PROGRAM AREA OVERVIEW --
BASIC ENERGY SCIENCES

http://www.sc.doe.gov/bes/bes.html

The Basic Energy Sciences (BES) program supports fundamental research in the natural sciences leading to new and improved energy technologies.  The program’s purpose is to create new scientific knowledge by supporting basic, peer-reviewed research in areas of materials sciences, chemical sciences, geosciences, plant and microbial biosciences, and engineering sciences that are relevant to energy resources, production, conversion, and efficiency. The results of BES-supported research are routinely published in the open literature.

A key function of the program is to plan, construct, and operate premier national user facilities to serve researchers at universities, national laboratories, and industrial laboratories, thus enabling the acquisition of new knowledge that cannot be obtained in any other way.  The scientific facilities include synchrotron radiation light sources, high-flux neutron sources, electron-beam microcharacterization centers, and specialized facilities such as the Combustion Research Facility.  These national resources are available free of charge to all researchers based on the quality and importance of proposed nonpropriety experiments.

A major objective of the BES program is to promote the transfer of the results of our basic research to advance and create technologies important to Department of Energy (DOE) missions in areas of energy efficiency, renewable energy resources, improved use of fossil fuels, mitigation of the adverse impacts of energy production and use, and future fusion energy sources. The following set of technical topics represents one important mechanism by which the BES program augments its system of university and laboratory research programs and integrates basic science, applied research, and development activities within the DOE.

 

28. MATERIALS FOR ADVANCED NUCLEAR ENERGY SYSTEMS

The Generation IV nuclear energy initiative is an international collaboration to identify, assess, and develop sustainable nuclear energy technologies that are competitive in most markets, while further enhancing nuclear safety, minimizing the nuclear waste burden, and further reducing the risk of proliferation (reference 1).  Many nuclear energy systems have been proposed to advance the goals of the Generation IV program (see references 2-8), including designs that use liquid-metal coolants such as sodium and lead, gas coolants such as helium, water coolants such as supercritical water, and molten salt coolants.  For these systems, operation at higher temperature has been identified as a means to improve economic performance and to support the thermochemical production of hydrogen.  However, the move to higher operating temperatures will require the development and qualification of advanced materials to perform in the more challenging environment.  As part of the process of developing advanced materials for these reactor concepts, a fundamental understanding of materials behavior must be established and a database that defines the critical performance limitations of these materials under irradiation must be developed.  A recent workshop details many of the research challenges for higher temperature materials associated with proposed Generation IV systems (reference 9).  Grant applications are sought only in the following subtopics:

a.  Advanced Radiation Resistance Ferritic-Martensitic Alloys - Because of their resistance to void swelling, 9 Cr and 12 Cr ferritic-martensitic steels are considered prime candidates for intermediate temperature reactors such as the proposed liquid metal and supercritical water concepts operating in the temperature range of 400-750°C.  However, many ferritic-martensitic steels are limited by poor higher temperature creep strength, typically degrading at temperatures greater than 550-600°C (reference 10).  Grant applications are sought to improve the creep strength of 9 Cr and 12 Cr ferritic-martensitic steels through alloying, dispersion strengthening, or precipitation hardening.  Innovative alloys with protective coatings are also of interest.  Proposed approaches must provide for (1) isotropic creep properties with strength greater than that of Sandvik HT9 steel, (2) a ductile to brittle transition temperature less than room temperature, and (3) a minimum plane-strain fracture toughness of 0.25õy.  Alloying elements that act as neutron poisons (e.g., boron) or that become highly activated in a neutron spectrum (e.g, cobalt) must be minimized or eliminated.  Because the ferritic-martensitic steels likely would be used in conjunction with sodium-cooled, lead- or lead-bismuth-cooled, or supercritical water-cooled reactor concepts, approaches that optimize corrosion performance while achieving improved high temperature strength would be considered high priority.  Lastly, approaches that also address irradiation performance are strongly encouraged.

b.      Advanced Refractory, Ceramic, Ceramic Composite, or Coated Materials - Some Generation IV concepts aim for very high temperature (>900°C) operation.  However, with the exception of limited data on SiC-based systems, the radiation resistance of construction materials subjected to very high temperatures has not been identified or proven.  Grant applications are sought to develop advanced refractory, ceramic, ceramic composite, or coated materials that can meet the very demanding conditions required to operate at temperatures greater than 900°C in a fast spectrum nuclear energy system.  For these conditions, the materials should have low thermal expansion coefficients, excellent high temperature strength, excellent high temperature creep resistance, and good thermal conductivity.  For post-irradiation handling at lower temperatures, sufficient room temperature fracture toughness must be maintained.  Additionally, the materials need to be easily fabricated and capable of being joined.  Because the reactors operating in this temperature regime are expected to be helium cooled, the materials must have low erosion properties in flowing helium and be able to survive an air ingress condition.  Because sustainable nuclear energy systems are likely to be based on fast spectrum systems, the materials must avoid low atomic mass components such as hydrogen and carbon. Because the high temperature strength and corrosion resistance may be difficult to achieve with a single material, composite or coated systems may be required. Finally, because sustainable nuclear energy systems may be based on fast spectrum (i.e., fast flux) designs, materials intended for fast reactor concepts should minimize the use of low atomic mass components such as hydrogen and carbon.

References:

1.      Moving Forward:  Generation IV Nuclear Energy Systems, U.S. DOE Office of Nuclear Energy, Science and Technology, http://gen-iv.ne.doe.gov  

2.      Sekimoto, H., et al., “Small Lead-Bismuth-Eutectic (LBE)-Cooled Fast Reactor for Expanding Market,” Proceedings of the Tenth International Conference on Nuclear Engineering (ICONE 10), Arlington, VA, April 14-18, 2002, American Society of Mechanical Engineers (ASME), 2002.  (Paper No. 10-22049)*  

3.      Wade, D. C., et al., “Status of the Encapsulated Nuclear Heat Source (ENHS) Reactor Concept,” Proceedings of the Tenth International Conference on Nuclear Engineering (ICONE 10), Arlington, VA, April 14-18, 2002, ASME, 2002.  (Paper No. 10-22202)*  

4.      Hejzlar, P., et al., “Design Strategies for a Lead-Bismuth-Cooled Reactor for Actinide Burning and Low-Cost Electricity,” Proceedings of the Tenth International Conference on Nuclear Engineering (ICONE 10), Arlington, VA, April 14-18, 2002, ASME, 2002.  (Paper No. 10-22377)*  

5.      Kiryushin, A. I. et al., “BN-800—Next Generation of Russian Sodium Fast Reactors,” Proceedings of the Tenth International Conference on Nuclear Engineering (ICONE 10), Arlington, VA, April 14-18, 2002, ASME, 2002.  (Paper No. ICONE 10-22405) (Available via FAX from DOE Office of Nuclear Energy, Science and Technology.  Contact Madeline Feltus at madeline.feltus@hq.doe.gov.)  

6.      Hittner, D., “The Programme and First Results of the European High Temperature Reactor (HTR) Technology Network (HTR-TN),” Proceedings of the Tenth International Conference on Nuclear Engineering (ICONE 10), Arlington, VA, April 14-18, 2002, ASME, 2002.  (Paper No. 10-22423)*  

7.      King, R. L. and Porter, D. L., “Performance of Key Features of [the] Experimental Breeder Reactor (EBR)-II and the Implications for Next-Generation Reactor Systems,” Proceedings of the Tenth International Conference on Nuclear Engineering (ICONE 10), Arlington, VA, April 14-18, 2002, ASME, 2002.  (Paper No. 10-22524)*  

8.      Oka , Y. and Koshizuka, S., “Design Concept of Once-Through Cycle Supercritical-Pressure Light-Water-Cooled Reactors,” Proceedings of SCR-2000:  International Symposium on Supercritical Water-Cooled Reactors, Design and Technology, Tokyo, Japan, November 6-9, 2000, Tokyo:  Tokyo University, July 1, 2000.  (ISBN: 4-901332-00-4) (OSTI ID: 20218877) (Abstract available at:  http://www.osti.gov/doeecd.  Using “Basic Search,” search “Bibliographic Info for “20218877.”)  

