improved over those of the neat polyethylene.

  8. Property:NEPA Resource Applicant Mitigation | Open Energy Information

    Open Energy Info (EERE)

    *Construction areas will be maintained in a neat and orderly manner, free of trash and debris. *Construct structures of weathering steel (compared to galvanized steel...

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

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

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

  10. Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}

    SciTech Connect (OSTI)

    Coudert, L. H.; Zemouli, M.; Motiyenko, R. A.; Marguls, L.; Klee, S.

    2014-02-14

    The first theoretical approach aimed at accounting for the energy levels of a non-rigid molecule displaying asymmetric-top asymmetric-frame internal rotation is developed. It is applied to a line position analysis of the high-resolution spectrum of the non-rigid CH{sub 2}DOH molecule and allows us to carry out a global analysis of a data set consisting of already available data and of microwave and far infrared transitions measured in this work. The analysis is restricted to the three lowest lying torsional levels (e{sub 0}, e{sub 1}, and o{sub 1}), to K ? 11, and to J ? 26. For the 8211 fitted lines, the unitless standard deviation is 2.4 and 103 parameters are determined including kinetic energy, hindering potential, and distortion effects parameters.

  11. CO2 hydrogenation to formate and methanol as an alternative to photo- and electrochemical CO2 reduction

    SciTech Connect (OSTI)

    Wang, Wan -Hui; Himeda, Yuichiro; Muckerman, James T.; Manbeck, Gerald F.; Fujita, Etsuko

    2015-09-03

    In this study, carbon dioxide is one of the end products of combustion, and is not a benign component of the atmosphere. The concentration of CO2 in the atmosphere has reached unprecedented levels and continues to increase owing to an escalating rate of fossil fuel combustion, causing concern about climate change and rising sea levels. In view of the inevitable depletion of fossil fuels, a possible solution to this problem is the recycling of carbon dioxide, possibly captured at its point of generation, to fuels. Researchers in this field are using solar energy for CO2 activation and utilization in several ways: (i) so-called artificial photosynthesis using photo-induced electrons; (ii) bulk electrolysis of a CO2 saturated solution using electricity produced by photovoltaics; (iii) CO2 hydrogenation using solar-produced H2; and (iv) the thermochemical reaction of metal oxides at extremely high temperature reached by solar collectors. Since the thermodynamics of CO2 at high temperature (> 1000 ºC) are quite different from those near room temperature, only chemistry below 200 ºC is discussed in this review.

  12. Probing the Early Stages of Solvation of cis-Pinate Dianions by Water, Acetonitrile, and Methanol: A Photoelectron Spectroscopy and Theoretical Study

    SciTech Connect (OSTI)

    Hou, Gao-Lei; Kong, Xiang-Tao; Valiev, Marat; Jiang, Ling; Wang, Xue B.

    2016-01-01

    Cis-pinic acid is one of the most important oxidation products of α-pinene – a key monoterpene compound in biogenic emission processes affecting the atmosphere. Molecular level understanding of interactions involved in the cluster formations around cis-pinic acid is an important and necessary prerequisite toward ascertaining its role in the aerosol formation processes. In this work, we studied the structures and energetics of the solvated clusters of cis-pinate (cis-PA²⁻), the doubly deprotonated dicarboxylate of cis-pinic acid, with H₂O, CH₃OH, and CH₃CN by negative ion photoelectron spectroscopy and ab initio theoretical calculations. We found that cis-PA²⁻ prefers being solvated alternately on the two -CO₂⁻ groups with increase of solvent coverage, a well-known solvation pattern that has been observed in microhydrated linear dicarboxylate dianion (DCn²⁻) clusters. Experiments and calculations further reveal an intriguing feature for the existence of the asymmetric type isomers for cis-PA2–(H2O)2 and cis-PA²⁻(CH₃OH)₂, in which both solvent molecules interact with only one of the -CO²⁻ groups – a phenomena that has not been observed in DCn²⁻ water clusters and exhibits the subtle effect of the rigid four-membered carbon ring brought in on the cis-PA²⁻ solvation. The dominant interactions between cis-PA²⁻ and solvent molecules are forming bidentate O–···H–O H-bonds for H₂O, O–···H–O and O–···H–C H-bonds for CH₃OH, and tridentate O–···H–C H-bonds for CH₃CN. The formation of inter-solvent H-bonds between H₂O and CH₃CN is found to be favorable in mixed solvent clusters, distinctly different from that between H₂O and CH₃OH. These findings have important implications for understanding the mechanism of cluster growth and nucleation of atmospheric organic aerosols and the nature of structure-function relationship of proteins containing carboxylate groups under various solvent environments.

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

    SciTech Connect (OSTI)

    Lee, JS; Hillesheim, PC; Huang, DK; Lively, RP; Oh, KH; Dai, S; Koros, WJ

    2012-11-30

    A proof of concept study for a new type of carbon capture system is considered for post-combustion CO2 capture based on porous hollow fiber sorbents with ionic liquids sorbed in the cell walls of the fiber. This study proves that delicate morphological features in the open-celled porous wall can be maintained during the infusion process. Mixtures of task specific ionic liquid (i.e. [BMIM][Tf2N]) and superbase (i.e. DBU) were loaded into polyamide-imide (PAI) fibers by a so-called two-step non-solvent infusion protocol. In the protocol, methanol carries ionic liquids into the pore cell walls of hollow fibers and then hexane carries superbase to create an efficient CO2 sorbent. Our ionic liquid/superbase impregnation technique overcomes a serious increase in mass transfer resistance upon reaction with CO2, thereby allowing its large scale utilization for post-combustion CO2 capture. The investigation on the effect of different pore former additives (different molecular weights of polyvinylpyrrolidone, lithium nitrate, and their mixtures) suggested that a large molecular weight of PVP (M-w; 1300k) including dope composition produces highly interconnected open cell pore structures of PAI hollow fibers. Lastly, a lumen side barrier layer was successfully formed on the bore side of neat PAI fibers by using a mixture of Neoprene (R) with crosslinking agents (TSR-633) via a post-treatment process. The lumen layer will enable heat removal from the fiber sorbents during their application in rapid thermal swing cycling processes. (C) 2012 Elsevier Ltd. All rights reserved.

  14. CM300DLFinal.doc

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

    CM300 Core Status: new users must complete 2 trouble-free training sessions, pass the Core driver's test and execute a sample exchange exam to to work independently during Core sessions. Flex Status: core users must complete 5 trouble-free sessions and pass the FLEX driver's test to work during Flex sessions. To reserve a CM300 session, go to www/ncem.lbl.gov, click on "Microscope Scheduling", use proposal number and password to log in. You may only sign up for 2 sessions per month,

  15. 3010DLFinal.doc

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

    0 Core Status: new users must complete 2 trouble-free training sessions and pass a sample exchange exam to work independently during Core sessions. Flex Status: core users must complete 4 "trouble-free" sessions and pass a driving test to work independently during Flex sessions To reserve a 3010 session, go to www/ncem.lbl.gov, click on "Microscope Scheduling", use proposal number and password to log in. You may only sign up for 2 Core sessions and 1 Flex session at a time.

