Bozzelli, J. W. and Lay, T., "Thermodynamic Properties of 26 Cyclic Oxygenated Hydrocarbons," J. Phys. Chem., 101: 2471-78, 1997.
Bozzelli, J. W., "Density of State Determination from Heat Capacity Data," Intl. J. Chem. Kinetics, 29: 161 - 170, 1997.
Bozzelli, J. W., Pitz, W. and Koert, D., "Kinetic Modeling: High Pressure Propane Oxidation: Comparison with Experiment," Twenty-Fifth International Symp. Combustion, Vol. 1, p 633, 1997.
Forstner, H. J. L., Seinfeld, J. H. and Flagan, R. C., "Secondary Organic Aerosol Formation from the Photooxidation of Aromatic Hydrocarbons. Molecular Composition," Environ. Sci. Technol., 31: 1345-1358, 1997.
Hoffmann, T., Odum, J. R., Bowman, F., Collins, D., Klockow, D., Flagan, R. C. and Seinfeld, J. H., "Formation of Organic Aerosols from the Oxidation of Biogenic Hydrocarbons," J. Atmospheric Chem., 26: 189-222, 1997.
Wu, K. and Hochgreb, S. "Numerical Simulation of Post-Flame Oxidation of Hydrocarbons in Spark Ignition Engines," Soc. Autom. Eng. Paper 970886 (1997).
Odum, J. R., Jungkamp, T. P. W., Griffin, R. J., Forstner, H. J. L., Flagan, R. C. and Seinfeld, J. H., "Aromatics, Reformulated Gasoline, and Atmospheric Organic Aerosol Formation," Environ. Sci. Technol., 31: 1890-1897, 1997.
Tse, C. W., Flagan, R. C. and Seinfeld, J. H., "Rate Constants for the Gas-Phase Reaction of the Hydroxyl Radical with a Series of Dimethylbenzaldehydes and Trimethylphenols at Atmospheric Pressures," Intl. Journal of Chemical Kinetics, 29: 523-525, 1997.
Jungkamp, T. P. W. and Seinfeld, J. H., "The Mechanism of Methoxy Radical Oxidation: Hydrogen Abstraction vs. Trioxy Radical Formation," Chemical Physics Letters, 263: 371-378, 1996.
Jungkamp, T. P. W. and Seinfeld, J. H., "Prediction of Bond Dissociation Energies and Transition State Barriers by a Modified Complete Basis Set Model Chemistry," J. Chem. Phys., 107: 1513-1521, 1997.
Jungkamp, T. P. W., Smith, J. N. and Seinfeld, J. H., "Atmospheric Oxidation Mechanism of n-Butane: The Fate of Alkoxy Radicals," J. Phys. Chem., 101: 4392-4401, 1997.
Meng, Z., Dabdub, D. and Seinfeld, J. H., "Chemical Coupling Between Atmospheric Ozone and Particulate Matter," Science, 277: 116-119, 1997.
Odum, J. R., Jungkamp, T. P. W., Griffin, R. J., Flagan, R. C. and Seinfeld, J. H., "The Atmospheric Aerosol-Forming Potential of Whole Gasoline Vapor," Science, 276: 96-99, 1997.
Pálotás, A. B., Rainey, L. C., Feldermann, C. J., Sarofim, A. F. and Vander Sande, J. B., "Soot Morphology: An Application of Image Analysis in High-resolution Transmission Electron Microscopy," Microscopy Research and Technique, 33: 266-278, 1996.
Pálotás, A. B., Rainey, L. C., Sarofim, A. F., Vander Sande, J. B. and Ciambelli, Paolo, "Effect of Oxidation on the Microstructure of Carbon Blacks," Energy and Fuels, 10: 254-259,1996.
Rainey, L. C., Pálotás, A. B., Bolsaitis, P., Vander Sande, J. B. and Sarofim, A. F., "Application of High-Resolution Electron Microscopy for the Characterization and Source Assignment of Diesel Particulates," Occup Environ. Hyg., 11(7): 777-781, 1996.
Lay, T. H. and J. W. Bozzelli, "Enthalpies of Formation of Cyclic Alkyl Peroxides: 1,2-Dioxetane, 1,2-Dioxolane, and 1,2-Dioxane," J. Chem. Phys. Let., 268: 175, 1997.