9.      Allen, T., et al., Workshop  on Higher Temperature Reactor Materials, La Jolla , CA, March 18-21, 2002, Sponsored by U. S. DOE Office of Nuclear Energy, Science, and Technology and DOE Office of Basic Energy Sciences, August 12, 2002 .  (Report No. ANL-02/12) (Full text available at:  http://www.osti.gov/doeecd/.  Using “Basic Search,” search “Identifier Numbers” for “ANL02/12.”)  

10.  Klueh, R. L. and Harries, D. L., High Chromium Ferritic and Martensitic Steels for Nuclear Applications, West Conshohocken, PA:  American Society for Testing and Materials, 2001.  (ISBN: 0-8031-2090-7)  

_______________________

*    Abstract available at:  http://www.asmeconferences.org/icone10/SearchPaperSchedule.cfm.  To order proceedings, see:  http://www.asme.org/catalog/.

   

  29. ADVANCED FOSSIL FUELS RESEARCH

For the foreseeable future, the energy needed to sustain economic growth will continue to come largely from fossil fuels. In supplying this energy need, however, the Nation must address growing global and regional environmental concerns, supply issues, and energy prices. Maintaining low-cost energy in the face of growing demand, diminishing supply, and increasing environmental pressure requires new technologies and diversified energy supplies.  These technologies must allow the Nation to use all of its indigenous resources more wisely, cleanly, and efficiently.  These resources include inherently clean natural gas and the Nation's most abundant and lowest cost resource, coal.  Grant applications are sought only in the following subtopics:

a.  Hydrogen Fuels and Technologies - Clean forms of energy are needed to support sustainable global economic growth while mitigating greenhouse gas emissions and impacts on air quality.  Hydrogen systems can provide viable, sustainable options for meeting the world’s energy requirements in all energy sectors – transportation, buildings, utilities, and industry.  However, hydrogen energy systems still face a number of technical and economic barriers that must be overcome for these systems to become competitive.  For example, infrastructure barriers, particularly in the storage area, hinder the near-term application of hydrogen for transportation applications.  Additionally, safety issues, both real and perceived, are concerns for acceptance of hydrogen by the general population.  Because of these barriers, the use of hydrogen as an energy carrier is considered a mid- to long-term goal.  Advances must be made in hydrogen production, storage, transport, and utilization technologies and in the integration of these components into complete energy systems.

This subtopic focuses on hydrogen production.  Initially, hydrogen will be produced from fossil fuels because it will take some time before the production of hydrogen from renewables is cost-competitive.  In particular, domestic coal can be a major source of hydrogen in the near- to mid-term.  Research is needed to improve technologies that not only will lower the cost of producing hydrogen from coal but also will enable the sequestration of carbon. Therefore, grant applications are sought to develop advanced separation and cleanup technologies for the efficient production of hydrogen from coal, particularly for fuel cell applications.  Areas of interest include improved gas cleanup, sulfur removal, and hydrogen separation processes.

b. Small Scale Continuous Hydrogen Generator as a Fuel Source for Power Units - A safe means to provide a controlled stream of hydrogen as a fuel for power units would be desirable because, essentially, only steam and nitrogen would be emitted from the combustion air.  Since combustion emissions are one of the worst sources of pollutants, this would be a significant improvement.  Therefore, grant applications are sought to design, evaluate, and test candidate hydrogen-fueled power unit systems.

The Steam-Iron Process, configured some years ago as a continuously operating two-reactor process, is one possible candidate.  In its first reactor, granular Fe2O3 is reduced to the elemental state by reaction at an elevated temperature with a reducing material such as HC gas or liquid fuels.  The elemental iron is transferred to the second reactor where it reacts with steam to yield Fe2O3 and hydrogen.  The Fe2O3 is recycled.  Although extensively studied in the 1990s through the pilot plant stage, the Steam-Iron Process was not scaled up to demonstration size because its projected economics as a commercial source of large quantities of hydrogen was unsatisfactory.  However, it may be possible to reconfigure this process as a source of hydrogen for a power unit. For example, with suitable valving, one or more pairs of Fe/Fe2O3 columns could be alternately reduced by a fuel and oxidized with steam to produce hydrogen. The engine driven by the hydrogen fuel could be a gas turbine, a fuel cell-electric engine combination, or an adapted multi-cylinder engine.  Other novel means of generating a controllable stream of hydrogen fuel are also of interest.  Whatever method is proposed, the suitability of the process and its economics must be compared with (1) state-of-the-art schemes for producing hydrogen by reforming hydro-carbonaceous material with steam/oxygen and (2) at least one candidate type of commercial power unit.

c.  Biogeochemical Carbon Sequestration/Conversion - Carbon sequestration is a relatively new approach to the stabilization of greenhouse gas concentration (i.e., new compared to the other two pathways – improving the efficiency of energy use and reducing the carbon content of fuels).  Current approaches include the conversion of carbon dioxide to benign, stable compounds for long-term storage or to value added products for reuse.  Grant applications are sought to develop practical methods to:  (1) grossly accelerate the natural bioconversion of carbon dioxide to methane in geologic reservoirs by employing methanogen microorganisms as catalysts, as well as other geochemical reactants, (2) apply similar processes to the capture of carbon dioxide at large point sources, and (3) efficiently employ microorganisms and/or biomimetic catalysts to convert carbon dioxide in flue gas to intermediates that can be subsequently reacted to calcium/magnesium carbonates for terminal sequestration.

d.  Instrumentation and Sensors for Solid Oxide Fuel Cell (SOFC) Materials Science - The use of fuel cells for power generation offers the opportunity for high efficiency and nearly pollution free operation.  SOFCs consist of an ionically conducting solid oxide electrolyte layered between catalytically active porous electrodes.  The electrochemically active cells are configured into a stack involving gas seals and electrical interconnections.  The systems operate at high temperatures (600 to 1000oC) and suffer from chemical and mechanical stability limitations (see references 1 and 2).  The search for suitable materials involves the synthesis of functional layers and interfacial regions with enhanced electrochemical properties.  Unfortunately, a fundamental understanding of fabricated SOFC structures is limited by the ability to adequately characterize the functional materials in an SOFC cell and stack.  Traditionally, the evaluation of SOFC materials has involved techniques such as x-ray diffraction and cross-sectional electron microscopy for structural properties (reference 3) and electrochemical impedance spectroscopy for charge conduction measurements (reference 4).  However, the ultimate development of economically viable SOFCs will require more advanced measurement techniques.