  16. Freeport LNG Terminal | Department of Energy

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

    Freeport LNG Terminal Freeport LNG Terminal Freeport LNG Terminal Long-Term Contract Information and Registrations at U.S. LNG Export Facilities Filing Date Type (1) Description 09/04/12 R Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC ("FLEX") 09/04/12 R Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC ("FLEX") 04/12/13 C (LNG) Long-term Contracts Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC ("FLEX") 10/25/13 C (LNG) Long-term Contracts

  17. Direct Visualization of Spray and Combustion Inside a DI-SI Engine and Its

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

    Implications to Flex-Fuel VVT Operations | Department of Energy Visualization of Spray and Combustion Inside a DI-SI Engine and Its Implications to Flex-Fuel VVT Operations Direct Visualization of Spray and Combustion Inside a DI-SI Engine and Its Implications to Flex-Fuel VVT Operations Fuel, injection timing, and valve deactivation in a DI optical accessible engine with side-mounted, multi-hole injector are investigated using CFD and high-speed imaging of sprays and combustion. PDF icon

  18. Team Florida Takes "Sunshine State" Moniker Seriously | Department of

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

    Energy Florida Takes "Sunshine State" Moniker Seriously Team Florida Takes "Sunshine State" Moniker Seriously July 7, 2011 - 5:47pm Addthis Team Florida's design model of the FLeX House | Courtesy of the Solar Decathlon's Flickr photostream Team Florida's design model of the FLeX House | Courtesy of the Solar Decathlon's Flickr photostream April Saylor April Saylor Former Digital Outreach Strategist, Office of Public Affairs What are the key facts? The FleX House combines

  19. CX-008272: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Deployment of Flex Combined Heat and Power System CX(s) Applied: B3.6 Date: 05/11/2012 Location(s): California Offices(s): National Energy Technology Laboratory

  20. Category:Energy Efficiency Organizations | Open Energy Information

    Open Energy Info (EERE)

    Renewable Energy Ltd. Sunreps TIAX LLC Tate & Lyle Tesla Motors Tetra Tech, Inc. The Hydrogen Company Trellis Earth Trilliant Networks Tru-Lite United Energy UtiliFlex VanDyne...

  1. Direct Visualization of Spray and Combustion Inside a DI-SI Engine...

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

    Visualization of Spray and Combustion Inside a DI-SI Engine and Its Implications to Flex-Fuel VVT Operations Direct Visualization of Spray and Combustion Inside a DI-SI Engine and ...

  2. Waveberg Development Ltd | Open Energy Information

    Open Energy Info (EERE)

    connected floats that flex as the waves pass under them, using this bending motion to pump seawater. References: Waveberg Development Ltd1 This article is a stub. You can help...

  3. Transonic Combustion Inc | Open Energy Information

    Open Energy Info (EERE)

    focused on developing ultra-high efficiency automotive engines that run on gasoline and bio-renewable flex fuels. References: Transonic Combustion, Inc.1 This article is a stub....

  4. Flexible CHP System with Low NOx, CO and VOC Emissions

    SciTech Connect (OSTI)

    2010-10-01

    This factsheet describes a project that will develop a FlexCHP-65 system that incorporates new burner technology into a 65 kW microturbine and 100 HP heat recovery boiler.

  5. Slide 1

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

    of our models E85 capable by 2012 * Future FFVs include Direct-Injected and Turbocharged Engines, Extended-range electric vehicle with flex-fuel capability 7 Infrastructure:...

  6. Arapahoe County, Colorado: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Inc New West Technologies LLC PV Solar Planet ProLogis ProtoFlex Corp formerly Alpha Optics Inc RFC Sand Creek Development LLC Simplicity Energy Farms Inc Tru-Lite Versa Power...

  7. Texas's 31st congressional district: Energy Resources | Open...

    Open Energy Info (EERE)

    You can help OpenEI by expanding it. This page represents a congressional district in Texas. Registered Energy Companies in Texas's 31st congressional district EEStor Global Flex...

  8. 2011 Biomass Program Platform Peer Review: Infrastructure

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

    ... I would like to see more data on consumption and better performance measures for the Program. If all new vehicles were flex-fuel vehicles and all pumps were blender pumps, the ...

  9. Final Report, Validation of Novel Planar Cell Design for MW-Scale SOFC Power Systems

    SciTech Connect (OSTI)

    Swartz, Dr Scott L.; Thrun, Dr Lora B.; Arkenberg, Mr Gene B.; Chenault, Ms Kellie M.

    2012-01-03

    This report describes the work completed by NexTech Materials, Ltd. during a three-year project to validate an electrolyte-supported planar solid oxide fuel cell design, termed the FlexCell, for coal-based, megawatt-scale power generation systems. This project was focused on the fabrication and testing of electrolyte-supported FlexCells with yttria-stabilized zirconia (YSZ) as the electrolyte material. YSZ based FlexCells were made with sizes ranging from 100 to 500 cm2. Single-cell testing was performed to confirm high electrochemical performance, both with diluted hydrogen and simulated coal gas as fuels. Finite element analysis modeling was performed at The Ohio State University was performed to establish FlexCell architectures with optimum mechanical robustness. A manufacturing cost analysis was completed, which confirmed that manufacturing costs of less than $50/kW are achievable at high volumes (500 MW/year).

  10. Validation of Novel Planar Cell Design for MW-Scale SOFC Power Systems

    SciTech Connect (OSTI)

    Scott Swartz; Lora Thrun; Gene Arkenberg; Kellie Chenault

    2011-09-30

    This report describes the work completed by NexTech Materials, Ltd. during a three-year project to validate an electrolyte-supported planar solid oxide fuel cell design, termed the FlexCell, for coal-based, megawatt-scale power generation systems. This project was focused on the fabrication and testing of electrolyte-supported FlexCells with yttria-stabilized zirconia (YSZ) as the electrolyte material. YSZ based FlexCells were made with sizes ranging from 100 to 500 cm{sup 2}. Single-cell testing was performed to confirm high electrochemical performance, both with diluted hydrogen and simulated coal gas as fuels. Finite element analysis modeling was performed at The Ohio State University was performed to establish FlexCell architectures with optimum mechanical robustness. A manufacturing cost analysis was completed, which confirmed that manufacturing costs of less than $50/kW are achievable at high volumes (500 MW/year). DISCLAIMER

  11. FIBDLFinal.doc

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

    FIB CORE STATUS: new users must complete 2 trouble-free training sessions and pass the Core driver's test to work independently during Core sessions. FLEX STATUS: core users must...

  12. CM200DL-Final.doc

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

    Core Status: new users must complete 2 trouble free training sessions and pass the drivers test to work independently during Core sessions. Flex Status: core users must complete 5...

  13. LibraDLFinal.doc

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

    Libra Core Status: New users must complete 2 trouble-free sessions and pass the drivers test to work independently during Core sessions. Flex Status: Core users must complete 5...

  14. TecnaiDLFinal.doc

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

    Tecnai Core Status: new users must complete 2 trouble-free training sessions , execute a sample exchange and pass the drivers test to work independently during Core sessions. Flex...

  15. JV Task 112-Optimal Ethanol Blend-Level Investigation

    SciTech Connect (OSTI)

    Richard Shockey; Ted Aulich; Bruce Jones; Gary Mead; Paul Steevens

    2008-01-31

    Highway Fuel Economy Test (HWFET) and Federal Test Procedure 75 (FTP-75) tests were conducted on four 2007 model vehicles; a Chevrolet Impala flex-fuel and three non-flex-fuel vehicles: a Ford Fusion, a Toyota Camry, and a Chevrolet Impala. This investigation utilized a range of undenatured ethanol/Tier II gasoline blend levels from 0% to 85%. HWFET testing on ethanol blend levels of E20 in the flex fuel Chevrolet Impala and E30 in the non-flex-fuel Ford Fusion and Toyota Camry resulted in miles-per-gallon (mpg) fuel economy greater than Tier 2 gasoline, while E40 in the non-flex-fuel Chevrolet Impala resulted in an optimum mpg based on per-gallon fuel Btu content. Exhaust emission values for non-methane organic gases (NMOG), carbon monoxide (CO), and nitrogen oxides (NO{sub x}) obtained from both the FTP-75 and the HWFET driving cycles were at or below EPA Tier II, Light-Duty Vehicles, Bin 5 levels for all vehicles tested with one exception. The flex-fuel Chevrolet Impala exceeded the NMOG standard for the FTP-75 on E-20 and Tier II gasoline.

