Massachusetts Institute of Technology Massachusetts Institute of Technology
Department of Chemical Engineering
ICCK, July 10 - 14, 2011

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The 7th International Conference on Chemical Kinetics, July 10-14, 2011


(Download a zip file of posters and presentations)

Oral Presentations

Minor products analysis during the low-temparature oxidation of alkanes
F. Battin-Leclerc, O. Herbinet, B. Husson, P.A. Glaude, R. Fournet, Z. Wang, Mingfeng Xie and F. Qi (oral 16)

Molecular Size Dependent Fall-off Rate Constants for the Recombination Reactions of Alkyl Radicals with O2
Akira Miyoshi (oral 56)

Computational Study on the Recombination Reaction between Benzyl and Propargyl Radicals
Akira Matsugi and Akira Miyoshi (oral 78)

Combustion of the Butanol Isomers:  Reaction Pathways at Elevated Pressures from Low-to-High Temperatures
Michael R. Harper, Mary Schnoor, Shamel Merchant, William H. Green, Kevin M. Van Geem, Bryan W. Weber, Chih-Jen Sung, Ivo Stranic, David F. Davidson, and Ronald K. Hanson (oral 84)

Kinetics of COxFormation in MC Oxidation of p-Xylene
Weizhen SUN, Meiying AN, Weimin ZHONG, and Ling ZHAO (oral 99)

Chemical Activation Reactions of Cyclic Alkane and Ether Ring-Opened Diradicals with O2: Thermochemistry, Reaction Paths, Kinetics
Itsaso Auzmendi Murua, Jason Hudzik, Joseph W. Bozzelli (oral 101)

A reduced chemical kinetics mechanism for NOx emission prediction in biomass combustion
Ehsan Houshfar, Øyvind Skreiberg, Peter Glarborg, Terese Løvås (oral 106)

Master equation calculations for hydrocarbon and nitrogenous species reaction rate constants at low pressures and temperatures
Greg Smith (oral 113)

The role of sensitivity analysis in model improvement
Alison S. Tomlin Michael Davis, Rex Skodje, Frédérique Battin-LeClerc, Maximilien Cord (oral 122)

Kinetics and OH yield measurements to constrain energy barriers in the CH3OCH2 + O2 reaction
Arkke Eskola, Scott Carr, Robin Shannon, Mark Blitz, Mike Pilling, Struan Robertson, Paul Seakins and Baoshan Wang (oral 132)

On the Chemical Kinetics of an Unsaturated C7 Ester:Methyl 3 HexenoateIgnition and Speciation Studies
Scott W. Wagnon, Darshant M.A. Karwat, Charles K. Westbrook, Margaret S. Wooldridge (oral 134)

Reaction Rate Rules for High and Low Temperature Oxidation of Lightly Methylated Alkanes
S. Mani Sarathy, M. Mehl, C.K. Westbrook, W.J. Pitz (oral 148)

Reaction intermediates at low temperatures: reaction of no●with o2in cold glassy hydrocarbons
L. Mahmoudi, R. Kissner and W. H. Koppenol (oral 159)

Rate Constant Estimation for Large Chemical Kinetic Models and Application to Biofuels
William J. Pitz, Henry J. Curran, Charles Westbrook, Marco Mehl, S. M. Sarathy and Taku Tsujimura (oral 178)

Observatons of bromine explosion in smog chamber experiments above a model salt pan
Joelle Buxmann, Robert Holla, Ulrich Platt, Karsten Kotte, Natalja Balzer, Sergej Bleicher, Cornelius Zetzsch (oral 219)

Semi-classical transition state theory applied to multiwell calculations on the oh+co →h+co2 reaction
Ralph E. Weston Jr.a, Thanh Lam Nguyenb, John F. Stantonc, and John R. Barker (oral 216)

A quantitative kinetic analysis of co elimination from phenoxy radicals
Hans-Heinrich Carstensen and Anthony M. Dean (oral 218)

Impact of tunneling on H-migration of n-propylperoxy radical
Feng Zhang, Theodore S. Dibble (oral45)

A Laser Flash Photolysis Study of CO2 Reduction: Kinetics Leading to the Design of a Renewable Reducing Agent
Barry Carpenter (oral plenary 26)


On the application of the Pseudophase Model to photochemical reaction in the slow exchange limit
Eva Bernal, María Marchena and Francisco Sánchez (poster 5)

Formation of hyrogen bondings and van der waals complexes in concerted unimolecular elimination reactions
Faina Dubnikova and Assa Lifshitz (poster 9)

Vinyl + Propene Reaction: Measuring the Product Distribution
J.E. Middaugh, C.F. Goldsmith, W.H. Green (poster 22)

Kinetics and Mechanism of the Pyrrolidinolysis of N-Substituted Phthalimides in Non-Aqueous Solvents
Yoke-Leng Sim, Wan Hamdah Wan Ahmad and M. Niyaz Khan (poster 27)