Grant applications are sought to develop innovative instrumentation and sensors to advance the scientific investigation of SOFC materials.  Some of the important materials parameters that require measurement include:  (1) depth and/or area resolved residual stress in a layered cell, (2) ionic vacancy distributions, (3) cracks and interfacial delaminations,  (4) porosity distributions and gradients; (5) ionic and electronic conductivity profiles; (6) catalytic activity distributions, (7) electrical conductivity and structural integrity of thin oxide films on metal interconnects, and (8) small area defect characterization (such as images of gas pinhole or electrical shorts in electrolyte layers).  Of particular interest are techniques and sensors that allow for in situ measurements; pre- and post-operation, non-destructive evaluation involving buried interfacial regions; and imaging techniques that can characterize spatial inhomogeneities with regard to charge transfer activity and transport, or its underlying functional materials properties.  For the latter, a connection between image data sets and finite element modeling approaches should be made apparent, with the ultimate goal of validating SOFC performance models (reference 5).  Grant applications also should demonstrate that the instrumentation and sensors, though focused on basic materials science, will have relevance to developers and manufacturers of optimized SOFCs.

References:

Subtopic a:  Hydrogen Fuels and Technologies

1.      National Hydrogen Energy Roadmap:  Production, Delivery, Storage, Conversion, Applications, Public Education and Outreach, U.S. Department of Energy (DOE), November 2002.  (Full text available at:  www.eere.energy.gov/hydrogenandfuelcells/pdfs/national_h2_roadmap.pdf)  

2.      Hydrogen and Other Clean Fuels, U.S. DOE, Office of Fossil Energy, 2003.  (Available at:  http://www.fossil.energy.gov/programs/fuels/)  

3.      Song, C., “Fuel Processing for Low-Temperature and High-Temperature Fuel Cells – Challenges, and Opportunities for Sustainable Development in the 21st Century,” Catalysis Today, 77:17-49, 2002  

4.      Elam, C. C., et al., “Realizing the Hydrogen Future:  The International Energy Agency’s Efforts to Advance Hydrogen Energy Technologies,” International Journal of Hydrogen Energy, 28:601-607, 2003.  

5.      Gardner, T. H., et al., “Fuel Processor Integrated H2S Catalytic Partial Oxidation Technology for Sulfur Removal in Fuel Cell Power Plants,” Fuel, 81:2157-2166, 2002.  

6.      Swartz, S. L, et al., “Fuel Processing Catalysts Based on Nanoscale Ceria,” Fuel Cells Bulletin, 4(30):7-10, March 2001.  (For ordering information and to view abstract, see:  www.sciencedirect.com/science/journal/14642859)  

Subtopic b:  Small Scale Continuous Hydrogen Generator as a Fuel Source for Power Units  

7.      Werth, J., (Inventor), Fuel cell using an aqueous hydrogen-generating process.  (U.S. Patent No. 6093501 of 7/25/2000 ) (For more information see USPTO Patent Full-Text and Full-Page Image Databases:  www.uspto.gov/patft/index.html)  

8.      O’Brien, J. P., Gas Turbines for Automotive Use, Noyes Publications, June 1980.  (Out of print. ASIN: 0815507860)  

9.      Institute of Gas Technology, Development of the Steam-Iron System for Production of Hydrogen for the Hygas Process, U.S. Energy R&D Administration, October 1977. (Report No. FE-1518-46) (Available from NTIS.  See Solicitation Information and Guidelines, section 7.1)  

10.  Heffel, James W., “NOx emission and performance data for a hydrogen fueled internal combustion engine at 1500 rpm using exhaust gas recirculation,” International Journal of Hydrogen Energy, 28 (8):901-908, August 2003.  (ISSN: 0360-3199)  

Subtopic c:  Biogeochemical Carbon Sequestration/Conversion  

11.  Beecy, D. J., et al., “Biogenic Methane:  A Long-Term CO2 Recycle Concept,” presented at the First National Conference on Carbon Sequestration, Session 5A, May 14-17, 2001 .  (Available at http://www.netl.doe.gov.  On site menu at left, select “Publications.”  In listing under Conferences, select First National Conference….  Under “Papers and Presentations” select “Session 5A,” and then “Biogenic Methane….”)  

12.  Koide, H., “Prospect of Geological Sequestration for Greenhouse Gas Mitigation and Natural Gas Recovery,” International Journal of the Society of Materials Engineering for Resources, 7(1), 1999.  

13.  Schoell, M., “Multiple Origins of Methane in the Earth,” Chemical Geology, 71:1-10, 1988.  

14.  Rice, D. D. and Claypool, G. E., “Generation, Accumulation, and Resource Potential of Biogenic Gas,” American Association of Petroleum Geologists Bulletin, 65:5-25, 1981.  

15.  Scott, A. R., “Improving Coal Gas Recovery with Microbially Enhanced Coalbed Methane,” Coalbed Methane:  Scientific, Environmental, and Economic Evaluations, pp. 89-111, July 1999.  (ISBN: 0792356985)  

16.  Wolfe, R. S., “1776-1996:  Alessandro Volta’s Combustible Air,” ASM News (American Society for Microbiology), 62(10):529-534, October 1996.  (ISSN: 0044-7897)  

17.  Putting Carbon Back in the Ground, IEA Greenhouse Gas R&D Programme Report, February 2001.  (ISBN: 1-898373-28-0)  

18.  Stevens, S. and Gale, J., “Geologic CO2 Sequestration,” Oil and Gas Journal, 98(20):40-44, May 15, 2000. (ISSN: 0030-1388)  

19.  Bond, G. M., et al., “Enzymatic Catalysis and CO2 Sequestration,” World Resource Review, 11(4):603-619, 1999.  (ISSN 1042-8011)  

Subtopic d:  Instrumentation and Sensors for SOFC Materials Science  

20.  Minh, N. Q. and Takahashi, T., Science and Technology of Ceramic Fuel Cells, Amsterdam :  Elsevier, 1995.  (ISBN 0-444-89568-X)  

21.  Solid State Energy Conversion Alliance, National Energy Technology Laboratory/Pacific Northwest National Laboratory, www.seca.doe.gov/  

22.  Bai, W., et al., “The Process, Structure and Performance of Pen Cells for the Intermediate Temperature SOFCS,” Solid State Ionics, 113-115(1-4):259-263, December 1, 1998.  (ISSN: 0167-2738) (For ordering information or to view abstract, see:  www.elsevier.com/gej-ng//10/40/37/46/21/56/abstract.html)  

23.  Hu, H., et al., “Interfacial Studies of Solid-State Cells, Based on Electrolytes of Mixed Ionic-Electronic Conductors,” Solid State Ionics, 109(3-4):259-272, 1998.  (ISSN: 0167-2738) (For ordering information or to view abstract, see:  www.elsevier.com/gej-ng//10/40/37/41/22/30/abstract.html)  

24.  Herbstritt, D., et al., “Modelling and DC-polarisation of a three dimensional electrode/electrolyte interface,” Journal of the European Ceramics Society, 21(10-11):1813-1816, 2001.  (ISSN: 0955-2219) (For ordering information or to view abstract see:  www.elsevier.com/gej-ng//10/25/37/42/39/144/abstract.html  

 

30. NEUTRON AND ELECTRON BEAM INSTRUMENTATION

The Department of Energy supports a number of large-scale, national user facilities that provide intense beams of neutrons and electrons for the characterization of materials.  Grant applications are sought only in the following subtopics:

a.  Neutron Facilities - As a unique and increasingly utilized research tool, neutrons have made invaluable contributions to the physical, chemical, and biological sciences.  The Department is committed to enhancing the operation and instrumentation of its present and future neutron science facilities so that their full potential is realized.

Grant applications are sought to develop improved neutron detectors and associated electronics needed for DOE’s existing and proposed steady-state and pulsed neutron scattering facilities (References 1-2, 5).  New detectors must represent substantial improvements in one or more of the following parameters: efficiency at short wavelengths, high counting rate capability, high spatial resolution in one or two dimensions, cost per unit area, or adaptability to unique geometries.  Detectors for pulsed neutron applications must be able to identify the time of arrival of each neutron.  All detectors must have low intrinsic dark count rates and low sensitivity to gamma radiation.

