MOLECULAR-DYNAMICS SIMULATIONS OF DIFFUSION IN A CUBIC SYMMETRY ZEOLITE

被引：0
|
作者：
DEMONTIS, P
SUFFRITTI, GB
机构：
来源：
ZEOLITES AND RELATED MICROPOROUS MATERIALS: STATE OF THE ART 1994 | 1994年 / 84卷
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中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Extensive Molecular Dynamics simulations of methane in dealuminated zeolite A at different loadings and temperatures have been performed both with fixed and animated framework. Among other effects, the crucial role of the pore opening in controlling the long range diffusivity is evidenced.
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页码：2107 / 2113
页数：7
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