Tuesday, 1 November 2005: 3:15 PM-5:45 PM
212 (Cincinnati Convention Center)

Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes (T3)

#281 - Reaction Path Analysis (T3013)
To follow.
CoChair:Pretinder S. Virk
Chair:Linda Broadbelt
3:15 PMStructural Constraints on the Microkinetics of Complex Overall Reaction Pathways Comprising Parallel and Sequential Steps
Ravindra Datta, Ilie Fishtik
3:32 PMHigh Severity Pyrolyses of C6 to C12 Cyclo-Alkanes Comprizing Unsubstituted and Methylated Moieties
Preetinder S. Virk
3:49 PMAb Initio Reaction Path Analysis of Catalytic Reactions: Benzene Hydrogenation and Cyclohexane Dehydrogenation
Mark Saeys, M.F. Reyniers, Matthew Neurock, Guy B. Marin
4:06 PMReaction Network Identification in High-Temperature Polymerization of N-Butyl Acrylate: a Simultaneous Parameter Estimation Approach
Felix S. Rantow, Masoud Soroush, Michael C. Grady
4:23 PMKinetic Modeling of the Vinyl Chloride Suspension Polymerization
Joris Wieme, M.F. Reyniers, Guy B. Marin
4:40 PMOn the Stability of Micro-Scale Heat Sources
Niket Kaisare, Soumitra Deshmukh, Dionisios G. Vlachos
4:57 PMDensity Functional Theory Investigation of the Hydrolysis and Condensation of Polysilicic Acid: a Mechanistic and Energetic Analysis
Charles L. Schaffer, Kendall T. Thomson
5:14 PMA Theoretical Kinetic Investigation of Arsenic and Selenium in Combustion Flue Gases
David R. Urban, Jennifer Wilcox
5:31 PMEvidence of a Two Step Mechanism in Electronic Structure Selective Single-Walled Carbon Nanotube Reactions
Monica Usrey, Ethan S Lippmann, Michael S. Strano
Sponsor:Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes
Cosponsors:Catalysis and Reaction Engineering Division

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