Tuesday, November 6, 2007: 12:30 PM-3:00 PM | |||
M - Salon A (Marriott Salt Lake City-Downtown) | |||
Adsorption and Ion Exchange (02e) | |||
#250 - Molecular Simulation of Adsorption (02E05) | |||
The session will cover a broad range of problems related to molecular simulations of equilibrium and non-equilibrium adsorption and capillary phenomena on surfaces and porous bodies, including Monte Carlo, molecular dynamics, density functional theory, and lattice techniques. | |||
Chair: | Alain H. Fuchs | ||
CoChair: | Alberto Striolo | ||
12:30 PM | Introductory Remarks | ||
12:35 PM | 250a | Modeling Adsorption And Desorption In Ordered Mesoporous Materials Bradd Libby, P. A. Monson | |
12:55 PM | 250b | A Monte Carlo Study of Gas Adsorption on Atomistic Models of Templated Mesoporous Silicas Francisco R. Hung, Supriyo Bhattacharya, Benoit Coasne, Matthias Thommes, Keith E. Gubbins | |
1:15 PM | 250c | Computational Investigation Of The Influence Of Surface Disorder On Wetting Behavior Eric M. Grzelak, Vincent K. Shen, Jeffrey R. Errington | |
1:35 PM | 250d | Packing Induced Selectivity During Adsorption Of Long Chain N-Alkane Mixtures In Zeolites Under Liquid Phase Conditions Sudeep Punnathanam, Randall Snurr | |
1:55 PM | 250e | Study On Hexane Adsorption In Zeolite Itq-29 By Molecular Simulation Miguel A. Granato, Thijs J. H. Vlugt, Alírio E. Rodrigues | |
2:15 PM | 250f | On the Crossing of Low Temperature Adsorption Isotherms of Argon on Graphite Surface David Nicholson, Duong Do | |
2:35 PM | 250g | The Binding Of Flue Gas Pollutants On Pd, Au, Ag, Cu And Their Alloys Erdem Sasmaz, Jennifer Wilcox | |
2:55 PM | Concluding Remarks |
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