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FY 1984 Research in the Chemical Sciences B. S~~;1 * ~ :. ~.s ~ ~ lrr1.9~1L ; - S r~~ *~T~~ji LIIIIII;1, 'I ~LJ~S a a a~~~~~~~~~U Available from the National Technical Information Service U. S. Department of Commerce Springfield, Virginia 22161 Price: Printed Copy A07 Microfiche AO1 DOE/ER-0144/2 DE84016032 Distribution Category UC-4 Summaries of FY 1984 Research in the Chemical Sciences September 1984 U.S. Department of Energy Office of Energy Research Division of Chemical Sciences This report was compiled for the Office of Energy Research project from sum- maries contained in the Research-ln- Progress (RIP) data base of the Office of Scientific and Technical Information, Oak Ridge, Tennessee. The RIP data base describes new and ongoing energy and energy-related research projects carried out or sponsored by the Department of Energy. PREFACE The purpose of this publication is to inform those interested ized here is intended to add significantly to the knowledge in research supported by the Department of Energy's Division base on which successful energy technologies can grow. For of Chemical Sciences, which is one of six Divisions of the this purpose, scientific excellence is a major criterion applied Office of Basic Energy Sciences in the Office of Energy in the selection of research supported by the Division of Research. This year, Ior the first time, this publication shows Chemical Sciences. Another important consideration is the projects supported by that portion of the Nuclear Sciences emphasizing of chemical, physical, and chemical engineering budget which is administered by the Division of Chemical subdisciplines which are advancing in ways that produce new Sciences. information related to energy, needed energy data, or new These summaries provide to members of the scientific and ideas. technical public and interested persons in the legislative and distributed among several different kinds of executiveexecutive branches ofof the Government a means for becoming The programming organizations. is distributed About among half several the projectsdifferent take kinds place of About half the projects take place acquainted, eitheracquainted, generallyeither or in some depth, with the atperforming DOE laboratories, organizations. and half take place at universities and Chemical Sciences program. Areas of research supported by industrial laboratories. In DOE laboratories, most of the the Division are to be seen in the section headings, the index, researchers are fully engaged in this work, whereas most and the summaries themselves. Energy technologies that can u sity and industrial researchers necessarily divide their be advanced by use of the basic knowledge generated in this tie a n duties i li ts rese ar ,t (by reference) in time among duties ivolving this research, other research, program are provided in the index and also (by reference) in teaching responsibilities, etc. Thus about 70% of the funding ~~~~~~~~thesummaries. ^goes to Federal laboratories, 25% to the academic sector, and Chemists, physicists, chemical engineers, and others who are the remainder to industrial and nonprofit laboratories. considering the possibility of proposing research for support by this Division will find the publication useful for gauging Questions about the details of an individual project may be the scope of the present program in basic research and the directed to the investigators involved or the persons in charge relationship of their interests to the overall program. Pro- at DOE Laboratories (who are identified at appropriate posals that expand this scope will also be considered or places in this publication). Other questions about the program directed to more appropriate offices. The research summar- may be directed to the undersigned. Elliot S. Pierce, Director Division of Chemical Sciences Office of Basic Energy Sciences Chemical Sciences Division Office of Energy Research U. S. Department of Energy Washington, D.C. 20545 OFFICE OF THE DIVISION DIRECTOR Division Director Dr. Elliot S. Pierce (301) 353-5804 Secretary Mrs. Peggy Winpigler (301) 353-5804 FUNDAMENTAL INTERACTIONS BRANCH Branch Chief Dr. Richard J. Kandel (301) 353-5820 Secretary Mrs. Mary Brandenberg (301) 353-5820 Photochemical and Radiation Sciences Technical Manager Dr. Mary E. Gress (301) 353-5820 Chemical Physics Technical Manager Dr. Allan H. Laufer (301) 353-5820 Atomic Physics Technical Manager Dr. Joseph V. Martinez (301) 353-5820 PROCESS AND TECHNIQUES BRANCH Branch Chief Dr. F. Dee Stevenson (301) 353-5802 Secretary Mrs. Cathy Hanlin (301) 353-5802 Chemical Energy Technical Manager Dr. F. Dee Stevenson (301) 353-5802 Technical Manager Dr. John L. Burnett (301) 353-5804 Technical Manager Dr. Robert S. Marianelli (301) 353-5802 Technical Manager Dr. Robert P. Eischens* (301) 