Kinetics of the trapping reaction of nitric oxide with 3,5-dibromo-4-nitrosobenzene sulfonate
Venpin, W. K. P. F., Dlugogorski, B. Z., Kennedy, E. M. and Mackie, J. C. (poster 55)

High-temperature reactions of oh with linear alkenes up to c4
Subith S. Vasu*, David F. Davidson, Ronald K. Hanson, and David M. Golden (poster 48)

Validation of Kinetic Models of the Butanol Isomers at High Pressure using a Rapid Compression Machine
Bryan W. Weber*, Chih-Jen Sung (poster 52)

Absolute Rate Constants for the Reaction of OH with Cyclopentane and Cycloheptane from 230-350 K
Michael M. Gennaco, Yi-wen Huang, R. A. Hannun, and Timothy J. Dransfield (poster 88)

Non-parametric kinetics analysis of the oxidation of tin and tic nanoparticles introduction
Sempere, J., Nomen, R., Serra, E. and Sempere, B. (poster 90)

Selected-Ion Flow Tube Mass Spectrometric Investigations of the Reactions Between Several Different Ions and Ionic Liquid Vapors
Steven D. Chambreau, Jerry A. Boatz, Ghanshyam L.Vaghjiani, Jeffrey F. Friedman, Nicole Eyet, A. A. Viggiano (poster 91)

Combining Locally Optimized Interpolants with a Multilevel QM/MM Method for Complex Reactive Simulations
Michael R. Salazar (poster 95)

Study of Thermal Decomposition of CH3CHO Using a Miniature Tubular Flow Reactor
AnGayle Vasiliou, Krzysztof M. Piech, Xu Zhang, Mark R. Nimlos, Mushaid Ahmed, Amir Golan, Oleg Kostko, David L. Osborn, John W. Daily, John F. Stanton and G.Barney Ellison (poster 118)

Bayesian uncertainty quantification of the H + O2 ! OH + O reaction rate
Kenji Miki, Sai Hung Cheung, Ernesto E. Prudencio, Philip L. Varghese (poster 133)

Recent Developments in the Master Equation Program MESMER
(Master Equation Solver for Multi-Energy well Reactions)

Mark Blitz, David Glowacki1, Mo Haji, Jeremy Harvey1, Chi-Hsiu Liang, Chris Morley, Mike Pilling, Struan Robertson, Paul Seakins and Robin Shannon (poster 138)

Thermal Reaction Kinetics of 1-Chloro-1,1,2,2-tetrafluoroethane, 2-Chloro-1,1,1,2-tetrafluoroethane, 1-Chloro-1,1,2,3,3,3-hexafluoropropane and 2-Chloro-1,1,1,3,3,3-hexafluoropropane
Bansi L. Kalra, Dorcas Mudzingwa, David K. Lewis (poster 158)

Kinetics Estimates by Group Contribution for Automatic Reaction Mechanism Generation
Richard H. West, Joshua W. Allen, William H. Green (poster 162)

Bounding the solutions of chemical kinetics models using ODEs with linear programs embedded
Stuart M. Harwood, Joseph K. Scott, and Paul I. Barton (poster 172)

Temperature dependence of the rate coefficients of the OH-initiated oxidation of trimethylphenols between 283 and 313 K
Bejan, A. Schürmann, I. Barnes, P. Wiesen and Th. Benter (poster-186)

Model Simplication of Chemical Kinetic Systems Under Uncertainty
Tom Coles and Youssef Marzouk (poster-206)

Kinetics of naphthyl (C10H7) radical reactions monitored by C10H7OO
J. Park, Hue M. T. Nguyen, Z. F. Xu and M. C. Lin (poster 225)

Kinetics of the self-reaction of neopentyl radicals
Ksenia A. Loginova and Vadim D. Knyazev (poster 239)

An experimental kinetic study of the gas-phase reactions of oh radicals with unsaturated ketones
M. B. Blanco, I. Barnes, and P. Wiesena (poster 261)

Reaction of CH3O2 Radicals with Acetaldehyde on the TiO2 Surface
Manucharova L. A. , Vardanyan I. A. (poster 263)

Osmium(VIII) Catalyzed Oxidation of 6-Aminopenicillanic Acid by Alkaline Copper(III) Periodate Complex: A Kinetic and Mechanistic Approach”
Shweta J. Malode, Sharanappa T. Nandibewoor (poster 101)

Biomass Cracking
AnGayle Vasiliou, Kimberly Urness, Krzysztof Piech, M.R. Nimlos, J.W. Daily and G.B.Ellison (poster 53)

An Improved Reaction Mechanism for Combustion of Core (C0-C4) Fuels
Chitralkumar V. Naik*, Karthik V. Puduppakkam, Ellen Meeks (poster 155)

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