Grant applications are also sought to develop novel or improved neutron optical components for use in neutron scattering instruments (References 2-3, 5).  Such components include, but are not limited to, neutron choppers, neutron guides, neutron lenses and focusing mirrors, neutron monochromators, or neutron polarization devices including 3He polarizing filters.  Applications are also sought for novel use of such components in neutron scattering instruments.

b.  Electron Beam Microcharacterization Facilities - The Department of Energy supports four collaborative research centers for electron beam microcharacterization of materials.  These tools are important in the materials and biological sciences and are used in numerous research projects funded by the Department.  Innovative instrumentation developments offer the promise of radically improving the capabilities of electron beam microcharacterization and thereby stimulate new innovations in materials science.  Grant applications submitted to this subtopic must address improvements in electron beam instrumentation capabilities beyond the present state-of-the-art.

Grant applications are sought to develop stages, holders, and/or detectors with new capabilities for quantifying data and collection efficiency in electron beam instruments.  Areas of interest include:  (1) extremely stable holders and stages that allow long exposure/analysis times, with accurate tilting and alignment capability (to an angle accuracy ±0.005 degrees on two axes while maintaining eucentricity to within 20 nm); (2) fast CCD camera systems that allow electron imaging exposure times in the millisecond range and kHz frame rates; (3) high sensitivity electron imaging systems based on CCD technology that provide 16 bit dynamic range or better over large areas; and (4) improved electron and x-ray detectors that are robust and not susceptible to electron beam damage.  Proposed approaches for electron detectors must show suitability for either low- or high-energy electrons, and address one or more of the following three aspects:  high quantum efficiency, high spatial resolution, and high temporal resolution.  Proposed approaches for x-ray detectors should show significant improvement in sensitivity or spectral resolution for elemental analysis in electron microscopes.

Grant applications are also sought to develop stages and holders with new capabilities for in situ experiments or sample manipulation in the transmission electron microscope.  Stages and/or holders must provide for one or more of the following:  (1) application of magnetic field up to 5000 Oe in the plane of the specimen, with capability to rotate field orientation in the specimen plane with respect to the sample;  (2) manipulation or measurement of the sample using a 4-probe nanomanipulator, including capability to measure deflection or strain, or capability to apply electric fields or current; and (3) precision control of specimen temperature (to an accuracy of 10oC in the range 5-2000K), ambient gas pressure and flow rate (to within several percent for each), and alignment (to an angle accuracy ±0.005 degrees on two axes).

Grant applications are also sought to develop electron sources for scanning transmission electron microscopy with brightness on the order 109 Amp/cm2/steradian or higher.  Current sources are based on tungsten emitters, and it is hoped that higher brightness can be achieved with new materials and designs.  Proposed electron sources must be suitably robust for practical applications, have long lifetimes (greater than 6 months), and offer a significant increase in brightness over existing sources.

Grant applications are also sought for systems for automated data collection, processing, and quantification.  Systems should include hardware and platform-independent software for data collection and visualization, including automated measurement and mapping of crystallography, internal magnetic or electric field, or strain, and for multi-spectral analysis.  Software and quantification routines for image reconstruction and for interpretation of interference patterns/holography are encouraged.

Finally, grant applications are sought for extremely stable power supplies to improve lens stability in electron beam instruments.  Power supplies should be capable of producing 15 amperes with current stability exceeding 0.1 ppm, or 5 amperes with current stability exceeding 0.05 ppm, and should exhibit voltage stability of 0.1 ppm in the range of 1 kV to 200kV.

References:

Subtopic a:  Neutron Facilities

1.      Anderson, I. S. and Guerard, B., eds., Advances in Neutron Scattering Instrumentation, San Diego, CA, July 7-8, 2002, Proceedings of the SPIE (International Society for Optical Engineering), Vol. 4785, Bellingham, WA:  SPIE, 2002. (ISBN: 0819445525)  

2.      Carpenter, J. M., et al., eds., Neutrons, X-Rays, and Gamma Rays:  Imaging Detectors, Material Characterization Techniques, and Applications, San Diego, CA, July 21-22, 1992, Proceedings of the SPIE, Vol. 1737, Bellingham, WA:  SPIE, 1993.  (ISBN: 0819409103)  

3.      Majkrzak C. F. and Wood, J. L., eds., Neutron Optical Devices and Applications, San Diego, CA, July 22-24, 1992, Proceedings of the SPIE, Vol. 1738, Bellingham, WA:  SPIE, 1992.  (ISBN: 0819409111)  

4.      Majkrzak, C., ed., Thin-Film Neutron Optical Devices: Mirrors, Supermirrors, Multilayer Monochromators, Polarizers, and Beam Guides, San Diego, CA, August 16-17, 1988, Proceedings of the SPIE, Vol. 983, Bellingham, WA:  SPIE, 1989.  (ISBN: 0819400181)  

5.      Technology and Science at a High-Power Spallation Source:  Proceedings of a Workshop Held at Argonne National Laboratory, Argonne, IL, May 13-16, 1993, Argonne National Laboratory, 1993.  (Report No. ANL/IPNS/PROC-81937) (NTIS Order No. DE94009685) (See Solicitation General Information and Guidelines, section 7.1.)

6.      Wilpert, T., ed., International Workshop on Position-Sensitive Neutron Detectors:  Status and Perspectives, Hahn-Meitner-Institute, Berlin, Germany, June 28-30, 2001.  (URL: www.hmi.de/bensc/psnd2001)

7.      Windsor, C. G., Pulsed Neutron Scattering, London:  Taylor & Francis, 1981.  (ISBN: 0-85066-195-1)  

Subtopic b:  Electron Beam Microcharacterization Facilities  

8.      Proceedings of the Microscopy Society of America, Annual Meetings, Springer-Verlag New York, Inc.  (Printed version ISSN: 1431-9276) (Electronic version ISSN: 1435-8115)  

9.      Ultramicroscopy, 78(1-4), Elsevier-Holland, June 1999.  (ISSN: 0304-3991)  

10.  Williams, D. B. and Carter, C. B., Transmission Electron Microscopy:  A Textbook for Materials Science, Vols. 1-4, Plenum Publishing Corp., New York-London, 1996.  (ISBN: 0-306-45247-2)  

11.  Aberration Correction in Electron Microscopy:  Materials Research in an Aberration-Free Environment, Argonne National Laboratory, July 18-20, 2000, Workshop Report, U.S. DOE Argonne National Laboratory, Materials Science Division, October 1, 2001 .  (Full text available at:  http://ncem.lbl.gov/team/TEAM%20Report%202000.pdf)  

12.  Report:  Second TEAM [Transmission Electron Aberration-corrected Microscopy] Workshop:  Materials Research in an Aberration-Free Environment, Lawrence Berkeley National Laboratory, July 18-19, 2002.  (Full text available at:  http://ncem.lbl.gov/team/TEAM%20Report%202002.pdf)  

 

31. ENERGY STORAGE TECHNOLOGIES FOR ELECTRIC AND HYBRID VEHICLES

The commercial use of electric and hybrid electric vehicle technologies has been limited by the performance and excessive costs of power sources and storage devices.  In conjunction with the Office of Basic Energy Sciences, the Office of Energy Efficiency and Renewable Energy is interested in identifying and developing innovative concepts for advanced energy storage devices (batteries) that will improve the performance, extend the life, and significantly reduce the cost of the vehicles.

