Adsorption and Ion Exchange | |||
| Session 244 - Molecular Simulation of Adsorption I | |||
| 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 | ||
| Introductory Remarks | |||
| 244a | Computer Simulation of Adsorption in Templated Molecular Recognition Materials Lev Sarkisov, Paul R. Van Tassel | ||
| 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 | ||
| 244c | Studies of a Lattice Model of Water Confined in a Slit Pore J. Liu, P. A. Monson, F. Van Swol | ||
| 244d | Water Condensation in Hydrophobic Zeolitic Nanopores Alain H. Fuchs | ||
| 244e | Density Functional Theory Model of Adsorption on Amorphous and Microporous Silica Materials Peter I. Ravikovitch, Alexander V. Neimark | ||
| 244f | Molecular Simulation of Adsorption in Polycrystalline Nanoporous Materials Nayong Kim, Theodore T. Tsotsis, Muhammad Sahimi | ||
| 244g | Gcmc Simulations of Adsorption of Argon in Slit Pores with Defected Walls Duong D. Do, David Nicholson, Ha Do | ||
| Concluding Remarks | |||
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