Center on Airborne Organics
1996 Annual Report
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Refereed Journal Articles
Bozzelli, J. W. and Lay, T., "Benzene Oxidation in the Troposphere: Reactions with OH and O2 and Detailed Reaction Mechanism," J. Phys. Chem., 100: 6423, 1996.
Bozzelli, J. W. and Lay, T., "Hydrogen Atom Bond Dissociation Groups for Calculation of Thermodynamic Properties of Oxy-Hydrocarbon Radical Species," J. Phys. Chem., 99: 14514 - 27, 1995.
Chiang , H., Glarborg, P. and Bozzelli, J. W., "Effect of SOx and NO on CO Oxidation Under Post Flame Conditions," Intl. J. Chemical Kinetics, 28: 773-790, 1996.
Hannigan, M.P., Cass, G.R., Lafleur, A.L., Busby, W.F. Jr., and Thilly, W.G., "Seasonal and Spatial Variation of the Bacterial Mutagenicity of Fine Organic Aerosol in Southern California," Environmental Health Perspectives, 104: 428-436, 1996.
Lay, Tsan and Krasnoperov, L. and Bozzelli, J. W., "Thermodynamic Properties of Gas Phase Alkyl-Chloro Hydroperoxide Compounds and Corresponding Alkyl and Peroxy Radicals," J. Phys. Chem., 100, 1996.
Lay, T., Krasnoperov, L., Venanzi, C. and Bozzelli, J. W., "Ab initio Study of Alpha Chlorinated Ethyl Hydroperoxides, Confirmational Analysis, Frequencies, Internal Rotation Barriers, Thermodynamic Properties," J. Phys. Chem., 100, 1996
Palotás, Á. B., Rainey, L. C., Feldermann, C. J., Sarofim, A. F., and VanderSande, J. B., "Soot Morphology: An Application of Image Analysis in High-Resolution Transmission Electron Microscopy," Microscopy Res. and Technique, 33: 266-278, 1996
Palotás, Á. B., Rainey, L. C., Sarofim, A.F., VanderSande, J. B., and Ciambelli, Paolo, "Effect of Oxidation on the Microstructure of Carbon Blacks," Energy & Fuels 10: 254-259, 1996.
Rainey, L. C., Palotás, Á. B., Bolsaitis, P., VanderSande, J. B., and Sarofim, A. F., "Application of High-Resolution Electron Microscopy for the Characterization and Source Assignment of Diesel Particulates," Appl. Occupational and Environ. Hygiene, 11(7): 777-781, 1996.
Articles Submitted or in Press
Lay, T. and Bozzelli, J. W., "Ab Initio Calculations on 3 Strained Peroxy Ring Compounds," Chem. Phys. Letters (submitted).
Lay, T. and Bozzelli, J. W., Yamada, T., "Thermochemical Properties of 24 Cyclic Oxygenated Hydrocarbons," J. Phys. Chem. (submitted).
Pope, C.J. and Howard, J.B.: "Simultaneous Particle and Molecule Modeling (SPAMM): An Approach for Combining Sectional Aerosol Equations and Elementary Gas-Phase Reactions," Aerosol Sci .Technol. (in press), 1996.
Wei, R. and Bozzelli, J. W., "A Reaction Mechanism for the Early Oxidation of Neopentyl Radical," J. Phys. Chem., submitted November 1996.
Zhong, Xian, and Bozzelli, J. W., "Reactions of H, O, OH, and HO2 radicals with Cyclopentadiene: Reactions relative to Combustion and Oxidation of Benzene," Intl. J. Chem. Kinetics, submitted.
Theses and Dissertations
Palotás, Árpád Bence, "Quantitative Measures of Carbon Microstructure," for Master of Science in Chemical Engineering, Massachusetts Institute of Technology, September 1995.
Pitz , W. Koert , D., and Bozzelli, J. W., "Kinetic Modeling: High Pressure Propane Oxidation: Comparison with Experiment," presented at the 25th International Combustion Symposium, 1996.
Conferences & Workshops Held
"Advanced Instrumentation for Air Quality Measurements," Summer Symposium, Endicott House, Dedham, MA, July 10 - 11, 1996..