Battery-powered electric vehicles (EVs) require energy storage devices with high energy density, and hybrid electric vehicles (HEVs) require devices that can deliver high power pulses.  Advanced hybrids may require devices that both store significant energy and can deliver high power pulses.  All of these devices must be able to accept high power recharging pulses from regenerative braking.  For high energy density systems, the goal is to develop cells that provide at least 200 Watt-hours/kg (Wh/kg), 400 Wh/l, 400 W/kg, and 800 W/l; have a life of 1000 cycles at 80 percent depth of discharge; and have a calendar life of at least 10 years.  For high power applications, the goal is to develop cells that provide peak power of 1500 W/kg or greater, have a cycle life of at least 300,000 shallow cycles, and have a calendar life of 15 years.  For all systems, materials to be utilized should be plentiful, have low cost (< $10/kg), be environmentally benign, and be easily recycled.  Evaluation of the technology with regard to the above criteria should be performed in accordance with applicable U.S. Advanced Battery Consortium test procedures or Society of Automotive Engineers recommended practices (see references that follow).

Grant applications must show how proposed innovations would result in significant advances in performance and cost reduction over state-of-the-art technologies.  Grant applications are sought only in the following subtopics:

a.   Technologies that Facilitate the Use of a Lithium Metal Anode in a Rechargeable Battery – The use of lithium metal as the anode (negative electrode) in a rechargeable battery offers advantages over lithium-ion systems; these potential advantages include lower cost, higher energy density, and the option of using positive electrode materials that do not have to be pre-lithiated.  Unfortunately, multiple discharges and recharges of a lithium electrode can result in the growth of metal dendrites and the formation of finely divided lithium particles.  These phenomena limit the life and compromise the safety of any battery incorporating such an electrode.  Therefore, grant applications are sought to develop novel technologies, such as (but not limited to) interfacial materials or electrolytes, that will allow the use of a lithium metal anode in a rechargeable battery that meets the cycle and calendar life requirements associated with vehicular use. Grant applications must address the theoretical basis of the proposed R&D effort, the probable cost of using the technology in vehicular batteries, and the impact of the technology on other performance parameters such as power capability – technologies that adversely affect the performance of other parameters are not likely to be adopted.  The proposed approach must be evaluated by cycling a lithium/lithium cell in Phase I, with full electrochemical cells containing a lithium electrode developed in Phase II.  (References 2 and 3 are particularly applicable to this issue.)

b.   Novel Electrochemical Couples for Advanced Batteries - New electrochemical couples offer the potential to overcome the limitations of current electrochemical systems, and to provide high-specific energy, long-life, and low-cost alternatives.  Grant applications are sought to develop and demonstrate novel rechargeable couples that meet the criteria described in the introduction to this topic.  Rechargeable battery couples that incorporate anodic active materials such as aluminum or magnesium are of particular interest because of their potential use in high-performance, non-aqueous batteries for electric and hybrid vehicles.  Areas of interest include (1) the synthesis and/or characterization of ionic conducting polymers and gel electrolytes that can transport polyvalent ions; (2) development of electrolytes that are capable of conducting alkaline earth, other divalent cations, and trivalent transition metal ions; (3) development of cathodes composed of intercalation compounds that allow the rapid diffusion of polyvalent ions; and (4) development of novel non-lithium couples that do not involve a polyvalent species.  In addition, grant applications related to novel, non-lithium couples that do not involve the movement of metal ions from the negative to the positive electrode are also of interest.  Proposed approaches must be demonstrated in full electrochemical cells of at least 0.2 Ampere-hour in size.  Reference 8 is one of many articles on this subtopic.

c. Technologies to Improve the Tolerance of Lithium-Ion Cells and Batteries to Abusive Overcharge – High energy and high power lithium-ion cells and batteries may be subject to inadvertent, abusive overcharge if the battery’s charging control mechanism fails.  Depending upon the failure mode, cells may experience charging voltages that exceed the design specification by as little as 100 millivolts or up to many volts.  Even low levels of overcharge have been shown to make a cell more susceptible to thermal runaway.  More extreme overcharge can produce rapid events such as venting with smoke and flames. Grant applications are sought to develop novel methods of improving the tolerance of lithium-ion cells to overcharge.  Improvements must be demonstrated in cells of at least 0.2 Ampere-hour in size.  Grant applications may focus on changes in one or more of a cell’s basic components (anode, electrolyte, separator, and cathode), or on materials added to a “standard” cell.  Any standard, commercially available lithium-ion cell, suitable for vehicular use, may be used as the basis for the changes/improvements.  (Note:  some commercially available cells are not suitable for vehicular use because they contain costly components, operate only at low rates, have relatively limited cycle or calendar lives, etc.)  Investigators that do not have access to specific information about the components of commercially available cells may use the specifications published by the Advanced Technology Development Program for its Generation 1 and Generation 2 cells as a starting point (see references 4 and 5).

Grant applications must be for novel research and development as defined in the introductory sections of this solicitation, provide a theoretical basis for the research, address the probable cost of using the technology in vehicular batteries, and address the impact of the technology on other performance parameters such as calendar life, power capability, and energy density – technologies that adversely affect these parameters are not likely to be adopted.

d. Non-carbonaceous Anode Materials for Lithium-Ion Batteries – Conventional lithium-ion cells use carbon-based materials for their anodes (negative electrodes).  The use of carbon in these cells does offer some advantages (e.g., a potential very near that of pure lithium), but disadvantages include an irreversible capacity loss on the first charge and limited capacity for lithium in terms of both weight and volume.  Grant applications are sought for the development of new materials (i.e., that are not a form of carbon) that can serve as the active component of the anodes of lithium ion cells.  Grant applications must address the probable cost of using the material in vehicular batteries and the impact of the technology on other performance parameters such as calendar life, power capability, and energy density – technologies that adversely affect these parameters without commensurate benefits are not likely to be adopted.  The novel materials must be demonstrated in full electrochemical cells of at least 0.2 Ampere-hour in size.  Compatibility of the new anode material with other cell components (electrolyte, separator, and positive electrode material) must be demonstrated.  (For this purpose, investigators may choose components described by the Advanced Technology Development Program for its Generation 2 cells (see references 4 and 5) or choose other components.)

References:

Please note:  Paper copies of these references not available in the open literature or from NTIS.  They may be obtained by addressing a request to Mr. Irwin Weinstock, Senior Engineer, Sentech, Inc., 4733 Bethesda Ave., Suite 608, Bethesda, MD 20814.  Where available, locations of the documents on the Internet are given.

1.      Links to the following manuals are all available at:  http://ev.inel.gov/battery.  These documents provide a good general basis for understanding the performance requirements for electric and hybrid electric vehicle energy storage devices.
· 
FreedomCAR 42V Battery Test Manual
·  FreedomCAR Battery Test Manual for Power Assist Hybrid Electric Vehicles
·  PNGV Battery Test Manual,  Revision 3
·  Electric Vehicle Capacitor Test Procedures
·  USABC Electric Vehicle Battery Test Procedure Manual, Revision 2

2.      The internet site for the Batteries for Advanced Transportation Technologies (BATT) program at http://berc.lbl.gov/BATT/BATT.html includes quarterly and annual reports.  This program addresses many long-term issues related to lithium batteries, including new materials and basic issues related to abuse tolerance.

3.      Zhou, J., et al., “Interfacial Stability Between Lithium and Fumed Silica-Based Composite Electrolytes,” Journal of the Electrochemical Society, 149(9):A1121-A1126, 2002. (Addresses issues related to the formation of Li dendrites.) (ISSN: 0013-4651) (Available via Electrochemical Society Web site at:  http://ojps.aip.org/JES/?jsessionid=2984621059489204943 .  On menu at left, select “Browse all JES issues,” and then “Volume 149.”  Scroll down to September 2002, Issue 9, and select either TOC, from which you may access article.) 

