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 PMIntroductory Remarks
12:35 PMModeling Adsorption And Desorption In Ordered Mesoporous Materials
Bradd Libby, P. A. Monson
12:55 PMA 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 PMComputational Investigation Of The Influence Of Surface Disorder On Wetting Behavior
Eric M. Grzelak, Vincent K. Shen, Jeffrey R. Errington
1:35 PMPacking Induced Selectivity During Adsorption Of Long Chain N-Alkane Mixtures In Zeolites Under Liquid Phase Conditions
Sudeep Punnathanam, Randall Snurr
1:55 PMStudy On Hexane Adsorption In Zeolite Itq-29 By Molecular Simulation
Miguel A. Granato, Thijs J. H. Vlugt, Alírio E. Rodrigues
2:15 PMOn the Crossing of Low Temperature Adsorption Isotherms of Argon on Graphite Surface
David Nicholson, Duong Do
2:35 PMThe Binding Of Flue Gas Pollutants On Pd, Au, Ag, Cu And Their Alloys
Erdem Sasmaz, Jennifer Wilcox
2:55 PMConcluding Remarks

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