629 Molecular Simulation of Adsorption I

Thursday, November 7, 2013: 8:30 AM
Union Square 5 (Hilton)
This session presents the most recent advances in the molecular simulations of adsorbents, adsorption phenomena, molecular recognition, adsorption properties and parameters, and mass transfer kinetics and properties.

Adsorption and Ion Exchange
Computational Molecular Science and Engineering Forum (21)

Alexander V. Neimark
Email: aneimark@rutgers.edu

Alberto Striolo
Email: astriolo@ou.edu

- indicates paper has an Extended Abstract file available on CD.

9:02 AM
(629c) First Principles Derived, Transferable Force Fields for CO2 Adsorption in Cation-Exchanged Zeolites
Hanjun Fang, Preeti Kamakoti, Stephen Cundy, Quanchang Li, Peter I. Ravikovitch, Charanjit Paur, Matthew Aronson and David S. Sholl
File available
9:34 AM
(629e) Virial Coefficient Theory for Adsorption of Gas Mixtures
Jung Ho Yang, Andrew J. Schultz, Jeffrey R. Errington and David A. Kofke

10:22 AM

10:38 AM
(629i) Branched Versus Linear Alkane Adsorption in Carbonaceous Slit Pores
Alex Harrison, Jens Krueger-Venus, Roger Cracknell and Lev Sarkisov
See more of this Group/Topical: Separations Division