References 4 and 5 discuss issues related to more mature, high power, lithium-ion batteries.  They include information about cell chemistries that have proven to be useful model systems for these applications along with discussions of issues related to abuse tolerance and cell life.

4.      FY 2000 Progress Report for the Advanced Technology Development Program, U.S. DOE, Office of Advanced Automotive Technologies, December 2000., http://www.cartech.doe.gov/pdfs/FC/97.pdf

5.      Advanced Technology Development (High-Power Battery ):  2001 Annual Progress Report, U.S. DOE, Office of Advanced Automotive Technologies, February 2002 http://www.cartech.doe.gov/pdfs/B/196.pdf

6.      Information about requirements for vehicular batteries, separators for lithium-ion batteries, and abuse testing can all be found at the USABC section of the USCAR internet site.  Go to http://www.USCAR.org; click on “Teams”; scroll down and click on “United States Advanced Battery Consortium (USABC)”.  This site provides a second source for many of the documents found at reference 1.

7.      The abuse test procedures, developed for FreedomCAR by Sandia National Laboratories may be accessed directly at:  http://www.uscar.org/consortia&teams/USABC/SAND99-0497%20USABC%20Safety%20Manual.pdf

8.      Amatucci, G. G., et al., “Polyvalent Intercalation Batteries, a Step into Next Generation Energy Storage,” presented at the 198th Meeting of the Electrochemical Society, Phoenix, AZ, October 22-27, 2000, Abstract No. 215, Meeting Abstracts, Vol. MA2000-2, Electrochemical Society, 2000.  (ISSN: 1091-8213) (Paper published under new title:  “Investigation of Yttrium and Polyvalent Ion Intercalation into Nanocrystalline Vanadium Oxide,” Journal of the Electrochemical Society, 148(8):A940-A950, 2001.  (ISSN: 0013-4651) (Available via Electrochemical Society Web site at:  http://ojps.aip.org/JES/?jsessionid=2984621059489204943 .  On menu at left, select “Browse all JES issues,” and then “Volume 148.”  Scroll down to August 2001, Issue 8, and select either TOC from which you may access article.)

 

  32. INNOVATIVE RESEARCH FOR THE HYDROGEN ECONOMY

Clean and secure forms of energy are needed to support sustainable economic growth while mitigating greenhouse gas emissions and impacts on air quality.  To address these challenges, the President’s National Energy Policy and the U.S. Department of Energy’s (DOE’s) Strategic Plan call for expanding the development of diverse domestic energy supplies.  In his February 28, 2003, State of the Union address, President Bush expressed a goal to reverse America’s growing dependence on foreign oil by developing commercially-viable, hydrogen-powered fuel cells to power automobiles, homes, and businesses with near-zero pollution or greenhouse gases.  The President’s new Hydrogen Fuel Initiative proposes to provide more than $1.2 billion in funding over the next five years to accelerate the development of the technologies and infrastructure necessary to achieve this goal.  Working with industry, the DOE has developed a national vision for moving toward a hydrogen economy.  To realize this vision, the U.S. must develop and demonstrate advanced technologies for hydrogen production, delivery, storage, and use.   This topic addresses two important concerns for the hydrogen economy:  the production of hydrogen from biomass and the utilization of Polymer Electrolyte Membrane (PEM) fuel cell technology.  Grant applications are sought only in the following subtopics:

a. Modification of Biomass Composition through Plant Science – One of the advantages of hydrogen is that it can be produced from a variety of feedstocks and process technologies.  Renewable biomass is an important potential feedstock because its use would be carbon-dioxide neutral relative to climate change concerns.  Ultimately, the ability to produce hydrogen from biomass competitively will require lower feedstock costs.  Examples of the desired traits of these feedstocks include increased yield, fast growth, less input requirements, and the ability to withstand stresses such as drought.  Currently there is a lack of understanding of plant biochemistry, as well as inadequate genomic and metabolic data on potential crops.  Grant applications are sought to further the understanding of the metabolic pathways for biomass crops and to modify these pathways in order to achieve step-change improvements in the above desired traits.  In addition, grant applications are sought to genetically engineer the introduction of process-active cellulases and/or hemicellulases into the cell walls of biomass feedstock crops in order to enable the low cost hydrolysis of biomass to sugars.

b. Hydrogen Fermentation – The fermentation of sugars produced from biomass is a biomass-based production option that has not been extensively explored.  This route to hydrogen production would be valuable because greenhouse gas emissions would be near zero.  A few micro-organisms have the capability to produce hydrogen through the fermentation of carbohydrate (sugar) feedstock.  However, known hydrogen production rates are far too low to be of practical interest.  Therefore, grant applications are sought to significantly increase the rate of hydrogen production by the micro-organism fermentation of sugars generated from biomass.

c. Fuel Cell System Coolants and Membranes – PEM fuel cell technology is under development for a variety of applications, including light-duty transportation, portable power, distributed generation, and auxiliary power units.  Much of this work is focused on cost reduction and performance enhancement to meet stringent targets for durability, specific power, power density, efficiency, and cost.  Further work is sought to address specific component needs that ultimately aid in the development of cost-effective fuel cell systems.  This subtopic address two of these needs:  improved coolants and lower cost membranes.

Grant applications are sought to develop improved fuel cell system coolants that operate at elevated temperature (120°C), have very low electrical conductivity (less than 2.0 microsiemens/cm), are compatible with other materials in the coolant loop, and are non-flammable (i.e., have a very high flash point).  In addition, the advanced fuel cell coolants also should have good thermo-physical properties (viscosity, heat capacity and thermal conductivity), a low freezing point (<-40°C), and low cost.

The high cost of the fluorinated polymers used to produce the membrane in PEM fuel cells is one of the major barriers to fuel cell commercialization.  Polymer electrolyte membranes typically are composed of poly (perfluorosulfonic) acid, and the synthesis of the polymer includes a costly fluorination step.  Grant applications are sought to develop novel membranes that are less than fully fluorinated, yet maintain high performance.  The new membrane must be able to tolerate an acidic environment, perform under standard operating conditions, and cost no more than $5/kW.

d. Innovative Fuel Cell Concepts - Typical PEM fuel cell configurations include multiple cells that are stacked to achieve adequate working voltages and are fueled by hydrogen and air.  Grant applications are sought to develop alternative, innovative PEM fuel cell configurations and concepts that address niche markets or employ unique technology that show promise for commercialization in the long-term.  Areas of research interest include but are not limited to applications from biotechnology, microtechnololgy, or nanotechnology; unique cell design; and alternative concepts for membrane conduction.  Proposed approaches should clearly demonstrate the potential benefits compared to conventional fuel cell technology.

