Adsorption and Ion Exchange |
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| Session 490 - 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: | Alexander V. Neimark | ||
| CoChair: | Alain H. Fuchs | ||
| CoSponsor(s): | Computational Molecular Science and Engineering Forum |
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| 490a | Molecular Modeling of Enantioselective Adsorption In Homochiral Metal-Organic Frameworks Xiaoying Bao, Linda J. Broadbelt, Randall Q. Snurr |
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| 490b | Predicting the Capability of Metal Organic Frameworks to Selectively Pre-Concentrate Energetic Molecules Ruichang Xiong, Jared T Fern, David J. Keffer, Miguel A. Fuentes-Cabrera, Don M. Nicholson |
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| 490c | Effect of Water on Binary Adsorption of Nitrogen and Oxygen In Zeolite Na-X: A Molecular Simulation Study Craig R. Powers, Edward J. Maginn |
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| 490d | Adsorption of Sulfur Hexafluoride on Mcm-41: Predictions from Molecular Simulations Aurelio Olivet, Lourdes F. Vega |
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| 490e | How Does Nanoscale Roughness Influence Wetting Behavior? Eric M. Grzelak, Jeffrey R. Errington |
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| 490f | Metal–Organic Frameworks for CO2 Storage and CO2/CH4 Separation Ravichandar Babarao, Jianwen Jiang |
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| 490g | Computational Investigation of Window Size Effects on Gas Transport In High Silica 8-Ring Zeolites Preeti Kamakoti, Sang-Eun Jee, Ronald R. Chance, Sebastian C. Reyes, David S. Sholl |
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| 490h | Molecular Simulation of CO2 and CO2/CH4 Mixture Adsorption and Diffusion In Metal-Organic Frameworks Jinchen Liu, Seda Keskin, Rees B. Rankin, J. Karl Johnson, David S. Sholl |
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| 490i | Molecular Modeling and Adsorption Properties of Silica Templated Mesoporous Carbons Surendra K. Jain, Keith E. Gubbins, Roland J.-M. Pellenq |
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