A comparison of atomistic simulations and experimental measurements of light gas permeation through zeolite membranes

被引:50
作者
Bowen, TC
Falconer, JL
Noble, RD
Skoulidas, AI
Sholl, DS [1 ]
机构
[1] Univ Colorado, Dept Chem Engn, Boulder, CO 80309 USA
[2] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA
关键词
D O I
10.1021/ie010303h
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
We present experimental and theoretical results for single-component permeance of CH(4) and CF(4) through a supported silicalite membrane at a range of temperatures and pressures. Our theoretical model uses a continuum description of molecular transport through zeolite crystals that is directly parametrized from atomically detailed simulations of molecular adsorption and transport. This approach does not require any assumptions regarding the loading dependence of the adsorbed species' transport or Maxwell-Stefan diffusivities. Our results are the first direct comparison between a fully atomistic description of intracrystalline transport and permeance measurements for a macroscopic zeolite membrane. These results help to isolate the contributions to the overall flux through polycrystalline zeolite membranes that arise from molecular transport through nonzeolitic pores. We also discuss avenues for future extensions and improvements of our atomistic approach to modeling practical zeolite membranes.
引用
收藏
页码:1641 / 1650
页数:10
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