| Tuesday, November 14, 2006: 3:15 PM-5:45 PM | |||
| Sutter (Hilton San Francisco) | |||
| #289 - Molecular Simulation of Adsorption II (02E15) | |||
| 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: | Flor R. Siperstein | ||
| CoChair: | Alexander V. Neimark | ||
| 3:15 PM | Introductory Remarks | ||
| 3:16 PM | 289a | Design of Organically Modified Silicas for Carbon Dioxide Adsorption Claudia Prosenjak, Nigel A. Seaton | |
| 3:36 PM | 289b | Simulation of Adsorption in a Modified Zeolite Y Used for Separating Chiral Compounds Siricharn S. Jirapongphan, Juliusz Warzywoda, David E. Budil, Albert Sacco Jr. | |
| 3:56 PM | 289c | Molecular Simulation of Liquid Phase Adsorption of Chain Molecules in Zeolites Sudeep Punnathanam, Randall Q. Snurr | |
| 4:16 PM | 289d | Selectivities for Binary Mixtures of Hydrogen/Methane and Hydrogen/Carbon Dioxide in Silicalite and Ets-10 by Grand Canonical Monte Carlo Techniques Marco Gallo, Tina M. Nenoff, Martha C. Mitchell | |
| 4:36 PM | 289e | Determining Contact Angles from Molecular Simulation Eric M. Grzelak, Jeffrey R. Errington | |
| 4:56 PM | 289f | A Molecular Dynamics Investigation of the Relative Stability of Alkaline Earth Metal-Chloride Complexes in Aqueous Solutions and on Gibbsite Surfaces James P. Larentzos, Louise J. Criscenti | |
| 5:16 PM | 289g | Molecular Simulation of Water Adsorption in Silicalite: Effect of Silanol Groups and Different Cations Ozgur Yazaydin, Robert W. Thompson | |
| 5:36 PM | Concluding Remarks | ||
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See more of The 2006 Annual Meeting