Lay, T. H., J. W. Bozzelli, A. M. Dean and E. R. Ritter, "Hydrogen Atom Bond Increments (HBI) for Calculation of Thermodynamic Properties of Hydrocarbon Radical Species," J. Phys. Chem., 99: 14514, 1995.
Lay, T. H., J. W. Bozzelli and J. H. Seinfeld, "Atmospheric Photochemical Oxidation of Benzene: Benzene + OH and the Benzene-OH Adduct (Hydroxyl-2,4-cyclohexadienyl) + O2," J. Phys. Chem., 100: 6543, 1996.
Lay, T. H., L. N. Krasnoperov, C. A. Venanzi, J. W. Bozzelli and N. V. Shoshirev, "Ab Initio Study of Structures, Barriers for Internal Rota-tion, Vibrational Frequencies, and Thermodynamic Properties of Hydroperoxide Molecules: CH3CH2OOH, CH3CHClOOH and CH3CCl2OOH," J. Phys. Chem., 100: 8240, 1996.
Lay, T. H., P.-L. Tsai, T. Yamada and J. W. Bozzelli, "Thermodynamic Parameters and Group Additivity Ring Corrections for Three- to Six-member Oxygen Heterocyclic Hydrocarbons," J. Phys. Chem., 101: 2471, 1997.
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., 27, 73-94, 1997.
Bozzelli, J. W., "Kinetic Analysis on the Reaction of Neopentyl Radical with O2" J. Chem. Kinetics, submitted.
Bozzelli, J. W., "Thermochemical Kinetic Analysis on the Reactions of Tertiary Butyl Reactions with Oxygen." J. Phys Chem., submitted
Gard, E. E., Gross, D. S., Morrical, B. D., Fergenson, D. P., Dienes, T., Galli, M. E., Prather, K. A., Kleeman, M. J., Hughes, L., Allen, J. O., Johnson, R. J., and Cass, G. R., "Direct Observation of Gas-Particle Interchange in the Atmosphere," submitted to Science, 1997.
Haidar, H.A., "Combustion Chamber Deposit Effects on Hydrocarbon Emissions from a Spark-Ignition Engine," Ph.D. Thesis, MIT, February 1997.
Lay, T. H. and J. W. Bozzelli, "Enthalpies of Formation and Group Additivity of Alkyl Peroxides and Trioxides," accepted and to be published in J. Phys. Chem., 1997.
Liang, C., Pankow, J. F., Odum, J. R., Flagan, R. C. and Seinfeld, J. H., "Gas/Particle Partitioning of Semi-Volatile Organic Compounds to Model Inorganic, Model Organic, and Ambient Smog Aerosols," Environ. Sci. Technol..
Pálotás, A. B., L. C. Rainey, A. F. Sarofim, J. B. Vander Sande and R. C. Flagan, "Microstructural Analysis of Graphites," Submitted to CHEMTEC, 1997.
Wu, K. and Hochgreb, S. "The Roles of Chemistry and Diffusion on Hydrocarbon Post-Flame Oxidation," Combust. Sci. Tech., in press, 1997.
Zhong, Xian and J. W. Bozzelli, "Reactions of H, O, OH, and HO2 Radicals with Cyclopentadiene: Reactions Relative to Combustion and Oxidation of Benzene," Intl. J. Chemical Kinetics, in press.
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, 29: Dec. 1997.
Zhong, Xian, and Bozzelli, J. W., "Reactions of H, O, OH, HO2 and O2 with Cyclopentadienyl Radical." J. Chem. Kinetics, submitted.
Diokno, Maria Rosa E., "Development of a Mathematical Model of the Diffusion and Reaction of Soot and NOx in a Soot Coated Particle," University of the Philippines, March 1997.
Forstner, H.J.L."Aerosol Formation from Atmospheric Hydrocarbon Photooxidation."
Haidar, H.A., "Combustion Chamber Deposit Effects on Hydrocarbon Emissions from a Spark-Ignition Engine," Ph.D. Thesis, MIT, February 1997
Kandas , Angelo W. "Structural Evolution of Carbon During Oxidation," Doctor of Philosophy, Massachusetts Institute of Technology, June 1997.
Pálotás, Arpád B. "Application of High-Resolution Electron Microscopy for the Characterization and Source Assignment of Diesel Particulates," Doctor of Philosophy, University of Miskolc, Hungary, June, 1997.
