Session 244 - Molecular Simulation of Adsorption I


Adsorption and Ion Exchange
Session 244 - Molecular Simulation of Adsorption I
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:	Flor R. Siperstein
		Introductory Remarks
	244a	Computer Simulation of Adsorption in Templated Molecular Recognition Materials Lev Sarkisov, Paul R. Van Tassel
	244b	Adsorption from Dilute Liquid Solutions: Molecular Dynamics Simulations Using the Mean Force Method Werner Billes, Rupert Tscheliessnig, Lukas Geyrhofer, Martin Wendland, Johann A. Fischer
	244c	Studies of a Lattice Model of Water Confined in a Slit Pore J. Liu, P. A. Monson, F. Van Swol
	244d	Water Condensation in Hydrophobic Zeolitic Nanopores Alain H. Fuchs
	244e	Density Functional Theory Model of Adsorption on Amorphous and Microporous Silica Materials Peter I. Ravikovitch, Alexander V. Neimark
	244f	Molecular Simulation of Adsorption in Polycrystalline Nanoporous Materials Nayong Kim, Theodore T. Tsotsis, Muhammad Sahimi
	244g	Gcmc Simulations of Adsorption of Argon in Slit Pores with Defected Walls Duong D. Do, David Nicholson, Ha Do
		Concluding Remarks

Adsorption and Ion Exchange