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(I~ ~~ ~~~~~~I r~~~~~CI ~ ~ :: a * *~~ UTi 4I*r~ Available from the NTIS Energy Distribution Center P.O. Box 1300 Oak Ridge, Tennessee 37831 Price: Printed Copy A06 Microfiche A01 DOE/ER-0144/6 (DE88010147) September 1988 Distribution Categories UC-400 and UC-401 Summaries of FY 1988 Research in the Chemical Sciences U.S. Department of Energy Office of Energy Research Division of Chemical Sciences This report was compiled for the Office of Energy Research from project summaries con- tained 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. i / SUMMARIES OF FY 1988 RESEARCH PREFACE This summary book is published annually to provide advancing in ways that will produce new information information on research supported by the Department related to energy. of Energy's Division of Chemical Sciences, which is of Energy's Division of Chem ic al S cinces, which is The program takes place in several different kinds of one of six Divisions of the Office of Basic Energy Sci-organizations. performing organizations. About one-third of the ences in the Office of Energy Research. projects are at DOE laboratories and the rest mostly at These summaries provide the scientific and technical universities, with a small number of projects at indus- public, as well as the legislative and executive branches trial laboratories. In DOE laboratories, much of the of the Government, information, either generally or in research utilizes special unique facilities which, in some some depth, about the Chemical Sciences program. instances, are national user facilities. These are Areas of research supported are indicated in the section described in a separate section of this publication. headings, the "Selected Topics of General Interest" list, headings, the 'Selected Topics of General Intehrest list, For the first time, a separate section of this publication and the summaries themselves. Energy technologies includes summaries includes summaries of projects funded during FY 1988 that may be advanced by use of the basic knowledge by the Smal Bsiess Innovation Research by the Small Business Innovation Research (SBIR) generated in this program are included in the "Selected is Program Office in response to technical topicsc submit- Topics of General Interest" list and are often refer- enced in the summaries.summaries, ted by the Division of Chemical Sciences to the annual SBIR Solicitation. Scientists interested in proposing research for support will find the publication useful for gauging the scope of Questions about the details of an individual project the present basic research program and its relationship ma be directed to the instigators involved or the to their interests. Proposals that expand this scope mayn at DOE oratoes (who are identi- also be considered or directed to more appropriate fed at appropriate places in ths ublication). Other offices. The primary goal of the research summarized questions about the program may be directed to the here is to add significantly to the knowledge base on undersigned. which existing and future energy technologies can evolve. As a result, scientific excellence is a major cri- terion applied to the selection of research supported by Robert S. Marianelli, Director the Division of Chemical Sciences, but another impor- Division of Chemical Sciences tant consideration is emphasis on science that is Office of Basic Energy Sciences SUMMARIES OF FY 1988 RESEARCH / Chemical Sciences Division Office of Energy Research U. S. Department of Energy Washington, D. C. 20545 OFFICE OF THE DIVISION DIRECTOR Division Director Dr. Robert S. Marianelli (301) 353-5804 Secretary Mrs. Peggy Winpigler (301) 353-5804 Fundamental Interactions Branch Branch Chief Dr. Allan H. Laufer (301) 353-5820 Secretary Miss Melissa Hetzer (301) 353-5820 Photochemical and Radiation Sciences Technical Manager Dr. Mary E. Gress (301) 353-5820 Chemical Physics Technical Manager Dr. William H. Kirchhoff (301) 353-5820 Atomic Physics Technical Manager Dr. J. V. Martinez (301) 353-5820 Processes and Techniques Branch Branch Chief Dr. F. Dee Stevenson (301) 353-5802 Secretary Mrs. Sue Ellen Stottlemyer (301) 353-5802 Chemical Energy Technical Manager Dr. Stephen A. Butter (301) 353-5802 Technical Manager Dr. John L. Burnett (301) 353-5804 Separations and Analysis Technical Manager Dr. F. Dee Stevenson (301) 353-5802 Technical Manager Dr. Roland F. Hirsch* (301) 353-5802 Chemical Engineering Science Technical Manager Dr. F. Dee Stevenson (301) 353-5802 Heavy Element Chemistry Technical Manager Dr. John L. Burnett (301) 353-5804 *On leave from Seton Hall University. iii / SUMMARIES OF FY 1988 RESEARCH Each Branch of the Division of Chemical Sciences