  16. Zelenay named Electrochemical Society Fellow

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

    including non-precious metalprecious metal electrocatalysis of oxygen reduction and methanol and dimethyl ether oxidation; hydrogen, direct methanol, and direct dimethyl ether...

  17. National Energy Audit

    Energy Science and Technology Software Center (OSTI)

    2001-12-30

    A user-friendly, advanced computer energy audit, the National Energy Audit (NEAT) has been developed by the Existing Buildings Research Program at Oak Ridge National Laboratory''s (ORNL''s) Building Technology Center for the U.S. Department of Energy''s (DOE''s) Weatherization Assistance and Existing Buildings Program. The computer program is designed for use by State agencies and utilities to determine the most cost-effective retrofit measures for single-family homes to increase the energy efficiency and comfort level. NEAT7.1.3 contains minormore » changes and improvements in NEAT7.1.« less

  18. Analysis of Coconut-Derived Biodiesel and Conventional Diesel Fuel Samples from the Philippines: Task 2 Final Report

    SciTech Connect (OSTI)

    Alleman, T. L.; McCormick, R. L.

    2006-01-01

    NREL tested Philippines coconut biodiesel samples of neat and blended fuels. Results show that the current fuel quality standards were met with very few exceptions. Additional testing is recommended.

  19. Blog | Department of Energy

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

    send them to our Stay Cool, Save Money campaign. June 23, 2011 Energy Efficiency and Fitness - A Complementary Pair Ever heard of Non-exercise activity thermogenesis, or NEAT?...

  20. ATHENA desktop human "body" reduces need for animal drug tests

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

    ATHENA, the Desktop Human "Body" Each organ component will be about the size of a smartphone screen, and the whole ATHENA "body" of interconnected organs would fit neatly on a...

  1. Anant Vyas | Argonne National Laboratory

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

    Photo of Anant Vyas Anant Vyas Energy Information Systems Engineer E-mail avyas@anl.gov Projects NEAT: Non-Light Duty Energy and GHG Emissions Accounting Tool...

  2. A.J. Herrera

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

    neat," Herrera notes, "to see the parents and siblings of players help Natalia take care of our kids during practice or a game. There's usually at least one eight- or...

  3. Ionic Liquids as Novel Engine Lubricants or Lubricant Additives

    Broader source: Energy.gov [DOE]

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

  4. Surface damage behavior during scratch deformation of mineral reinforced polymer composites

    SciTech Connect (OSTI)

    Misra, R.D.K.; Hadal, R.; Duncan, S.J

    2004-08-16

    The surface damage behavior during scratch deformation of neat and wollastonite reinforced ethylene-propylene and polypropylene polymeric materials with significant differences in ductility was studied using electron microscopy in association with scratch deformation parameters and local crystallinity characteristics obtained from atomic force microscopy. Under identical conditions of scratch tests, the decrease in resistance to scratch damage and stress whitening of polymeric materials followed the sequence: wollastonite-reinforced polypropylene (PP-W) congruent with wollastonite-reinforced ethylene-propylene (EP-W) > neat polypropylene (PP) > neat ethylene-propylene copolymer (EP). The improved resistance to scratch damage of mineral reinforced polymeric materials is attributed to the effective reinforcement by micrometer-sized wollastonite particles that increase the tensile modulus of the polymeric materials and restrict plastic deformation of the polymer matrix. Scratching of neat and wollastonite-containing EP copolymers involved periodic parabolic scratch tracks containing voids, which transformed to distinct zig-zag scratch tracks on reinforcement with micrometric wollastonite particles. The enhanced plastic flow in neat EP is facilitated by high ductility of the material and ability to nucleate voids, while in EP-W the plastic flow is suppressed because of reinforcement effect of wollastonite. On the other hand, zig-zag periodic scratch tracks were observed in both neat PP and PP-W, but the scratch tracks were not clearly discernible on reinforcement of PP with wollastonite. The resistance to scratch deformation is discussed in terms of tensile modulus, elastic recovery, scratch hardness, and reinforcement-matrix interaction.

  5. Functionalization/passivation of porous graphitic carbon with di-tert-amylperoxide

    SciTech Connect (OSTI)

    Jensen, David S.; Gupta, Vipul; Olsen, Rebecca E.; Miller, Alex T.; Davis, Robert C.; Ess, Daniel; Zhu, Zihua; Vail, Michael A.; Dadson, Andrew; Linford, Matthew R.

    2011-11-18

    Porous graphitic carbon (PGC) particles were functionalized/passivated in situ in packed beds at elevated temperature with neat di-tert-amylperoxide (DTAP) in a column oven. The performance of these particles for high performance liquid chromatography (HPLC) was assayed before and after this chemistry with the following analytes: benzene, toluene, ethyl benzene, n-propyl benzene, n-butyl benzene, p-xylene, phenol, 4-methylphenol, phenetole, 3,5-xylenol, and anisole. After the first functionalization/passivation, the retention factors, k, of these compounds decreased by about 5% and the number of theoretical plates (N) increased by ca. 15%. These values of k then remained roughly constant after a second functionalization/ passivation but a further increase in N was noticed. In addition, after each of the reactions, the peak asymmetries decreased by ca. 15%, for a total of ca. 30%. The columns were then subjected twice to methanol at 100 C for 5 h at 1 mL/min. After these stability tests, the values of k remained roughly constant, the number of plates increased, which is favorable, and the asymmetries rose and then declined, where they remained below the initial values for the unfunctionalized columns. Functionalized and unfunctionalized particles were characterized by scanning electron microscopy and BET measurements, which showed no difference between the functionalized and unfunctionalized materials, and X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry (ToF-SIMS), where ToF-SIMS suggested some chemical differences between the functionalized and unfunctionalized materials. In particular ToF-SIMS suggested that the expected five-carbon fragments from DTAP exist at higher concentrations on DTAP-functionalized PGC. First principle calculations on model graphitic surfaces suggest that the first addition of a DTAP radical to the surface proceeds in an approximately isothermal or slightly favorable fashion, but that subsequent DTAP additions are then increasingly thermodynamically favorable. Thus, this analysis suggests that the direct functionalization/passivation of PGC with DTAP is plausible. Chemometric analyses of the chromatographic and ToF-SIMS data are also presented.

  6. Reaction dynamics and photochemistry of divalent systems. [Reaction of Ba with NO sub 2 , H sub 2 O, methanol, ClO sub 2 , O sub 3; photodissociation of NO sub 3 radical and OClO

    SciTech Connect (OSTI)

    Davis, H.F.

    1992-05-01

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

  7. HIGHLY DEPLETED ETHANE AND MILDLY DEPLETED METHANOL IN COMET 21P/GIACOBINI-ZINNER: APPLICATION OF A NEW EMPIRICAL {nu}{sub 2}-BAND MODEL FOR CH{sub 3}OH NEAR 50 K

    SciTech Connect (OSTI)

    DiSanti, M. A.; Bonev, B. P.; Villanueva, G. L.; Mumma, M. J.

