| Tuesday, 1 November 2005: 12:30 PM-3:00 PM | |||
| 213 (Cincinnati Convention Center) | |||
Adsorption and Ion Exchange (02e) | |||
| #223 - Molecular Simulation of Adsorption (02E10) | |||
| To follow. | |||
| Chair: | Alexander V. Neimark | ||
| 12:30 PM | 223a | Adsorption Simulations and Biology: Grand Canonical Monte Carlo Calculations of Binding Locations, Occupancy, and Free Energies of Xenon in Comp and Mutant Phage T4 Lysozyme L99a Brian K. Peterson, Carlos A. Valenzuela, Juan Carlos Sacristan Martin, Nicholas P. Franks | |
| 12:50 PM | 223b | Water Adsorption Isotherms in Molecularly Reconstructed Models of Activated and Un-Activated Carbons Obtained from Saccharose Alberto Striolo, Surendra K. Jain, Jorge P. Pikunic, Roland J.-M. Pellenq, Ariel Chialvo, Keith E. Gubbins, Peter T. Cummings | |
| 1:10 PM | 223c | Coarse Graining of Molecular Models for Fluids in Porous Materials Bradd Libby, Peter A. Monson | |
| 1:30 PM | 223d | Adsorption of Nitrogen and Methane in Ets-4 Gemma Bosch, Flor R. Siperstein, Martin Lisal | |
| 1:50 PM | 223e | Adsorption of Water in Polyoxoniobate Materials. a Molecular Simulation Investigation James P. Larentzos, François Bonhomme, May Nyman, Edward J. Maginn | |
| 2:10 PM | 223f | Density Functional Theory Model of Adsorption on Amorphous and Microporous Solids Peter I. Ravikovitch, Alexander V. Neimark | |
| 2:30 PM | 223g | Comparison of Adsorption of Spherical and Non-Spherical Nitrogen in Parallel Slit Pores Using Density Functional Theory: Density Profiles and Pore Size Distributions Bryan J. Schindler, Clare McCabe, Peter T. Cummings, M. Douglas LeVan | |
| Sponsor: | Separations Division | ||
| Cosponsors: | Computational Molecular Science and Engineering Forum | ||
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