Bibliography


[
Publications] [Submitted for Publication] [Presentations] [Proceedings] [Thesis and Dissertations]

 

Publications

Allen, J. O., Fergenson, D. P., Gard, E. E., Hughes, L. S., Morrical, B. D., Kleeman, M. J., Gross, D. S., Galli, M. E., Prather, K. A., and Cass, G. R. "Particle Detection Efficiencies of Aerosol Time of Flight Mass Spectrometers under Ambient Sampling Conditions".,Environmental Science and Technology, 34, 211-217. (2000)

Chen, C.J. and Bozzelli ,J.W., "Thermochemical Kinetic Analysis on the Reactions of Tertiary Butyl Reactions with Oxygen", J. Phys Chem 103 p 9417 (1999)

Griffin, R. J., D. R. Cocker III, R. C. Flagan, and J. H. Seinfeld, "Organic Aerosol Formation from the Oxidation of Biogenic Hydrocarbons," J. Geophysical Research , 104, 3555-3567, (1999).

Griffin, R. J., D. Dabdub, D. R. Cocker III, and J. H. Seinfeld, "Estimate of Global Atmospheric Organic Aerosol from Oxidation of Biogenic Hydrocarbons, Geophysical Research Letters, 26, 2721-2724 (1999).

Hughes, L. S., Allen, J. O., Bhave, P., Kleeman, M. J., Cass, G. R., Liu, D. Y., Fergenson, D. P., and Prather, K. A. (2000) Evolution of Atmospheric Particles along Trajectories Crossing the Los Angeles Basin. Environmental Science and Technology, 34, in press.

Kleeman, M. J., Hughes, L. , Allen, J. O., and Cass, G. R. (1999) Source Contributions to the Size and Composition Distribution of Atmospheric Particles: Southern California in September, 1996. Environmental Science and Technology, 33, 4331-4341.

Kronholm, D.F. and Howard J.B., "Analysis of Soot Surface Growth Pathways using Published Plug-Flow Reactor Data with New Particle Size Distribution Measurements and Published Premixed Flame Data", Proc. Comb. Inst. 28 (2000).

Lay, T. H.; Bozzelli, J. W., "Enthalpies of Formation of Cyclic Alkyl Peroxides: 1,2-Dioxetane, 1,2-Dioxolane, and 1,2-Dioxane", J. Chem. Phys. Let., 1997, 268, 175.

Lay, T. H.; Tsai, P.-L.; Yamada, T.; Bozzelli, J. W., "Thermodynamic Parameters and Group Additivity Ring Corrections for Three- to Six-member Oxygen Heterocyclic Hydrocarbons", J. Phys. Chem., 1997, 101, 2471.

Lay, T. H.; Bozzelli, J. W., "Enthalpies of Formation and Group Additivity of Alkyl Peroxides and Trioxides", J. Phys. Chem., 1997.

Molina, M.J., R. Zhang, K. Broekhuizen, W. Lei, R. Navarro, & L.T. Molina, Experimental Study of Intermediates from OH-Initiated Reactions of Toluene, J. Amer. Chem. Soc. 121, 10225-10226 (1999).

Park, B, Bozzelli ,J., Booty ,M., Pettigrew ,C. and. Siminouch, S, "Pyrolysis and Oxidation of Cellulose and Polystyrene in a Continuous feed, Flow Reactor", Env't Science and Technology 33, p 2584 &emdash; 92 (1999)

Yamada, T. and Bozzelli, J., "Ab Initio Studies on Thermochemical Properties of Oxirane, Oxitane and Oxirene Chem". Physics Lett's. V 268 p 175 (1997)

Yamada, T., Bozzelli, J. and Lay ,T., "Thermochemical Property and Kinetic Analysis on the Reaction System: Dimethyl-ether Radical with Oxygen", Internat Symp. on Combustion. August p201 &emdash; 209,1998.