Pun, Betty K. "Treatment of Uncertainties in Atmospheric Chemical Systems: A Combined Modeling and Experimental Approach", Ph. D. Thesis, Chemical Engineering, Massachusetts Institute of Technology, to be awarded February, 1998.
Sun, Chao, "Microengineered Sensor Devices with Field Emission Electron Sources," New Jersey Institute of Technology, Ph. D., to be awarded December 1997.
Sun, Shu, "The Reactions of NOx with Diesel Soot over Cu-ZSM-5 Catalyst," New Jersey Institute of Technology, May 1996.
Tang, Xiaoyong, "Catalytic Control of Nitric Oxide with Gaseous or Solid Reducing Materials," New Jersey Institute of Technology, January 1997.
Wei, Ru, "Combustion of Neopentane and Methyl Tertbutyl Ether (MTBE) : Experiment and Detailed Reaction Mechanisms," New Jersey Institute of Technology, August 1997.
Wu, K., "Modeling of the Post-Flame Oxidation Process of Unburned Hydrocarbons in Spark-Ignition Engines", Ph.D. Thesis, Department of Mechanical Engineering, MIT, 1997.
Bell, David C., Rainey, Lenore C. and Vander Sande, John B.,"Microanalysis of Soot Particulates Using STEM," Proceedings of Microscopy and Microanalysis, Volume 3, Supplement 2, Cleveland, Ohio, Aug. 10-14, 1997.
Bozzelli, Joseph W., "Reactions of Bromine Species Leading to Inhibition of H2 and CH4 Oxidation," Annual Kinetic Modeling of Flame Suppression Conference held at Wright Patterson Air Force Base, Dayton, Ohio, July 22-24, 1997.
Galli, M. E., Allen, J. O., Hughes, L., Gross, D. S., Gard, E., Cass, G. R., and Prather, K. A., "A Comparison of Chemical Speciation in Atmospheric Aerosols Using ATOFMS and Traditional Aerosol Analysis Techniques," presented at the 16th annual meeting of the American Association for Aerosol Research, 1997.
Gross, D. S., Kleeman, M. J., Cass, G. R., and Prather, K. A., "Real-Time Measurement of Heterogeneous Chemistry in Atmospheric Marine Aerosols," presented at the 16th annual meeting of the American Association for Aerosol Research, 1997.
Haidar, H.A. and Heywood, J.B., "Combustion Chamber Deposit Effects on Hydrocarbon Emissions from a Spark-Ignition Engine," SAE paper 972887, presented at the International Fall Fuels & Lubricants Meeting & Exposition, Tulsa, OK, Oct. 13-16, 1997
Kayes, D., Hochgreb, S., "Particulate Emissions from Spark-Ignition Engines," Engine and Fuels Consortium, October 9-10, 1997.
Kronholm, D. H., Pope, C. J. and Howard, J. B., "Effect of PAH-Soot Reactions on PAH Production in Flames," Fifth International Congress on Toxic Combustion Byproducts, University of Dayton, Dayton, OH, June 25-27, 1997.
Pfeffer, Robert, "Simultaneous Removal of Soot and NOx from the Exhaust of Diesel Powered Vehicles Using A Rotating Fluidized Bed Reactor," Arizona State University, February 1997.
Pfeffer, Robert, "Simultaneous Removal of Soot and NOx from the Exhaust of Diesel Powered Vehicles Using A Rotating Fluidized Bed Reactor," Lehigh University, February 1997.
Pfeffer, Robert, "Simultaneous Removal of Soot and NOx from the Exhaust of Diesel Powered Vehicles Using A Rotating Fluidized Bed Reactor," Arizona University, March 1997.
Vander Sande, J.B., Sarofim, A.S.,Rainey, L.S.,Palotás A. B.and Bell, D.C., "Markers for Emissions from Combustion Sources," Proceedings of Microscopy and Microanalysis, Minneapolis, Minnesota, 1996.
Wu, K. and Hochgreb, S. "Chemical Kinetic Modeling of Post-Flame Oxidation of Unburned Hydrocarbons," 1997 Technical Meeting of the Eastern States Section of the Combustion Institute, October 27-29, Hartford, CT.