    2013-01-20

    We obtained infrared spectra of Comet 21P/Giacobini-Zinner (hereafter 21P/GZ) using NIRSPEC at Keck II on UT 2005 June 3, approximately one month before perihelion, that simultaneously sampled H{sub 2}O, C{sub 2}H{sub 6}, and CH{sub 3}OH. Our production rate for H{sub 2}O (3.885 {+-} 0.074 Multiplication-Sign 10{sup 28} molecules s{sup -1}) was consistent with that measured during other apparitions of 21P/GZ as retrieved from optical, infrared, and radio observations. Our analysis also provided values for rotational temperature (T {sub rot} = 51 {+-} 3 K) and the abundance ratio of ortho and para spin populations for water (OPR = 2.99 {+-} 0.23, implying a spin temperature exceeding 50 K). Six Q-branches in the {nu}{sub 7} band of C{sub 2}H{sub 6} provided a production rate (5.27 {+-} 0.90 Multiplication-Sign 10{sup 25} s{sup -1}) that corresponded to an abundance ratio of 0.136 {+-} 0.023 Multiplication-Sign 10{sup -2} relative to H{sub 2}O, confirming the previously reported strong depletion of C{sub 2}H{sub 6} from IR observations during the 1998 apparition, and in qualitative agreement with the depletion of C{sub 2} known from optical studies of 21P/GZ. For CH{sub 3}OH, we applied our recently published quantum model for the {nu}{sub 3} band to obtain a rotational temperature (48{sup +10}/{sub -7} K) consistent with that obtained for H{sub 2}O. In addition, we developed a new empirical model for the CH{sub 3}OH {nu}{sub 2} band, based on observations of Comet 8P/Tuttle with NIRSPEC. The application of our {nu}{sub 2} model to 21P/GZ yielded a production rate in agreement with that obtained from the {nu}{sub 3} band. Combining results from both {nu}{sub 2} and {nu}{sub 3} bands provided a production rate (47.5 {+-} 4.4 Multiplication-Sign 10{sup 25} s{sup -1}) that corresponded to an abundance ratio of 1.22 {+-} 0.11 Multiplication-Sign 10{sup -2} relative to H{sub 2}O in 21P/GZ, indicating mild depletion of CH{sub 3}OH. Together with observations of 21P/GZ in 1998, our study provides a measure of primary volatile production rates for this Jupiter family comet over multiple apparitions using high-resolution IR spectroscopy.

  8. Differential Function of Lip Residues in the Mechanism and Biology of an Anthrax Hemophore

    SciTech Connect (OSTI)

    Ekworomadu, MarCia T.; Poor, Catherine B.; Owens, Cedric P.; Balderas, Miriam A.; Fabian, Marian; Olson, John S.; Murphy, Frank; Balkabasi, Erol; Honsa, Erin S.; He, Chuan; Goulding, Celia W.; Maresso, Anthony W.

    2014-10-02

    To replicate in mammalian hosts, bacterial pathogens must acquire iron. The majority of iron is coordinated to the protoporphyrin ring of heme, which is further bound to hemoglobin. Pathogenic bacteria utilize secreted hemophores to acquire heme from heme sources such as hemoglobin. Bacillus anthracis, the causative agent of anthrax disease, secretes two hemophores, IsdX1 and IsdX2, to acquire heme from host hemoglobin and enhance bacterial replication in iron-starved environments. Both proteins contain NEAr-iron Transporter (NEAT) domains, a conserved protein module that functions in heme acquisition in Gram-positive pathogens. Here, we report the structure of IsdX1, the first of a Gram-positive hemophore, with and without bound heme. Overall, IsdX1 forms an immunoglobin-like fold that contains, similar to other NEAT proteins, a 3{sub 10}-helix near the heme-binding site. Because the mechanistic function of this helix in NEAT proteins is not yet defined, we focused on the contribution of this region to hemophore and NEAT protein activity, both biochemically and biologically in cultured cells. Site-directed mutagenesis of amino acids in and adjacent to the helix identified residues important for heme and hemoglobin association, with some mutations affecting both properties and other mutations affecting only heme stabilization. IsdX1 with mutations that reduced the ability to associate with hemoglobin and bind heme failed to restore the growth of a hemophore-deficient strain of B. anthracis on hemoglobin as the sole iron source. These data indicate that not only is the 3{sub 10}-helix important for NEAT protein biology, but also that the processes of hemoglobin and heme binding can be both separate as well as coupled, the latter function being necessary for maximal heme-scavenging activity. These studies enhance our understanding of NEAT domain and hemophore function and set the stage for structure-based inhibitor design to block NEAT domain interaction with upstream ligands.

  9. ARP/wARP and molecular replacement: the next generation

    SciTech Connect (OSTI)

    Cohen, Serge X. Ben Jelloul, Marouane; Long, Fei; Vagin, Alexei; Knipscheer, Puck; Lebbink, Joyce; Sixma, Titia K.; Lamzin, Victor S.; Murshudov, Garib N.; Perrakis, Anastassis

    2008-01-01

    A systematic test shows how ARP/wARP deals with automated model building for structures that have been solved by molecular replacement. A description of protocols in the flex-wARP control system and studies of two specific cases are also presented. Automatic iterative model (re-)building, as implemented in ARP/wARP and its new control system flex-wARP, is particularly well suited to follow structure solution by molecular replacement. More than 100 molecular-replacement solutions automatically solved by the BALBES software were submitted to three standard protocols in flex-wARP and the results were compared with final models from the PDB. Standard metrics were gathered in a systematic way and enabled the drawing of statistical conclusions on the advantages of each protocol. Based on this analysis, an empirical estimator was proposed that predicts how good the final model produced by flex-wARP is likely to be based on the experimental data and the quality of the molecular-replacement solution. To introduce the differences between the three flex-wARP protocols (keeping the complete search model, converting it to atomic coordinates but ignoring atom identities or using the electron-density map calculated from the molecular-replacement solution), two examples are also discussed in detail, focusing on the evolution of the models during iterative rebuilding. This highlights the diversity of paths that the flex-wARP control system can employ to reach a nearly complete and accurate model while actually starting from the same initial information.

  10. Stretchable form of single crystal silicon for high performance electronics on rubber substrates

    DOE Patents [OSTI]

    Rogers, John A.; Khang, Dahl -Young; Sun, Yugang; Menard, Etienne

    2015-08-11

    The present invention provides stretchable, and optionally printable, semiconductors and electronic circuits capable of providing good performance when stretched, compressed, flexed or otherwise deformed. Stretchable semiconductors and electronic circuits of the present invention preferred for some applications are flexible, in addition to being stretchable, and thus are capable of significant elongation, flexing, bending or other deformation along one or more axes. Further, stretchable semiconductors and electronic circuits of the present invention may be adapted to a wide range of device configurations to provide fully flexible electronic and optoelectronic devices.

  11. Stretchable form of single crystal silicon for high performance electronics on rubber substrates

    SciTech Connect (OSTI)

    Rogers, John A.; Khang, Dahl-Young; Sun, Yugang; Menard, Etienne

    2014-06-17

    The present invention provides stretchable, and optionally printable, semiconductors and electronic circuits capable of providing good performance when stretched, compressed, flexed or otherwise deformed. Stretchable semiconductors and electronic circuits of the present invention preferred for some applications are flexible, in addition to being stretchable, and thus are capable of significant elongation, flexing, bending or other deformation along one or more axes. Further, stretchable semiconductors and electronic circuits of the present invention may be adapted to a wide range of device configurations to provide fully flexible electronic and optoelectronic devices.

  12. Stretchable form of single crystal silicon for high performance electronics on rubber substrates

    DOE Patents [OSTI]

    University of Illinois (Urbana, IL)

    2009-04-21

    The present invention provides stretchable, and optionally printable, semiconductors and electronic circuits capable of providing good performance when stretched, compressed, flexed or otherwise deformed. Stretchable semiconductors and electronic circuits of the present invention preferred for some applications are flexible, in addition to being stretchable, and thus are capable of significant elongation, flexing, bending or other deformation along one or more axes. Further, stretchable semiconductors and electronic circuits of the present invention may be adapted to a wide range of device configurations to provide fully flexible electronic and optoelectronic devices.