Yamada, T. and Bozzelli, J., "Enthalpies of Formation and Group Additivity for Alkyl Peroxides and Trioxides", J. Phys Chem. A, 101, 9505 - 9510, (1998)

Yamada, T and Bozzelli, J. W., Kinetic and Thermodynamic Analysis on OH Addition Reaction with Ethylene, J. Phys. Chem. A 103, 7646-7655 (1999).

Yamada, T and Bozzelli, J. W., "Analysis of OH Radical Addition to Ethylene", J. Phys Chem 103 p 7646 &emdash; 7655 (1999).

Yamada, T and Bozzelli, J. W., Comparison of CBS-q and G2 calculations on Thermodynamic Properties, Transition States and Kinetics of Dimethyl-ether + O2 Reaction System, accepted Internat J. Chem Kinetics (2000).

Yamada, T., Bozzelli, J. and Lay ,T., "Thermochemical Properties: Entropy, Heat Capacities and Group Additivity for Hydrofluoro Ethanes, J. Phys. Chem A 102, p7286 - 93 (1998)

Yu, J., R. J. Griffin, D. R. Cocker, R. C. Flagan, J. H. Seinfeld, and P. Blanchard, "Observation of Gaseous and Particulate Products of Monoterpene Oxidation in Forest Atmospheres," Geophysical Research Letters, 26, 1145-1148 (1999).

Yu, J., D. R. Cocker, R. J. Griffin, R. C. Flagan, and J. H. Seinfeld, "Gas-Phase Ozone Oxidation of Monoterpenes: Gaseous and Particulate Products," J. Atmospheric Chemistry , 34, 207-258 (1999).

Zhong, Xian and Bozzelli, "Thermochemical and Kinetic Analysis of the H, OH, HO2, O and O2 Association Reactions with Cyclopentadienyl Radical "J. Phys Chem. 102, p 3537, (1998)

Zhu, Li; Ho, W. P.; Bozzelli, J. W., Reaction of Vinyl Chloride with Hydroxyl Radical: Pathways and Rate Constants, J. Phys. Chem. 103 p 7800-10 (1999).

 

Submitted for Publication

ab initio and Density Function Analysis of the Acetylene +O2(3å ) Reaction System and ChemKin Evaluation of Acetylene + O2(3å ), O2(1D ) and Vinylidene + O2(3å ), Chad Sheng and Joseph W. Bozzelli, Submitted, under revision IJCK (1999).

Detailed Mechanism and Analysis on Atmospheric Oxidation of Toluene: Effects of NO; Tsan Lay and Joseph W Bozzelli. Submitted to J. Phys Chem A. (2000)

Tolsma J. E. and P. I. Barton, "DAEPACK: An Open Modeling Environment for Legacy Models", Submitted to: Industrial and Engineering Chemistry Research, October 1999.

Richter, H., T.G. Benish, O.A. Mazyar, W.H. Green, and J.B. Howard,

"Formation of Polycyclic Aromatic Hydrocarbons and their Radicals in a Nearly Sooting Premixed Benzene Flame", 28th Symposium (International) on Combustion (In Press).

 

Presentations

Analysis of Tertiary Butyl Radical + O2, Isobutene + HO2, Isobutene + OH, and Isobutene-OH Adducts + O2: A Detailed Tertiary Butyl Oxidation Mechanism. Chiung-Ju Chen and Joseph W. Bozzelli International Symposium on Combustion, Boulder Colorado, August 1998.

Reaction of OH Radical with C2H3Cl, Rate Constant and Reaction Pathway Analysis. Joseph W. Bozzelli, Li Zhu and Wenpin Ho, International Symposium on Combustion, Boulder Colorado, August 1998

Reaction Path Analysis and Kinetic Analysis on Methyl Tert Butyl Ether Pyrolysis and Oxidation Chiung ju Chen and Joseph W Bozzelli Chemical and Physical Processes in Combustion Eastern States Combustion Inst NC State Univ (1999).