The Fifth International Congress on Toxic Combustion By-products and Waste Incineration, University of Dayton, Dayton Ohio, June 25-27, l997.
The conference is held at international sites on a semi-annual basis and is widely attended by the international combustion and kinetics community. It has a major focus on kinetics and reaction pathways of Chlorinated Dioxin and Dibenzofuran formation and destruction. Papers presented by the NJIT Thermo-Chemical Kinetics Research Group include:
1. "Incineration Chemistry and By-Product Studies of Cellulose and Polystyrene Using a Bench-Scale Incineration Reactor System." Authors: B. Park, J. W. Bozzelli, M. Booty, New Jersey Institute of Technology and J. Shi, and C. A. Pettigrew, The Procter and Gamble Co.
2. "Incineration Chemistry of NaCl in Solid Waste Matrices under Municipal Incineration Conditions." Authors: B. Park, J. W. Bozzelli, M. Booty, New Jersey Institute of Technology, and J. Shi, and C. A. Pettigrew, The Procter and Gamble Co.
3. "Staged Combustion of Chlorocarbons in Incineration System: Kinetic Modeling and Bench-Scale Experiments." Authors: Carlo Procaccini, G. F. Sacchi, J. W. Bozzelli, J. P. Longwell, A. F. Sarofim, and K. A. Smith, Massachusetts Institute of Technology, University of Roma "La Sapienza," New Jersey Institute of Technology.
The Fourth International Conference on Chemical Kinetics, NIST, Gaithersburg, MD, July 13-17, 1997 The conference is held every fourth year and is perhaps the highest level conference related to kinetics, thermochemistry and Reaction Pathway Analysis in the International Kinetics Community. It is widely attended by US and international researchers and funding agency program managers in elementary kinetics and thermochemistry, and in the atmospheric and combustion communities both at theoretical experimental levels. Papers by the NJIT Thermo-Chemical Kinetics Research Group included three which were selected for inclusion in the limited number of oral presentation.
1. "Chemical Activation Analysis of the NH2 + NO and CH3 + NO Reactions." Authors: Dean, A.M. and and Bozzelli, J.W.
2*. "Dimethyl-ether Radical + O2 and the Respective Adduct Radical + O2 Reactions." Authors: Yamada, Takahiro, Bozzelli, J.W., and Lay, Tsan.
3*. "Pressure and Temperature Analysis of the C2H5 and C.COOH + O2 Reactions." Authors: Bozzelli, J.W., Dean, A.M., Sheng, Chad and Lay, T.
4. "Pressure Dependent Reaction Mechanism for C1 and C2 Combustion Systems: 0.001-100 Atm, 300-2500 K." Authors: Petrin, Allen, Bozzelli, J.W., Sheng, Chad and Dean, A.M.
5. "Kinetic and Transition State Analysis on the Neopentyl Reaction with Oxygen." Authors: Wei, Ru and Bozzelli, J.W.
6. "The Analysis of Acetylene + O2 Reaction Based on Semi-Empirical and Ab Initio Data." Authors: Sheng, Chad and Bozzelli, J.W.
7. "Thermochemical Kinetic Analysis on the Reaction of Tertiary Butyl Radical with Oxygen and an Elementary Reaction Mechanism for Tertiary Butyl Oxidation." Authors: Chen, Chiung-Ju and Bozzelli, J.W.
8. "Ethylene + OH and the Respective Adduct Radical + O2 Reactions." Authors: Yamada T., Bozzelli, J. W.and Lay, T.
9. "Enthalpies of Formation and Group Additivity of Alkyl Peroxides." Authors: Lay, T.H. and Bozzelli, J.W.
10. "Pathway and Kinetic Analysis on the Propyl Radical + O2 Reaction System." Authors: Bozzelli, J.W. and Pitz, W.J.
11. "Kinetic Modeling Study on MTBE Oxidation." Authors: Wei, Ruth and Bozzelli, J.W.
12. "Thermochemical Kinetic Analysis on the Reaction of Allylic Isobutenyl Radical and O2: An Elementary Reaction Mechanism for Isobutene Oxidation." Authors: Chen, Chiung-Ju and Bozzelli, J.W.
13. "Kinetic and Transition State Analysis for alpha- and beta-Addition of Hydroxyl Radical to Chloroethylene." Authors: Zhu, Li and Bozzelli, J.W.
* Selected for oral Presentation