2005 Annual Meeting

Session: Reaction Path Analysis

Chair

Linda Broadbelt, Northwestern University

Co-Chair

Pretinder S. Virk, Mass. Institute of Technology

Presentations

03:15 PM

(281a) Structural Constraints on the Microkinetics of Complex Overall Reaction Pathways Comprising Parallel and Sequential Steps
Ravindra Datta, Ilie Fishtik

03:32 PM

(281b) High Severity Pyrolyses of C6 to C12 Cyclo-Alkanes Comprizing Unsubstituted and Methylated Moieties

03:49 PM

(281c) Ab Initio Reaction Path Analysis of Catalytic Reactions: Benzene Hydrogenation and Cyclohexane Dehydrogenation
M.F. Reyniers, Matthew Neurock

04:06 PM

(281d) Reaction Network Identification in High-Temperature Polymerization of N-Butyl Acrylate: a Simultaneous Parameter Estimation Approach
Felix S. Rantow, Michael C. Grady

04:23 PM

(281e) Kinetic Modeling of the Vinyl Chloride Suspension Polymerization
Joris Wieme, M.F. Reyniers

04:40 PM

(281f) On the Stability of Micro-Scale Heat Sources
Niket Kaisare, Soumitra Deshmukh

04:57 PM

(281g) Density Functional Theory Investigation of the Hydrolysis and Condensation of Polysilicic Acid: a Mechanistic and Energetic Analysis
Charles L. Schaffer, Kendall T. Thomson

05:14 PM

(281h) A Theoretical Kinetic Investigation of Arsenic and Selenium in Combustion Flue Gases
David R. Urban

05:31 PM

(281i) Evidence of a Two Step Mechanism in Electronic Structure Selective Single-Walled Carbon Nanotube Reactions
Monica Usrey, Ethan S Lippmann, Michael S. Strano