References:

1.      The Vision and Technology Roadmap for Plant/Crop-Based Renewable Resources 2020, Renewables Vision 2020 Executive Steering Group, February 1999.  (Full text available at:  http://www.oit.doe.gov/agriculture/pdfs/technology_roadmap.pdf)  

2.      Vision for Bioenergy and Biobased Products in the United States, Biomass Research and Development Technical Advisory Committee, October 2002.  (Full text available at:  http://www.bioproducts-bioenergy.gov/pdfs/BioVision_03_Web.pdf)  

3.      Roadmap for Biomass Technologies in the United States, Biomass Research and Development Technical Advisory Committee, December 2002.  (Full text available at:  http://www.bioproducts-bioenergy.gov/pdfs/FinalBiomassRoadmap.pdf)  

4.      Himmel, M. E., et al., “Cellulases:  Structure, Function, and Applications,” Chapter 8, Handbook on Bioethanol:  Production and Utilization, pp. 143-161, Washington, DC:  Taylor & Francis, 1996.  (ISBN: 1560325534) (See also Cellulase Enzyme Research at:  http://www.ott.doe.gov/biofuels/cellulase.html)  

5.      Hardy, R. W. and Segelken, J. B., Agricultural Biotechnology:  Novel Products and New Partnerships, Report No. 8, Ithaca, NY:  National Agricultural Biotechnology Council, 1996.  (For more information see:  http://www.agbiotechnet.com/reports/nabc.asp#contents)  

6.      Tengerdy, R. P. and Szakács, G., “Perspectives in Agrobiotechnology,” Journal of Biotechnology, 66(2-3):91-99, December 1998.  (ISSN: 0168-1656) (Ordering information and abstract available at:  http://www.sciencedirect.com/science/journal/01681656)  

7.      Zechendorf, B., “Sustainable Development:  How Can Biotechnology Contribute?” Trends in Biotechnology, 17(6):219-225, June 1, 1999.  (ISSN: 0167-7799) (Ordering information and abstract available at:  http://www.sciencedirect.com/science/journal/01677799)  

8.      Wu, R., et al., “Molecular Genetics and Developmental Physiology:  Implications for Designing Better Forest Crops,” Critical Reviews in Plant Sciences, 19(5):377-393, 2000.  (ISSN: 0735-2689) (Ordering information and abstract available at:  http://www.sciencedirect.com/science/journal/07352689)  

9.      Zaborsky, O. R., ed., Biohydrogen, New York:  Plenum Press, 1998.  (ISBN: 0-306-46057-2) (See also:  Das, D. and Veziroglu, N., “Hydrogen production by biological processes:  a survey of literature,” International Journal of Hydrogen Energy, 26(1):13-28, 2001.  ISSN: 03603199)  

10.  National Hydrogen Energy Roadmap, U.S. Department of Energy, November 2002.  (Full text available at:  http://www.eere.energy.gov/hydrogenandfuelcells )  

11.  Hydrogen, Fuel Cells & Infrastructure Technologies Program: Multi-Year Research, Development and Demonstration Plan, June 3, 2003, Draft, U.S. DOE Office of Energy Efficiency and Renewable Energy.  (Full text available at:  http://www.eere.energy.gov/hydrogenandfuelcells/mypp) (Final version scheduled for release in October 2003)  

12.  FY 2002 Progress Report for Hydrogen, Fuel Cells, & Infrastructure Technologies Program, U.S. DOE Office of Energy Efficiency and Renewable Energy, November 2002.  (Full text available at:  http://www.eere.energy.gov/hydrogenandfuelcells/annual_report.html)  

 

  33. NANOTECHNOLOGY APPLICATIONS IN INDUSTRIAL CHEMISTRY

The U.S. chemical industry is poised to apply many of the recent discoveries in nanotechnology, undertaken at universities and national laboratories, which may have an important influence on the manufacture and uses of chemicals and materials.  In this topic, small businesses are encouraged to take advantage of these discoveries by conducting further R&D, leading to marketable products of importance to the U.S. chemical industry.   The subtopic areas focus on nanomaterials research in catalysis, on polymers and polymer manufacture, on composite materials, and on new materials with special properties that mimic properties of living organisms (i.e., “biomimetics” applications).  Grant applications must demonstrate a significant energy benefit, either from saving energy in manufacture, conserving materials, or providing longer life in applications.   Grant applications also must demonstrate how these nanotechnology innovations will be introduced into the marketplace in conjunction with major chemical companies that have capabilities for widespread technology implementation and manufacturing.   Grant applications are sought only in the following subtopics:

a.  Nanomaterials with Catalytic Activity - Recent discoveries suggest that some materials with nanosized features may exhibit novel heterogeneous catalytic activity.  Grant applications are sought to develop new nanoscale materials with catalytic properties.  Chemical transformations of interest include, but are not limited to isomerizations, halogenations, oxidations, reductions, stereospecific transformations, or combinations of these.  Proposed approaches must demonstrate that (1) the materials exhibit catalytic behavior only when their functional properties are imparted at the nanoscale, and (2) the intended products of the chemical reactions have commercial value.  Partnership with chemical companies that have the manufacturing capabilities needed to bring the technology to widespread commercial application is strongly encouraged.

b.  New Nanoscale Polymer Materials, Polymer Composites, and Polymer Processes - Recent research has shown that polymer materials with controlled nanocrystalline features may exhibit special or new properties that are not exhibited otherwise when the polymer material’s nanosize features are not controlled.  Furthermore, a composite material comprising both polymers and nanosize organic or inorganic substances could exhibit useful properties that are not exhibited by the polymer alone.  Grant applications are sought to develop novel polymer processes with the potential to control features of the polymer at the nanoscale, resulting in polymer materials that have properties unmatched by any other materials.  (Examples of such naturally occurring processes include the spinning of a web by a spider or the clotting of blood.)  Grant applications should (1) address commercial applications or markets for proposed approaches, (2) demonstrate a careful review of the relevant scientific literature, and (3) address possibilities for forming partnerships with industrial chemical companies willing to assist in the development and application of the technology. 

c.  Development of Materials with Structure or Function Derived from Analogy with Properties Exhibited by Living Systems (“Biomimetics”) - Grant applications are sought to develop materials that, due to the nanoscale features of the material, mimic some of the remarkable properties exhibited by living organisms.   Such properties include self-repair, unusual hardness or strength or both, novel optical or electromagnetic behavior, or unusual transport properties for heat or mass.  Grant applications must identify:  (1) the novel biomimetic features to be developed; (2) the basis in nanoscience for the proposed materials development; (3) reasonable commercial applications for the new materials, and how these applications would save energy or materials or both in their intended use; and (4) a chemical industry partner that would participate in the development of the materials and that has the manufacturing capability to bring the materials to the marketplace. 

d.  Nanomaterials and Specialty Products Chemistry - In addition to the catalysts sought in subtopic a above, grant applications are sought to develop new products, based on nanoscience and nanotechnology, for use in specialty chemicals markets.  These products include adhesives, antoxidants, biocides, corrosion inhibitors, dyes, flame retardants, flavorings and fragrances, specialty coatings, surfactants, and water-soluble polymers.  Grant applicants must identify (1) specialty chemicals markets that will use the new materials, (2) energy benefits to be obtained from using the new materials, (3) the basis in nanoscience for the properties of the new materials, and (4) a specialty chemicals manufacturer that is prepared to assist in the commercialization of new materials technology.

