Adsorption and Ion Exchange | |||
| Session 289 - Molecular Simulation of Adsorption II | |||
| 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 | ||
| Introductory Remarks | |||
| 289a | Design of Organically Modified Silicas for Carbon Dioxide Adsorption Claudia Prosenjak, Nigel A. Seaton | ||
| 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. | ||
| 289c | Molecular Simulation of Liquid Phase Adsorption of Chain Molecules in Zeolites Sudeep Punnathanam, Randall Q. Snurr | ||
| 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 | ||
| 289e | Determining Contact Angles from Molecular Simulation Eric M. Grzelak, Jeffrey R. Errington | ||
| 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 | ||
| 289g | Molecular Simulation of Water Adsorption in Silicalite: Effect of Silanol Groups and Different Cations Ozgur Yazaydin, Robert W. Thompson | ||
| Concluding Remarks | |||
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