Session 13. Molecular Modeling in CRE B.

Tuesday, June 8, 3:20 pm – 5:00 pm     [Parlor F]

Chair : M. Neurock     Co-Chair : M. Sheintuch

3:20-3:45

Dynamic Monte Carlo Simulations of Multi-Component Diffusion in Zeolites: Effect of Strong Adsorption Sites

V.R. Iyengar and M.-O. Coppens, Delft University of Technology, Delft, The Netherlands

3:45-4:10

Molecular Reconstruction of LCO Gasoils from Overall Petroleum Analyses.

D. Hudebine and J.J. Verstraete, Institut Francais du Petrole, Vernaison, France

4:10-4:35

Relumped single event microkinetic model for alkane hydrocracking on shape selective catalysts : Catalysis on ZSM-22 pore mouths, bridge acid sites and micropores.

C.S. Narasimhan, J.W.Thybaut, G.B.Marin, J. F. Denayer, G.V.Baron, J.A.Martens and P.A.Jacobs, Ghent University, Ghent and Leuven University, Leuven, Belgium

4:35-5:00

A single events kinetic model : n-butane Isomerization

K. Surla, H. Vleeming, D. Guillaume and P. Galtier, Institut Francais du Petrole,  Vernaison, France

 

This page updated May 17, 2004