| Friday, 4 November 2005: 12:30 PM-3:00 PM | |||
| 263 (Cincinnati Convention Center) | |||
Computational Molecular Science and Engineering Forum (21) | |||
| #612 - Theory and Computational Studies of Adsorption (21013) | |||
| We invite papers reporting all aspects of molecular simulation of adsorption processes. Papers dealing with development of new simulation methodologies and papers with both experimental and simulation results are especially encouraged. | |||
| CoChair: | Alberto Striolo | ||
| Chair: | Karl Johnson | ||
| 12:30 PM | Introductory Remarks | ||
| 12:32 PM | 612b | A Dft Study of Mercury Capture on Paper Waste Derived Sorbents Xinxin Li, Paul Blowers | |
| 12:50 PM | 612c | Quantum Sieving of Hydrogen Isotopes in Carbon Nanotubes Giovanni Garberoglio, Karl Johnson | |
| 1:08 PM | 612d | Investigation of the Phase Behavior of a Fluid in the Vicinity of a Nanowire Jeffrey R. Errington, Nathaniel S. Ives | |
| 1:26 PM | 612f | Molecular Dynamics Study of Water Vapor Adsorption into Ordered Mesoprous Silica Katsuhiro Shirono, Hirofumi Daiguji | |
| 1:44 PM | 612g | Theory and Computer Simulation of Adsorption in Templated Molecular Recognition Materials Lev Sarkisov, Paul R. Van Tassel | |
| 2:02 PM | 612h | Anomalous Swelling of Thin Films with CO2 Xiaochu Wang, Isaac C. Sanchez | |
| Sponsor: | Computational Molecular Science and Engineering Forum | ||
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