Preliminary Program subject to change
21013 Theory and Computational Studies of Adsorption
OverviewWe 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.
Primary SponsorComputational Molecular Science and Engineering Forum (21)

Chair

Karl Johnson
University of Pittsburgh
1249 Benedum Hall
Department of Chemical Engineering
Pittsburgh, PA 15261
Phone Number: 412 624 5644
Fax Number: 412 624 9639
Email: karlj@pitt.edu

CoChair

Alberto Striolo
Assistant Professor
School of Chemical Biological and Materials Engineering
University of Oklahoma
Norman, OK 73019
Phone Number: 615 322 8793
Email: astriolo@yahoo.com
Introductory Remarks
A Dft Study of Mercury Capture on Paper Waste Derived Sorbents
Xinxin Li, Department of Chemical and Environmental Engineering, University of Arizona, 1133 E NORTH CAMPUS DR ROOM 106, Tucson, AZ 85721 and Paul Blowers, Department of Chemical and Environmental Engineering, University of Arizona, PO Box 210011, Tucson, AZ 85721-0011, Tucson, AZ 85719
Quantum Sieving of Hydrogen Isotopes in Carbon Nanotubes
Giovanni Garberoglio, NETL and University of Pittsburgh, 626 Cochran Mills Rd, Pittsburgh, PA 15236 and Karl Johnson, University of Pittsburgh, 1249 Benedum Hall, Department of Chemical Engineering, Pittsburgh, PA 15261
Investigation of the Phase Behavior of a Fluid in the Vicinity of a Nanowire
Jeffrey R. Errington, Dept. of Chemical and Biological Engineering, University at Buffalo, 509 Furnas Hall, Buffalo, NY 14260 and Nathaniel S. Ives, Dept. of Chemical and Biological Engineering, University at Buffalo, Buffalo, NY 14260
Molecular Dynamics Study of Water Vapor Adsorption into Ordered Mesoprous Silica
Katsuhiro Shirono and Hirofumi Daiguji, Institute of Environmental Studies, Gradate School of Frontier Sciences, The University of Tokyo, Tokyo, Japan
Theory and Computer Simulation of Adsorption in Templated Molecular Recognition Materials
Lev Sarkisov, Yale University, Chemical Enginnering Department, Yale University P.O. Box 208286, New Haven, CT 06520 and Paul R. Van Tassel, Yale University, Department of Chemical Engineering, P.O. Box 208286, New Haven, CT 06520-8286
Anomalous Swelling of Thin Films with CO2
Xiaochu Wang, Chemical Engineering, University of Texas at Austin, 1 University Station C0400, Austin, TX 78712 and Isaac C. Sanchez, University of Texas at Austin, Department of Chemical Engineering, Austin, TX 78712

Computational Molecular Science and Engineering Forum