  13. Controlled buckling structures in semiconductor interconnects and nanomembranes for stretchable electronics

    DOE Patents [OSTI]

    Rogers, John A. (Champaign, IL); Meitl, Matthew (Raleigh, NC); Sun, Yugang (Naperville, IL); Ko, Heung Cho (Urbana, IL); Carlson, Andrew (Urbana, IL); Choi, Won Mook (Champaign, IL); Stoykovich, Mark (Dover, NH); Jiang, Hanqing (Urbana, IL); Huang, Yonggang (Glencoe, IL); Nuzzo, Ralph G. (Champaign, IL); Lee, Keon Jae (Tokyo, JP); Zhu, Zhengtao (Rapid City, SD); Menard, Etienne (Durham, NC); Khang, Dahl-Young (Seoul, KR); Kan, Seong Jun (Daejeon, KR); Ahn, Jong Hyun (Suwon, KR); Kim, Hoon-sik (Champaign, IL)

    2012-07-10

    In an aspect, the present invention provides stretchable, and optionally printable, components such as semiconductors and electronic circuits capable of providing good performance when stretched, compressed, flexed or otherwise deformed, and related methods of making or tuning such stretchable components. Stretchable semiconductors and electronic circuits preferred for some applications are flexible, in addition to being stretchable, and thus are capable of significant elongation, flexing, bending or other deformation along one or more axes. Further, stretchable semiconductors and electronic circuits of the present invention are adapted to a wide range of device configurations to provide fully flexible electronic and optoelectronic devices.

  14. Controlled buckling structures in semiconductor interconnects and nanomembranes for stretchable electronics

    DOE Patents [OSTI]

    Rogers, John A; Meitl, Matthew; Sun, Yugang; Ko, Heung Cho; Carlson, Andrew; Choi, Won Mook; Stoykovich, Mark; Jiang, Hanqing; Huang, Yonggang; Nuzzo, Ralph G; Zhu, Zhengtao; Menard, Etienne; Khang, Dahl-Young

    2014-05-20

    In an aspect, the present invention provides stretchable, and optionally printable, components such as semiconductors and electronic circuits capable of providing good performance when stretched, compressed, flexed or otherwise deformed, and related methods of making or tuning such stretchable components. Stretchable semiconductors and electronic circuits preferred for some applications are flexible, in addition to being stretchable, and thus are capable of significant elongation, flexing, bending or other deformation along one or more axes. Further, stretchable semiconductors and electronic circuits of the present invention are adapted to a wide range of device configurations to provide fully flexible electronic and optoelectronic devices.

  15. Stretchable form of single crystal silicon for high performance electronics on rubber substrates

    DOE Patents [OSTI]

    Rogers, John A. (Champaign, IL); Khang, Dahl-Young (Seoul, KR); Sun, Yugang (Naperville, IL); Menard, Etienne (Durham, NC)

    2012-06-12

    The present invention provides stretchable, and optionally printable, semiconductors and electronic circuits capable of providing good performance when stretched, compressed, flexed or otherwise deformed. Stretchable semiconductors and electronic circuits of the present invention preferred for some applications are flexible, in addition to being stretchable, and thus are capable of significant elongation, flexing, bending or other deformation along one or more axes. Further, stretchable semiconductors and electronic circuits of the present invention may be adapted to a wide range of device configurations to provide fully flexible electronic and optoelectronic devices.

  16. Brazil's biofuels scenario

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

    LIVRO VERDE DO ETANOL LIVRO VERDE DO ETANOL Brazil's biofuels scenario: What are the main drivers which will shape investments in the long term? Artur Yabe Milanez Manager BNDES Biofuels Department LIVRO VERDE DO ETANOL LIVRO VERDE DO ETANOL 0 1 2 3 4 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 ETANOL FLEX FUEL GASOLINA Growing fuel market In 2013, more than 3 million flex fuel vehicles were sold, which now represents more than 60% of Brazilian car fleet. million of cars

  17. Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC - FE Dkt. No.

    Office of Environmental Management (EM)

    11-161-LNG | Department of Energy 1-161-LNG Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC - FE Dkt. No. 11-161-LNG On November 15, 2013, the Office of Fossil Energy of the Department of Energy (DOE/FE) issued Order No. 3357 (FLEX II Conditional Order) to Freeport LNG Expansion, L.P., FLNG Liquefaction, LLC, FLNG Liquefaction 2, LLC, and FLNG Liquefaction 3, LLC (collectively, FLEX) pursuant to section 3(a) of the Natural Gas Act (NGA). As discussed in the PDF below, DOE/FE

  18. Emissions from ethanol and LPG fueled vehicles

    SciTech Connect (OSTI)

    Pitstick, M.E.

    1992-01-01

    This paper addresses the environmental concerns of using neat ethanol and liquified petroleum gas (LPG) as transportation fuels in the US Low-level blends of ethanol (10%) with gasoline have been used as fuels in the US for more than a decade, but neat ethanol (85% or more) has only been used extensively in Brazil. LPG, which consists mostly of propane, is already used extensively as a vehicle fuel in the US, but its use has been limited primarily to converted fleet vehicles. Increasing US interest in alternative fuels has raised the possibility of introducing neat ethanol vehicles into the market and expanding the number of LPG vehicles. Use of such vehicles and increased production and consumption of fuel ethanol and LPG will undoubtedly have environmental impacts. If the impacts are determined to be severe, they could act as barriers to the introduction of neat ethanol and LPG vehicles. Environmental concerns include exhaust and evaporative emissions and their impact on ozone formation and global warming, toxic emissions from fuel combustion and evaporation, and agricultural emissions from production of ethanol. The paper is not intended to be judgmental regarding the overall attractiveness of ethanol or LPG compared to other transportation fuels. The environmental concerns are reviewed and summarized, but the only conclusion reached is that there is no single concern that is likely to prevent the introduction of neat ethanol fueled vehicles or the increase in LPG fueled vehicles.

  19. Emissions from ethanol and LPG fueled vehicles

    SciTech Connect (OSTI)

    Pitstick, M.E.

    1992-12-31

    This paper addresses the environmental concerns of using neat ethanol and liquified petroleum gas (LPG) as transportation fuels in the US Low-level blends of ethanol (10%) with gasoline have been used as fuels in the US for more than a decade, but neat ethanol (85% or more) has only been used extensively in Brazil. LPG, which consists mostly of propane, is already used extensively as a vehicle fuel in the US, but its use has been limited primarily to converted fleet vehicles. Increasing US interest in alternative fuels has raised the possibility of introducing neat ethanol vehicles into the market and expanding the number of LPG vehicles. Use of such vehicles and increased production and consumption of fuel ethanol and LPG will undoubtedly have environmental impacts. If the impacts are determined to be severe, they could act as barriers to the introduction of neat ethanol and LPG vehicles. Environmental concerns include exhaust and evaporative emissions and their impact on ozone formation and global warming, toxic emissions from fuel combustion and evaporation, and agricultural emissions from production of ethanol. The paper is not intended to be judgmental regarding the overall attractiveness of ethanol or LPG compared to other transportation fuels. The environmental concerns are reviewed and summarized, but the only conclusion reached is that there is no single concern that is likely to prevent the introduction of neat ethanol fueled vehicles or the increase in LPG fueled vehicles.

  20. Emissions from ethanol- and LPG-fueled vehicles

    SciTech Connect (OSTI)

    Pitstick, M.E.

