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 PMIntroductory Remarks
3:16 PMDesign of Organically Modified Silicas for Carbon Dioxide Adsorption
Claudia Prosenjak, Nigel A. Seaton
3:36 PMSimulation 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 PMMolecular Simulation of Liquid Phase Adsorption of Chain Molecules in Zeolites
Sudeep Punnathanam, Randall Q. Snurr
4:16 PMSelectivities 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 PMDetermining Contact Angles from Molecular Simulation
Eric M. Grzelak, Jeffrey R. Errington
4:56 PMA 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 PMMolecular Simulation of Water Adsorption in Silicalite: Effect of Silanol Groups and Different Cations
Ozgur Yazaydin, Robert W. Thompson
5:36 PMConcluding Remarks

See more of Separations Division

See more of The 2006 Annual Meeting