Tuesday, November 14, 2006: 12:30 PM-3:00 PM | |||
Sutter (Hilton San Francisco) | |||
#244 - Molecular Simulation of Adsorption I (02E01) | |||
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: | Alexander V. Neimark | ||
CoChair: | Flor R. Siperstein | ||
12:30 PM | Introductory Remarks | ||
12:31 PM | 244a | Computer Simulation of Adsorption in Templated Molecular Recognition Materials Lev Sarkisov, Paul R. Van Tassel | |
12:51 PM | 244b | Adsorption from Dilute Liquid Solutions: Molecular Dynamics Simulations Using the Mean Force Method Werner Billes, Rupert Tscheliessnig, Lukas Geyrhofer, Martin Wendland, Johann A. Fischer | |
1:11 PM | 244c | Studies of a Lattice Model of Water Confined in a Slit Pore J. Liu, P. A. Monson, F. Van Swol | |
1:31 PM | 244d | Water Condensation in Hydrophobic Zeolitic Nanopores Alain H. Fuchs | |
1:51 PM | 244e | Density Functional Theory Model of Adsorption on Amorphous and Microporous Silica Materials Peter I. Ravikovitch, Alexander V. Neimark | |
2:11 PM | 244f | Molecular Simulation of Adsorption in Polycrystalline Nanoporous Materials Nayong Kim, Theodore T. Tsotsis, Muhammad Sahimi | |
2:31 PM | 244g | Gcmc Simulations of Adsorption of Argon in Slit Pores with Defected Walls Duong D. Do, David Nicholson, Ha Do | |
2:51 PM | Concluding Remarks |
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