    1995-06-01

    This paper addresses the environmental concerns of using neat ethanol and liquefied petroleum gas (LPG) as transportation fuels in the United States. Low-level blends of ethanol (10%) with gasoline have been used as fuels in the United States for more than a decade, but neat ethanol (85% or more) has only been used extensively in Brazil. LPG, which consists mostly of propane, is already used extensively as a vehicle fuel in the United States, but its use has been limited primarily to converted fleet vehicles. Increasing U.S. interest in alternative fuels has raised the possibility of introducing neat-ethanol vehicles into the market and expanding the number of LPG vehicles. Use of such vehicles, and increased production and consumption of fuel ethanol and LPG, will undoubtedly have environmental impacts. If the impacts are determined to be severe, they could act as barriers to the introduction of neat-ethanol and LPG vehicles. Environmental concerns include exhaust and evaporative emissions and their impact on ozone formation and global warming, toxic emissions from fuel combustion and evaporation, and agricultural impacts from production of ethanol. The paper is not intended to be judgmental regarding the overall attractiveness of ethanol or LPG as compared with other transportation fuels. The environmental concerns are reviewed and summarized, but only conclusion reached is that there is no single concern that is likely to prevent the introduction of neat-ethanol-fueled vehicles or the increase in LPG-fueled vehicles.

  1. chemicals | netl.doe.gov

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

    quantities of ammonia produced from gasification). In the context of liquid fuels, methanol can be added as an end product; in some locations (China in particular) methanol is a...

  2. U.S. Energy Information Administration (EIA)

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

    for several methanol plants in the southeastern United States. In a recent report, Bentek Energy estimated that most of the proposed methanol plants will each consume between 0.1...

  3. Life cycle inventory of biodiesel and petroleum diesel for use...

    Office of Scientific and Technical Information (OSTI)

    Biodiesel is made by chemically combining any natural oil or fat with an alcohol such as methanol or ethanol. Methanol has been the most commonly used alcohol in the commercial ...

  4. Alternative Fuels Data Center

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Fuel Dispenser Labeling Requirement All equipment used to dispense motor fuel containing at least 1% ethanol or methanol must be clearly labeled to inform customers that the fuel contains ethanol or methanol. (Reference Texas Statutes, Agriculture Code 17.051

  5. Modeling and cold start in alcohol-fueled engines

    SciTech Connect (OSTI)

    Markel, A.J.; Bailey, B.K.

    1998-05-01

    Neat alcohol fuels offer several benefits over conventional gasoline in automotive applications. However, their low vapor pressure and high heat of vaporization make it difficult to produce a flammable vapor composition from a neat alcohol fuel during a start under cold ambient conditions. Various methods have been introduced to compensate for this deficiency. In this study, the authors applied computer modeling and simulation to evaluate the potential of four cold-start technologies for engines fueled by near-neat alcohol. The four technologies were a rich combustor device, a partial oxidation reactor, a catalytic reformer, and an enhanced ignition system. The authors ranked the competing technologies by their ability to meet two primary criteria for cold starting an engine at {minus}25 deg C and also by several secondary parameters related to commercialization. Their analysis results suggest that of the four technologies evaluated, the enhanced ignition system is the best option for further development.

  6. 1

    Office of Environmental Management (EM)

    Tetrachloroethylene, Trichloroethylene, Trichloroflouromethane, Acetone, Ethyl ether, Methanol, Methyl isobutyl ketone, n-Butyl alcohol, Xylene, Cresols, Cresylic acid,...

  7. 1

    Office of Environmental Management (EM)

    Tetrachloroethylene; Trichloroethylene; Trichloroflouromethane; Acetone; Ethyl ether; Methanol; Methyl isobutyl ketone; n-Butyl alcohol; Xylene; Cresols; Cresylic acid;...

  8. 1

    Office of Environmental Management (EM)

    Tetrachloroethylene; Trichloroethylene; Trichloroflouromethane; Acetone; Ethyl ether; Methanol; Methyl isobutyl ketone; n-Butyl alcohol; Xylene; 2- Ethoxyethanol; 2-Nitropropane;...

  9. List of Siding Incentives | Open Energy Information

    Open Energy Info (EERE)

    Windows Biodiesel Daylighting Ethanol Geothermal Electric Ground Source Heat Pumps Methanol Photovoltaics Renewable Fuels Small Hydroelectric Solar Thermal Electric Solar...

  10. List of Refueling Stations Incentives | Open Energy Information

    Open Energy Info (EERE)

    Renewable Fuel Vehicles Other Alternative Fuel Vehicles Refueling Stations Ethanol Methanol Biodiesel No Alternative Vehicle Conversion Credits - Corporate (Louisiana) Corporate...

  11. List of Compressed air Incentives | Open Energy Information

    Open Energy Info (EERE)

    Windows Biodiesel Daylighting Ethanol Geothermal Electric Ground Source Heat Pumps Methanol Photovoltaics Renewable Fuels Small Hydroelectric Solar Thermal Electric Solar...

  12. List of Agricultural Equipment Incentives | Open Energy Information

    Open Energy Info (EERE)

    Windows Biodiesel Daylighting Ethanol Geothermal Electric Ground Source Heat Pumps Methanol Photovoltaics Renewable Fuels Small Hydroelectric Solar Thermal Electric Solar...

  13. Local Loan Program | Open Energy Information

    Open Energy Info (EERE)

    Windows Biodiesel Daylighting Ethanol Geothermal Electric Ground Source Heat Pumps Methanol Photovoltaics Renewable Fuels Small Hydroelectric Solar Thermal Electric Solar...

  14. List of Other Alternative Fuel Vehicles Incentives | Open Energy...

    Open Energy Info (EERE)

    Fuels Renewable Fuel Vehicles Other Alternative Fuel Vehicles Refueling Stations Ethanol Methanol Biodiesel No Alternative Vehicle Conversion Credits - Corporate (Louisiana)...

  15. Personal Exemption | Open Energy Information

    Open Energy Info (EERE)

    Fuel Vehicles (Oklahoma) Personal Exemption Personal Exemption Oklahoma Residential Methanol No Residential Energy Conservation Subsidy Exclusion (Personal) (Federal)...

  16. Range Fuels Commercial-Scale Biorefinery

    Broader source: Energy.gov [DOE]

    The Range Fuels commercial-scale biorefinery will use a variety of feedstocks to create cellulosic ethanol, methanol, and power.

  17. Evaluation of M85-fueled 1987 turbo Buick regals. Technical report

    SciTech Connect (OSTI)

    Blair, D.M.

    1987-12-01

    This report describes emission testing conducted at the EPA Motor Vehicle Emission Laboratory on two turbocharged Buick Regals which were converted to use M-85 fuel (methanol). These vehicles, converted to use methanol fuel, have the potential to create a consumer interest in methanol-fueled or flexible-fueled vehicles due to the increased performance possible when using methanol fuel in a turbocharged engine.

  18. Simultaneous multi-headed imager geometry calibration method

    DOE Patents [OSTI]

    Tran, Vi-Hoa (Newport News, VA); Meikle, Steven Richard (Penshurst, AU); Smith, Mark Frederick (Yorktown, VA)

    2008-02-19

    A method for calibrating multi-headed high sensitivity and high spatial resolution dynamic imaging systems, especially those useful in the acquisition of tomographic images of small animals. The method of the present invention comprises: simultaneously calibrating two or more detectors to the same coordinate system; and functionally correcting for unwanted detector movement due to gantry flexing.

  19. Load responsive hydrodynamic bearing

    DOE Patents [OSTI]

    Kalsi, Manmohan S. (Houston, TX); Somogyi, Dezso (Sugar Land, TX); Dietle, Lannie L. (Stafford, TX)

    2002-01-01

    A load responsive hydrodynamic bearing is provided in the form of a thrust bearing or journal bearing for supporting, guiding and lubricating a relatively rotatable member to minimize wear thereof responsive to relative rotation under severe load. In the space between spaced relatively rotatable members and in the presence of a liquid or grease lubricant, one or more continuous ring shaped integral generally circular bearing bodies each define at least one dynamic surface and a plurality of support regions. Each of the support regions defines a static surface which is oriented in generally opposed relation with the dynamic surface for contact with one of the relatively rotatable members. A plurality of flexing regions are defined by the generally circular body of the bearing and are integral with and located between adjacent support regions. Each of the flexing regions has a first beam-like element being connected by an integral flexible hinge with one of the support regions and a second beam-like element having an integral flexible hinge connection with an adjacent support region. A least one local weakening geometry of the flexing region is located intermediate the first and second beam-like elements. In response to application of load from one of the relatively rotatable elements to the bearing, the beam-like elements and the local weakening geometry become flexed, causing the dynamic surface to deform and establish a hydrodynamic geometry for wedging lubricant into the dynamic interface.