References:

1.      Siegel, R. W., et al., eds., Nanostructure Science and Technology:  A Worldwide Study, prepared under guidance of NSTC/CT and IWGN, Baltimore, MD:  Loyola College, September 1999.  (Full text available via WTEC Web site at:  http://www.wtec.org/loyola/nano/final/ )   

2.      National Nanotechnology Initiative: Leading to the Next Industrial Revolution, Supplement to President's FY 2001 Budget, NSTC/IWGN Report, February 2000.  (Full text available via OSTI Web site:  http://www.ostp.gov/NSTC/html/iwgn/iwgn.fy01budsuppl/nni.pdf )  

3.      Roco, M. C., et al., eds., Nanotechnology Research Directions: IWGN Workshop Report. Vision for Nanotechnology Research and Development in the Next Decade, prepared under guidance of NSTC/CT, Baltimore, MD:  Loyola College, September 1999.  (Full text available at:  http://www.sc.doe.gov/production/bes/IWGN.Research.Directions/welcome.htm)  

4.      Nanomaterials and the Chemical Industry R&D Roadmap Workshop:  Preliminary Results, sponsored by Vision 2020, NNI, and U.S. DOE Industrial Materials and Chemicals Program, October 2002.  (Full text available at:  (http://www.energetics.com/download/chemvision2020/nanomaterialsroadmap/nano_workshop_results_report.pdf)  

5.      Roco, M. C. and Bainbridge, W. S., eds., Societal Implications of Nanoscience and Nanotechnology, Final Report on Nanoscale Science, Engineering, and Technology Workshop held September 28-29, 2000, Arlington, VA: National Science Foundation, March 2001.  (Full text available at:  http://wtec.org/loyola/nano/NSET.Societal.Implications/)  

 

34. REACTIVE SEPARATIONS

Reactive separations utilize close coupling of separation and chemical reactor systems, often in a single unit, to improve the yield of the reaction, the production of desired products, and/or to lower energy consumption and capital investment.  Reactive separation systems may take many forms and may not resemble conventional chemical reactors and separations equipment.  Reactors could be catalytic or homogeneous, continuous or batch.  Any separation method could be used including adsorption, distillation, or extraction.  A simple example of a reactive separation is a tubular reactor that utilizes a selective membrane tube filled with catalyst.  The membrane selectively permeates a desired reaction product, and the removal of that product along the reactor length continuously shifts the chemical equilibrium among the potential products and reactants, increasing both the utilization of reactants and the production of the desired product.

Improvements from combining separations and chemical reactor operations can be substantial.  In conventional systems, the yields of desired products are often limited by the equilibrium constant, and a product's concentration is usually determined by a thermodynamic equilibrium distribution of products and reactants.  By combining a reactor with a separation operation that removes the most desired product, as in the above example, the utilization of reactants can be improved, and the reaction can provide significantly higher yields of the most desired product.  Energy savings can also be realized when products from one reaction step can be separated and used as reactants in a second reaction step.  When one reaction step is exothermic and the other reaction is endothermic, the energy from the exothermic reaction can be used to drive the endothermic reaction.

Unfortunately, effective reactive separation systems usually are highly system-specific, and particular combinations of separation and reactive systems are required for each potential application.  For numerous low yield systems, no effective reactive separation systems are likely to be found.  (Part of the difficulty is that reactive separation systems not only must include both reactor and separation capabilities, but also both functions must take place at approximately the same temperature and pressure, at least if they are to be incorporated in the same equipment.)  Therefore, each grant application must identify a particular application -- one with the potential for large savings of energy and materials, and/or for significant reduction in waste products.  Grant applications targeting new and/or improved processing of radioactive wastes (i.e. high level waste, spent nuclear fuel, low level wastes, etc.) will not be considered under this topic.  Also, grant applications aimed at demonstrating reactive separation systems that have been studied extensively in the past, or those limited to testing a particular system under a specific set of conditions, are not of interest and will be declined. 

Proposed efforts should not only be innovative but also should seek to understand the dynamics of the reactive separation system.  Grant applications must explain how or why the proposed reactive separation concept would result in improved raw material utilization (reactor yield) and energy savings compared to current (or currently proposed) approaches to producing the target products.  Grant applications should also address the likelihood of further development or commercialization beyond Phases I and II (e.g., by identifying particular industries, government agencies, or even companies, that not only would benefit from the technology development but also may contribute follow-on funding).  Grant applications are sought only in the following subtopics:

a.  Reactive Distillation - Forty thousand distillation columns are used today in manufacturing 90 to 95 percent of all products in the continuous process industries.  Advances in distillation could increase productivity, reduce costs, enhance product purity, and increase overall energy efficiency.  Reactive distillation offers the possibility of reducing capital costs by combining reaction and distillation in one process step.  The best candidate reactions involve reversible exothermic reactions with favorable kinetics at temperatures of separation.  Several reactive distillation processes for the preparation of ethers, such as ethyl tert-butyl ether (ETBE) and tert-amyl methyl ether (TAME), have been commercialized already, and efforts to broaden the application of reactive distillation to other reaction systems have begun.  However, the advantages of reactive distillation can be off-set by kinetics, equilibrium, and mass transfer issues; catalyst placement; and the compatibility of separation and reaction conditions for a given system.  Grant applications are sought to adopt the reactive distillation process to other reversible exothermic reaction systems to improve energy efficiency and product yield.  Proposed efforts must provide an understanding of process fundamentals and show how and why the above technical barriers will be overcome.

b.  Membrane Reactors - Membrane reactors have been proposed in a variety of configurations employing polymeric, ceramic, metallic, or liquid membranes for coupling and combining process reactions and separations.  The membrane reactors can improve process performance through equilibrium shifts, reducing product inhibition, the use of catalyst activated membranes, etc.  However, to be competitive with conventional technologies, membrane reactors must be shown to have superior economics (e.g., reduced material and energy intensity, lowered pollutant dispersion) over a full life cycle.  Grant applications are sought to develop improved membrane reactors for particular applications with outstanding economics compared to existing technology.  Proposed efforts must include the development of membrane reactor materials with improved reliability and performance (e.g., better selectivity, permeability, stability) as well as the development of unique approaches for engineering the membrane contacting devices.  Grant applications that simply apply membrane technology to existing reactor processes are not of interest and will be declined; rather, proposed efforts must identify and exploit new, more efficient chemical pathways that membrane reactors would make possible. 

c.  Reactive Separations For Waste Reduction - Most industrial interest in reactive separations is due to the potential to increase product yields and improve the economics of a number of important synthesis processes.  However, the increased product yield also provides an opportunity for decreasing waste generation.  Grant applications are sought to develop reactive separation systems, other than reactive distillation and membrane reactors, which provide significant reductions in waste generation and pollutant dispersion.  Areas of interest include reductions in net CO2 production, solvent use, and the release of persistent, bio-accumulating, toxic materials into the environment.

References:

1.      Gonzalez, J. C. and Fair, J. R., “Preparation of Tertiary Amyl Alcohol in a Reactive Distillation Column. 1-Reaction Kinetics, Chemical Equilibrium, and Mass-Transfer Issues,” Industrial and Engineering Chemistry Research, 36(9):3833-3844, September 1997.  (ISSN 0888-5885)  

2.      Gonzalez, J. C., et al., “Preparation of Tert-Amyl Alcohol in a Reactive Distillation Column. 2-Experimental Demonstration and Simulation of Column Characteristics,” Industrial and Engineering Chemistry Research, 36(9):3845-3853, September 1997.  (ISSN 0888-5885)  

3.      Ho, W. W. and Sirkar, K. K., Membrane Handbook, Chapman & Hall, 1992.  (ISBN 0412988712)  

4.      Humphrey, J. L. and Keller, G. E., II, Separation Process Technology, McGraw-Hill, 1997.  (ISBN 0-07-0331173-0)  

5.      Preprints of the Topical Conference on Separation Science and Technologies, American Institute of Chemical Engineers (AIChE) Annual Meeting, Los Angeles, CA, November 17-19, 1997, New York:  AIChE, 1997.  (ISBN 0816999384)  

6.      Subawalla H., et al., “Capacity and Efficiency of Reactive Distillation Bale Packing: Modeling and Experimental Validation,” Industrial and Engineering Chemistry Research, 36(9):3821-3832, September 1997.  (ISSN 0888-5885)  

7.      Vision 2020:  2000 Separations Roadmap, New York:  AIChE, Waste Reduc