is atom and atomic ion structures, energy levels and life- divided into programs which cover various disciplines. times of quantum states, and of transport and exchange The following summaries describe these programs. The processes characterizing transfer of energy and momen- staff members responsible for each program are indi- tur. These studies strive to obtain the most accurate cated on page ii. and complete fundamental knowledge of the properties and interactions of photons, electrons, atoms, and ions. Fundamental Interactions Branch (KC-03-01-) Continued emphasis of this research is on the under- standing of relatively high energy atomic physics that Photochemical and Radiation Sciences (KC-03-01-01) involves atoms stripped of all or most all electrons and The Photochemical and Radiation S s program of atoms and ions in which electrons are promoted to The Photochemical and Radiation Sciences program consists of research on the interactions of radiation upper energy levels. The study of processes that lead to consists of research on the interactions of radiation Go . with matter.s is Empp d on fl the production of coherent radiation and of how its sta- with matter. Emphasis is placed on fundamental rhm r Emphaeisplaedn funden tistical properties are manifest in atomic physics also research in solar photochemical energy conversion, constitute part of this program. whereby fuels or electricity may be produced by visible light excitation of small molecules or solids. The photo- chemistry research includes organic and inorganic pho- Facility Operations (KC-03-1-04) tocatalysis in homogeneous and heterogeneous media, electron transfer rates and mechanisms, photosynthesis, DOE operates large scientific facilities for the benefit and photoelectrochemistry. The radiation chemistry of the scientific community. Major user facilities research is concerned with the chemical effects permit forefront research to be conducted in areas produced by absorption of energy from ionizing important to DOE by scientists from industry and radiation. A small part of the program is devoted to universities in addition to DOE contractors/grantees. research in hot atom chemistry, i.e., the study of the Operating support for these expensive, unique facilities effects of nuclear decay and the consequent release of a seaces is pvied that are open to all qualified researchers is provided by energy on chemical reactions. A growing program of DOE. Many of the facilities are user oriented. The photochemistry, spectroscopy, and related studies is four operated by Chemical Sciences are: the Combus- centered at the National Synchrotron Light Source at tion Research Facility (CRF) at Sandia/Livermore, Brookhaven National Laboratory. the High Flux Isotopes Reactor (HFIR) at Oak Ridge, the Stanford Synchrotron Radiation Laboratory Chemical Physics (KC-03-01-02) (SSRL) at Stanford, and, shared with the Materials Sciences Division, the National Synchrotron Light The Chemical Physics program supports research in a Source (NSLS) at Brookhaven. They represent diverse set of disciplines with a goal of providing basic research resources for the general scientific community, knowledge in areas related to the nation's energy needs. and qualified scientists not associated with the host A significant portion of the program is in the many- laboratory are encouraged to make use of them. How- faceted area of chemicalfaceted l areakkinetics, ofs che iincluding g energy. ever, any activity. that can be carried out through com- transfer, chemical dynamics involving state-selected mercially available laboratories is not appropriate for chemistry, unimolecular and bimolecular reaction these DOE supported facilities.. The process by which kinetics, as well as the reactions of clusters. Research ste scietist ca se a facility is d d an off-site scientist can use a facility is discussed in efforts in molecular structure, spectroscopy, and each summary theoretical chemistry are also well represented in thiso f s at Ok R e a o , . ,~ ~~... r~ . In addition, two facilities at Oak Ridge are operated as program. In addition, there is a growing effort in sur- face dynamisa. a service to the scientific community: the Trans- face dynamics. -~~face dynamics.~uranium Processing Plant (TPP) and the Electromag- Special emphasis is placed on basic research related to netic Isotopes Enrichment Facility (Calutrons). combustion; spectroscopy, theory, and the kinetics of elementary combustion reactions are of special interest. Otherte facilitiesac es describedesibe in ththe ""Special cl Facilities"clti A major user-oriented facility, the Combustion section are also available for use through
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