  20. Going Deep vs. Going Wide

    Broader source: Energy.gov [DOE]

    Going Deep vs. Going Wide, from the Residential Energy Efficiency Solutions Conference 2012. Provides an overview on the progress of four energy efficiency programs: Clean Energy Works Oregon, Efficiency Maine, Energy Upgrade California Flex Path, and EcoHouse Loan Program.

  1. Attachment method for stacked integrated circuit (IC) chips

    DOE Patents [OSTI]

    Bernhardt, A.F.; Malba, V.

    1999-08-03

    An attachment method for stacked integrated circuit (IC) chips is disclosed. The method involves connecting stacked chips, such as DRAM memory chips, to each other and/or to a circuit board. Pads on the individual chips are rerouted to form pads on the side of the chip, after which the chips are stacked on top of each other whereby desired interconnections to other chips or a circuit board can be accomplished via the side-located pads. The pads on the side of a chip are connected to metal lines on a flexible plastic tape (flex) by anisotropically conductive adhesive (ACA). Metal lines on the flex are likewise connected to other pads on chips and/or to pads on a circuit board. In the case of a stack of DRAM chips, pads to corresponding address lines on the various chips may be connected to the same metal line on the flex to form an address bus. This method has the advantage of reducing the number of connections required to be made to the circuit board due to bussing; the flex can accommodate dimensional variation in the alignment of chips in the stack; bonding of the ACA is accomplished at low temperature and is otherwise simpler and less expensive than solder bonding; chips can be bonded to the ACA all at once if the sides of the chips are substantially coplanar, as in the case for stacks of identical chips, such as DRAM. 12 figs.

  2. Attachment method for stacked integrated circuit (IC) chips

    DOE Patents [OSTI]

    Bernhardt, Anthony F. (Berkeley, CA); Malba, Vincent (Livermore, CA)

    1999-01-01

    An attachment method for stacked integrated circuit (IC) chips. The method involves connecting stacked chips, such as DRAM memory chips, to each other and/or to a circuit board. Pads on the individual chips are rerouted to form pads on the side of the chip, after which the chips are stacked on top of each other whereby desired interconnections to other chips or a circuit board can be accomplished via the side-located pads. The pads on the side of a chip are connected to metal lines on a flexible plastic tape (flex) by anisotropically conductive adhesive (ACA). Metal lines on the flex are likewise connected to other pads on chips and/or to pads on a circuit board. In the case of a stack of DRAM chips, pads to corresponding address lines on the various chips may be connected to the same metal line on the flex to form an address bus. This method has the advantage of reducing the number of connections required to be made to the circuit board due to bussing; the flex can accommodate dimensional variation in the alignment of chips in the stack; bonding of the ACA is accomplished at low temperature and is otherwise simpler and less expensive than solder bonding; chips can be bonded to the ACA all at once if the sides of the chips are substantially coplanar, as in the case for stacks of identical chips, such as DRAM.

  3. Advancing Transportation Through Vehicle Electrification - PHEV |

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

    Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon arravt067_vss_bazzi_2011_o.pdf More Documents & Publications Advancing Plug In Hybrid Technology and Flex Fuel Application on a Chrysler Mini-Van PHEV DOE Funded Project

  4. Clean Cities 2012 Vehicle Buyer's Guide (Brochure), Energy Efficiency & Renewable Energy (EERE)

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

    Ethanol Flex-Fuel Biodiesel Vehicle Buyer's Guide Clean Cities 2012 The expanding availability of alternative fuels and advanced vehicles makes it easier than ever to reduce petroleum use, cut emissions, and save on fuel costs. This guide features a comprehensive list of vehicles set to hit the market in model year 2012. Contents Introduction . . . . . . . . . . . . . . . . . . . . . . . . 4 About This Guide . . . . . . . . . . . . . . . . . . . 5 Compressed Natural Gas . . . . . . . . . . . . 6

  5. CX-002388: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Advancing Plug-In Hybrid Technology and Flex Fuel Application on a Chrysler Minivan - Auburn HillsCX(s) Applied: B3.6Date: 05/24/2010Location(s): Auburn Hills, MichiganOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  6. CX-002723: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Area of Interest 3 Deployment of Flex Combined Heat and Power System (Funding Opportunity Announcement 0000016)CX(s) Applied: B3.6Date: 06/21/2010Location(s): El Centro, CaliforniaOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  7. CX-002724: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Area of Interest 3 Deployment of Flex Combined Heat and Power System (Funding Opportunity Announcement 0000016)CX(s) Applied: B3.6Date: 06/21/2010Location(s): Des Plains, IllinoisOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  8. FY 1993 Projection Capability Assurance Program waste and hazard minimization. Quarterly report, October--December 1993

    SciTech Connect (OSTI)

    Haws, L.D.; Homan, D.A.

    1993-01-15

    Waste and hazard minimization efforts in the following areas are described: (1) environmentally responsive cleaning, (2) hazardous material exposure, (3) explosive processing, (4) flex circuit manufacturing, (5) tritium capture w/o conversion to water, (6) ES&H compatible pyrotechnic materials, and (7) remote explosive component assembly.

  9. Database of Low-e Storm Window Energy Performance across U.S. Climate Zones

    SciTech Connect (OSTI)

    Culp, Thomas D.; Cort, Katherine A.

    2014-09-04

    This is an update of a report that describes process, assumptions, and modeling results produced Create a Database of U.S. Climate-Based Analysis for Low-E Storm Windows. The scope of the overall effort is to develop a database of energy savings and cost effectiveness of low-E storm windows in residential homes across a broad range of U.S. climates using the National Energy Audit Tool (NEAT) and RESFEN model calculations. This report includes a summary of the results, NEAT and RESFEN background, methodology, and input assumptions, and an appendix with detailed results and assumptions by cliamte zone.

  10. Pre-Combustion Carbon Capture by a Nanoporous, Superhydrophobic Membrane Contactor Process

    SciTech Connect (OSTI)