353-5802 Separations and Analysis Acting Technical Manager Dr. F. Dee Stevenson (301) 353-5802 Technical Manager Dr. John D. Lambt (301) 353-5802 Chemical Engineering Science Technical Manager Dr. F. Dee Stevenson (301) 353-5802 *On leave from Lehigh University. tOn leave from Brigham Young University. ii Each Branch of the Division of Chemical Sciences is divided ions, and simple molecules. Continued emphasis of this into programs which cover various disciplines. The following research has been on the understanding of relatively high summaries describe these programs. The staff members energy atomic physics that involves atoms stripped of all or responsible for each program are indicated on page ii. most all electrons and of atoms and ions in which electrons are located at upper energy levels. The study of processes that lead to the production of coherent radiation and of the statistical properties of this radiation as they modify elemen- Fundamental Interactions Branch (01- tary atomic physics processes also constitute part of this pro- gram. Photochemical and Radiation Sciences (01-01) The Photochemical and Radiation Sciences program consists of research into the interactions of radiation with matter in Processes and Techniques Branch (02- all forms but particularly with gases and liquids. The photo- chemical research is devoted largely to studies with visible Chemical Energy (02-01) radiation aimed at the capture and conversion of solar This program includes basic chemistry research related to energy. This encompasses such fields as artificial photosyn- chemical transformations or conversions which are fundamen- thesis, photoinduced electron transfer reactions in homoge- tal to new or existing concepts of energy production and neous and heterogeneous media, photoelectrochemistry, and storage. Of particular interest are those research activities photocatalysis. The radiation chemistry research is concerned with the objectives of understanding the chemical aspects of with the chemical effects produced by absorption of energy (I) catalysis, both heterogeneous and homogeneous, (2) the from ionizing radiation. A small part of the program is chemistry of fossil resources, particularly coal, including char- devoted to research in hot atom chemistry, i.e., the study of acterization and transformation, and (3) the conversion of the effects of nuclear decay and the consequent release of biomass and related cellulosic wastes. The disciplines of energy on chemical reactions. A new and growing program of organic, bio-, inorganic, physical, thermo-, and electro- photochemistry, spectroscopy, and related studies is centered chemistry are central to this program. The emphasis is on at the National Synchrotron Light Source at Brookhaven understanding the chemical principles underlying the new and National Laboratory. developing technologies and on innovative chemical research Chemical Physics (01-02) with potential for new energy concepts. The Chemical Physics program supports research in a diverse Separations and Analysis (02-02) set of disciplines with a goal of providing basic knowledge in areas related to the nation's energy needs. A significant por- improing or asi nerstaning of methos directe ara tion of the program is in the many-faceted area of chemical mixture o as esiuids sidsand thod r cseparati mixtures kinetics, including energy transfer, chemical dynamics involv- of gases,' liquids,s solids, and their component ing state-selected chemistry, unimolecular and biomolecular molecules, cations, aons, and isotopes. The program covers a bbroadro a d sspectrumect r um ooff separations concepts, including mem- research kinetics, as well as the reactions of clusters. p separations concepts, including mem- Research efforts in molecular structure, spectroscopy Research efforts in molecular structure, spectroscopy, and cbrane t processes,a extractionc at both standard pand supercriticali o conditions, adsorption, theoretical chemistry are also well represented in this pro- chromatography, photodissociation, tegrameia. ceityralo elrpene inhsr- complexation, etc. The program is technique oriented rather than species oriented; i.e., the research involves elucidating Special emphasis is placed on basic research related to fundamental chemical phenomena for improved separations combustion; advanced diagnostic methods, spectroscopy, rather than developing specific processes for the separation of theory, and the kinetics of elementary combustion reactions a particular species from particular matrices. The isotope are of special interest. A major user-oriented facility, the separation program emphasizes isotopic properties and isotope Combustion Research Facility (CRF) at Sandia effects and is basic in nature. Laboratories/Livermore is supported
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