Tuesday, 1 November 2005: 8:00 AM-10:30 AM
Grand Ballroom B (Millennium Hotel)

Thermodynamics and Transport Properties (01a)

#192 - Transport in Nanoporous Materials (01A12)
Transport in nanoporous materials plays a key role in adsorption separations, membranes, and heterogeneous catalysis. The close interaction of diffusing molecules and the pore walls, however, creates a unique diffusional regime that is not well understood. Talks in this session will discuss transport in nanoporous materials, including new developments in theoretical descriptions, insights from molecular simulation, experimental probes, and unique ways of exploiting nanopore diffusion in practical applications.
CoChair:Karl Johnson
Chair:Randy Snurr
8:00 AMMD Simulations of Water and Sodium Counter-Ion Diffusion in the Pores of Beta - Lactoglobulin Crystals
Kourosh Malek, Theo Odijk, Marc-Olivier Coppens
8:18 AMPore Accessibility and Ion Transport in Ordered Mesoporous Silica Thin Films Determined by Electrochemical Methods
Ta-Chen Wei, Hugh W. Hillhouse
8:36 AMSpatially Resolved Measurements of Transport of Guest Molecules in Nanoporous Molecular Sieve Membranes
Weontae Oh, Sankar Nair
8:54 AMMultiscale Modeling for Bridging Disparate Scales of Diffusion in Polycrystalline Microporous Membranes
Mark A. Snyder, Dionisios G. Vlachos
9:12 AMTransport of CO2 and N2 through Single-Walled Carbon Nanotube Membranes
Anastasios Skoulidas, David S. Sholl, Karl Johnson
9:30 AMComputer Simulations of Adsorption and Transport of a Quaternary Mixture Including Hydrogen in Zsm-5 and Silicalite
Martha C . Mitchell, Marco Gallo-Estrada, Venkata Krishna K. Upadhyayula, Tina M. Nenoff
9:48 AMThe Role of Diffusion in Separation of Gas Mixtures Using a Range of Zeolite Membranes: a Molecular Dynamics Study
Wei Jia, Sohail Murad
10:06 AMModeling Permeation in Nanoporous Media with Lattice Density Functional Theory
Daniel Matuszak, Gregory L. Aranovich, Marc D. Donohue
Sponsor:Engineering Sciences and Fundamentals
Cosponsors:Separations Division

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