Preliminary Program subject to change
T3013 Reaction Path Analysis
OverviewTo follow.
Primary SponsorTopical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes (T3)

Chair

Linda Broadbelt
Professor
Northwestern University
Department of Chemical Engineering
2145 Sheridan Road E136
Evanston, IL 60208-3120
Phone Number: 847-491-5351
Fax Number: 847-491-3728
Email: broadbelt@northwestern.edu

CoChair

Pretinder S. Virk
Mass. Institute of Technology
77 Massachusetts Avenue, 66-556
Cambridge, MA 02139
Phone Number: 617-253-3177
Fax Number: 781-237-5380
Email: psvirk@mit.edu
Structural Constraints on the Microkinetics of Complex Overall Reaction Pathways Comprising Parallel and Sequential Steps
Ravindra Datta, Chemical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester,, MA 01609-2280 and Ilie Fishtik, Chemical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609
High Severity Pyrolyses of C6 to C12 Cyclo-Alkanes Comprizing Unsubstituted and Methylated Moieties
Preetinder S. Virk, Mass. Institute of Technology, 77 Massachusetts Avenue, 66-405, Cambridge, MA 02139
Ab Initio Reaction Path Analysis of Catalytic Reactions: Benzene Hydrogenation and Cyclohexane Dehydrogenation
Mark Saeys, Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, Singapore 117576, Singapore, M.F. Reyniers, Laboratorium voor Petrochemische Techniek , Ugent, krijgslaan 281 S5, Gent, 9000, Belgium, Matthew Neurock, University of Virginia, 102 Engineers' Way, Charlottesville, VA 22904-4741 and Guy B. Marin, Laboratorium voor Petrochemische Techniek, Universiteit Gent, Krijgslaan 281, blok S5, Gent, 9000, Belgium
Reaction Network Identification in High-Temperature Polymerization of N-Butyl Acrylate: a Simultaneous Parameter Estimation Approach
Felix S. Rantow, Drexel University, Department of Chemical Engineering, Philadelphia, PA 19104, Masoud Soroush, Drexel University, Department of Chemical Engineering, 32nd & Chestnut Streets, Philadelphia, PA 19104 and Michael C. Grady, DuPont Marshall Lab, 3401 Grays Ferry Ave., Philadelphia, PA 19146
Kinetic Modeling of the Vinyl Chloride Suspension Polymerization
Joris Wieme, Laboratorium voor Petrochemische Techniek, Ghent University, Krijgslaan 281 S5, Ghent, Belgium, M.F. Reyniers, Laboratorium voor Petrochemische Techniek , Ugent, krijgslaan 281 S5, Gent, 9000, Belgium and Guy B. Marin, Laboratorium voor Petrochemische Techniek, Universiteit Gent, Krijgslaan 281, blok S5, Gent, 9000, Belgium
On the Stability of Micro-Scale Heat Sources
Niket Kaisare1, Soumitra Deshmukh1 and Dionisios G. Vlachos2, (1)Chemical Engineering, University of Delaware, 355, Colburn Laboratory, Newark, DE 19716, (2)University of Delaware, Department of Chemical Engineering, 150 Academy St., 325 Colubrn Lab, Newark, DE 19716
Density Functional Theory Investigation of the Hydrolysis and Condensation of Polysilicic Acid: a Mechanistic and Energetic Analysis
Charles L. Schaffer, School of Chemical Engineering, Purdue University, Forney Hall of Chemical Engineering, 480 Stadium Mall Drive, West Lafayette, IN 47907 and Kendall T. Thomson, School of Chemical Engineering, Forney Hall of Chemical Engineering, 480 Stadium Mall Drive, West Lafayette, IN 47907
A Theoretical Kinetic Investigation of Arsenic and Selenium in Combustion Flue Gases
David R. Urban and Jennifer Wilcox, Chemical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609
Evidence of a Two Step Mechanism in Electronic Structure Selective Single-Walled Carbon Nanotube Reactions
Monica Usrey1, Ethan S Lippmann2 and Michael S. Strano2, (1)University of Illinois at Urbana/Champaign, 104 RAL, 600 S. Mathews Ave., Urbana, IL 61802, (2)Chemical and Biomolecular Engineering, University of Illinois at Urbana/Champaign, 104 RAL, 600 S. Mathews Ave., Urbana, IL 61802

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