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Molecular Simulation of Gases in Porous Silicates

Published online by Cambridge University Press:  28 February 2011

Phillip I. Pohl  and
Douglas M. Smith
Phillip I. Pohl
Affiliation:
Sandia National Laboratories, Albuquerque, NM 87185-0727; Dept. Chemical Engineering, University of New Mexico, Albuquerque, NM 87131;
Douglas M. Smith
Affiliation:
Dept. Chemical Engineering, University of New Mexico, Albuquerque, NM 87131; NanoPore Corporation, Albuquerque, NM 87106
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Abstract

In this work we generate computer models of zeolites, imogolite, and microporous silica and evaluate the pore structure of each. Our purpose is to contrast the diffusional aspects of gases in these different materials with respect to their application as gas separating membranes. The concepts of Knudsen, surface and micropore diffusion will be evaluated for each model. The advantage of modeling these materials and processes with available molecular techniques is clearly demonstrated by testing assumptions of highly regarded theories.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 371: Symposium W1 – Advances in Porous Materials , 1994 , 27
Copyright
Copyright © Materials Research Society 1995

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