    Howard Meyer; S.James Zhou; Yong Ding; Ben Bikson

    2012-03-31

    This report summarizes progress made during Phase I and Phase II of the project: "Pre-Combustion Carbon Capture by a Nanoporous, Superhydrophobic Membrane Contactor Process," under contract DE-FE-0000646. The objective of this project is to develop a practical and cost effective technology for CO{sub 2} separation and capture for pre-combustion coal-based gasification plants using a membrane contactor/solvent absorption process. The goals of this technology development project are to separate and capture at least 90% of the CO{sub 2} from Integrated Gasification Combined Cycle (IGCC) power plants with less than 10% increase in the cost of energy services. Unlike conventional gas separation membranes, the membrane contactor is a novel gas separation process based on the gas/liquid membrane concept. The membrane contactor is an advanced mass transfer device that operates with liquid on one side of the membrane and gas on the other. The membrane contactor can operate with pressures that are almost the same on both sides of the membrane, whereas the gas separation membranes use the differential pressure across the membrane as driving force for separation. The driving force for separation for the membrane contactor process is the chemical potential difference of CO{sub 2} in the gas phase and in the absorption liquid. This process is thus easily tailored to suit the needs for pre-combustion separation and capture of CO{sub 2}. Gas Technology Institute (GTI) and PoroGen Corporation (PGC) have developed a novel hollow fiber membrane technology that is based on chemically and thermally resistant commercial engineered polymer poly(ether ether ketone) or PEEK. The PEEK membrane material used in the membrane contactor during this technology development program is a high temperature engineered plastic that is virtually non-destructible under the operating conditions encountered in typical gas absorption applications. It can withstand contact with most of the common treating solvents. GTI and PGC have developed a nanoporous and superhydrophobic PEEK-based hollow fiber membrane contactor tailored for the membrane contactor/solvent absorption application for syngas cleanup. The membrane contactor modules were scaled up to 8-inch diameter commercial size modules. We have performing extensive laboratory and bench testing using pure gases, simulated water-gas-shifted (WGS) syngas stream, and a slipstream from a gasification derived syngas from GTIâ??s Flex-Fuel Test Facility (FFTF) gasification plant under commercially relevant conditions. The team have also carried out an engineering and economic analysis of the membrane contactor process to evaluate the economics of this technology and its commercial potential. Our test results have shown that 90% CO{sub 2} capture can be achieved with several physical solvents such as water and chilled methanol. The rate of CO{sub 2} removal by the membrane contactor is in the range of 1.5 to 2.0 kg/m{sup 2}/hr depending on the operating pressures and temperatures and depending on the solvents used. The final economic analysis has shown that the membrane contactor process will cause the cost of electricity to increase by 21% from the base plant without CO{sub 2} capture. The goal of 10% increase in levelized cost of electricity (LCOE) from base DOE Case 1(base plant without capture) is not achieved by using the membrane contactor. However, the 21% increase in LCOE is a substantial improvement as compared with the 31.6% increase in LCOE as in DOE Case 2(state of art capture technology using 2-stages of Selexol{TM}).

  11. Phase change compositions

    DOE Patents [OSTI]

    Salyer, Ival O. (Dayton, OH); Griffen, Charles W. (Mason, OH)

    1986-01-01

    Compositions containing crystalline, long chain, alkyl hydrocarbons as phase change materials including cementitious compositions containing the alkyl hydrocarbons neat or in pellets or granules formed by incorporating the alkyl hydrocarbons in polymers or rubbers; and polymeric or elastomeric compositions containing alkyl hydrocarbons.

  12. Phase change compositions

    DOE Patents [OSTI]

    Salyer, Ival O. (Dayton, OH)

    1989-01-01

    Compositions containing crystalline, straight chain, alkyl hydrocarbons as phase change materials including cementitious compositions containing the alkyl hydrocarbons neat or in pellets or granules formed by incorporating the alkyl hydrocarbons in polymers or rubbers; and polymeric or elastomeric compositions containing alkyl hydrocarbons.

  13. WPN 93-14: 40 Percent Waiver Provisions for Multifamily and Mobile Home Units

    Broader source: Energy.gov [DOE]

    This program notice provides guidance on multifamily and mobile home units weatherized by states, which adopt the approved 4.0 version of NEAT or other similar approved energy audits and receive a waiver of the 40 percent requirement from DOE.

  14. WPN 94-8: 40 Percent Waiver Provisions for Mobile Home Units

    Broader source: Energy.gov [DOE]

    This program notice provides clarifying guidance previously issued under Weatherization Program Notice 93-14 on mobile home units weatherized by states which adopt the approved 4.0 version of NEAT or other similar approved energy audits and receive a waiver of the 40 percent requirement from DOE.

  15. Alkyl-bis(imidazolium) salts: a new amphiphile platform that forms thermotropic and non-aqueous lyotropic bicontinuous cubic phases

    SciTech Connect (OSTI)

    Robertson, LA; Schenkel, MR; Wiesenauer, BR; Gin, DL

    2013-01-01

    New ionic amphiphiles with a hexyl-bridged bis(imidazolium) headgroup; Br-, BF4-, or Tf2N- anions; and a long n-alkyl tail can form thermotropic bicontinuous cubic liquid crystal phases in neat form and/or lyotropic bicontinuous cubic phases with several non-aqueous solvents or water.

  16. Semi-flexible gas-insulated transmission line using electric field stress shields

    DOE Patents [OSTI]

    Cookson, Alan H. (Churchill Borough, PA); Dale, Steinar J. (Monroeville, PA); Bolin, Philip C. (Wilkins Township, Allegheny County, PA)

    1982-12-28

    A gas-insulated transmission line includes an outer sheath, an inner conductor, an insulating gas electrically insulating the inner conductor from the outer sheath, and insulating supports insulatably supporting the inner conductor within the outer sheath. The inner conductor is provided with flexibility by use of main conductor sections which are joined together through a conductor hub section and flexible flexing elements. Stress shields are provided to control the electric field at the locations of the conductor hub sections where the insulating supports are contacting the inner conductor. The flexing elements and the stress shields may also be utilized in connection with a plug and socket arrangement for providing electrical connection between main conductor sections.

  17. Semi-flexible gas-insulated transmission line using electric field stress shields

    DOE Patents [OSTI]

    Cookson, A.H.; Dale, S.J.; Bolin, P.C.

    1982-12-28

    A gas-insulated transmission line includes an outer sheath, an inner conductor, an insulating gas electrically insulating the inner conductor from the outer sheath, and insulating supports insulatably supporting the inner conductor within the outer sheath. The inner conductor is provided with flexibility by use of main conductor sections which are joined together through a conductor hub section and flexible flexing elements. Stress shields are provided to control the electric field at the locations of the conductor hub sections where the insulating supports are contacting the inner conductor. The flexing elements and the stress shields may also be utilized in connection with a plug and socket arrangement for providing electrical connection between main conductor sections. 10 figs.

  18. Process for producing ethanol from syngas

    DOE Patents [OSTI]

    Krause, Theodore R; Rathke, Jerome W; Chen, Michael J

    2013-05-14

    The invention provides a method for producing ethanol, the method comprising establishing an atmosphere containing methanol forming catalyst and ethanol forming catalyst; injecting syngas into the atmosphere at a temperature and for a time sufficient to produce methanol; and contacting the produced methanol with additional syngas at a temperature and for a time sufficient to produce ethanol. The invention also provides an integrated system for producing methanol and ethanol from syngas, the system comprising an atmosphere isolated from the ambient environment; a first catalyst to produce methanol from syngas wherein the first catalyst resides in the atmosphere; a second catalyst to product ethanol from methanol and syngas, wherein the second catalyst resides in the atmosphere; a conduit for introducing syngas to the atmosphere; and a device for removing ethanol from the atmosphere. The exothermicity of the method and system obviates the need for input of additional heat from outside the atmosphere.

  19. Annual Energy Outlook 2013 Early Release Reference Case

    Gasoline and Diesel Fuel Update (EIA)

    Flex-Fuel Vehicle Modeling in the Annual Energy Outlook John Maples Office of Energy Consumption and Energy Analysis March 20, 2013 | Washington, DC Light duty vehicle technology and alternative fuel market penetration 2 * Technologies affecting light-duty vehicle fuel economy are considered as either: - subsystem technologies (transmissions, materials, turbo charging) - advanced/alternative fuel vehicles (hybrids, EVs, FFVs) * Manufacturers Technology Choice Component (MTCC) - 9 manufacturers,

  20. Parametric Adaptive Model Based Diagnostics | Department of Energy

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

    Parametric Adaptive Model Based Diagnostics Parametric Adaptive Model Based Diagnostics A model-based adaptive, robust technology is presented for on-board diagnostics of failure of diesel engine emission control devices and ethanol estimation of flex-fuel vehicles. PDF icon p-06_franchek.pdf More Documents & Publications Model-Based Transient Calibration Optimization for Next Generation Diesel Engines Evaluation of 2010 Urea-SCR Technology for Hybrid Vehicles using PSAT System Simulations