Thermochemical Property and Kinetic Analysis on the Reaction System: Dimethylether Radical with Oxygen, T. Yamada, Joseph W Bozzelli and T. Lay. 27th International Symposium on Combustion. August (1998)

Height, M.J., Goel, A. Ayala, F., Lehre, T., Hebgen, P., and Howard, J.B., "Characterization of Surface and Internal Properties of Soot", Work in Progress Poster, 28th International Symposium on Combustion, July 31-Aug. 4, 2000.

Green ,W.H. and D.M. Matheu, "Computer-Aided Kinetic Modeling: Estimation of Pressure-Dependent Rate Constants", A.I.Ch.E. National Meeting, Dallas, TX, Nov. 1999

Green W.H, "From the Schroedinger Equation to Reacting Flows: Complexity in Chemical Kinetics", Complexity in Engineering Conference (sponsored by MIT & the Santa Fe Institute), Cambridge, MA, Nov. 1999

Tolsma J. E. and P. I. Barton, "DAEPACK: A Flexible Environment for Open Modeling", AIChE Annual Meeting, Dallas, Texas, 31st October-3rd November, 1999.

Chen, C.J and Bozzelli, J.W."Rate Constants for HO2 Addition to Primary, Secondary, and Tertiary Carbon Double Bond: Ethylene, Propene and Isobutene Based on ab initio Calculations", International Symposium on Combustion, Boulder Colorado, August 1998

Bozzelli, J.W., Zhu L. and Ho, W., "Reaction of OH Radical with C2H3Cl, Rate Constant and Reaction Pathway Analysis., International Symposium on Combustion, Boulder Colorado, August 1998

Yamada, T and Bozzelli J.W., "Kinetic and Thermodynamic Analysis on OH Addition to Ethylene Using ab-initio Calculation (G2 and CBS-q)". International Symposium on Combustion, Boulder Colorado, August 1998

Oxidation of Aromatics Detailed mechanism of dibenzofuran and dibenzodioxin formation. International Conference on Hazardous Waste Incineration, Karlsruhle Germany, Invited Plenary Lecture.

Thermochemical Kinetic Analysis on the Reactions of Allylic Isobutenyl Radical with O2: An Elementary Reaction Mechanism for Isobutene Oxidation. Invited Seminar National Institute of Standards

 

Proceedings

ab initio and Density Function Analysis of the Acetylene +O2(3å ) Recation System and ChemKin Evaluation of Acetylene + O2(3å ), O2(1D ) and Vinylidene + O2(3å ), Chad Sheng and Joseph W. Bozzelli, Chemical and Physical Processes in Combustion Eastern States Combustion Inst NC State Univ (1999).

Kinetics of Vinyl Radical addition to Ethylene; T. Yamada, Joseph W Bozzelli and P. Taylor Chemical and Physical Processes in Combustion Eastern States Combustion Inst NC State Univ (1999).

Pyrolysis and Oxidationof Methane &emdash; Methanol Mixtures Experiment and Detailed Pressure Dependent Model, C. Sheng and Joseph W Bozzelli First Joint Meeting US Combustion Inst. Washington DC March 1999

Computer Codes 'SMCPS and THERMKIN' to Determine Thermodynamic Properties and Kinetic Parameters from ab initio and Density Functional Calculations. Chad Sheng and Joseph W Bozzelli, First Joint Meeting US Combustion Inst. Washington DC March 1999

Thermochemical and Kinetic Analysis on Acetyl and Formal-methyl Radical Reactions with O2. Jong-Woo Lee and Joseph W Bozzelli First Joint Meeting US Combustion Inst. Washington DC March 1999

 

Thesis and Dissertations

Chen, Chiung ju, "Reaction Path Analysis and Kinetic Analysis on Methyl Tert Butyl Ether Pyrolysis and Oxidation", Ph. D Thesis, NJIT, 1999.

Kronholm, D.F., "Molecular Weight Growth Pathways in Fuel-Rich Combustion", Ph.D. Thesis, MIT, June, 2000.

Lehre, T., "Determination of Size Distribution of Soot Particles at Different Residence Times in an Atmospheric Plug-Flow Combustor", Diploma Thesis, Universität Karlesruhe, Germany (research done at MIT) February, 2000.

 
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