Disorder-induced time-dependent diffusion in zeolites

被引:20
作者
Chen, LG [1 ]
Falcioni, M [1 ]
Deem, MW [1 ]
机构
[1] Univ Calif Los Angeles, Dept Chem Engn, Los Angeles, CA 90095 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2000年 / 104卷 / 25期
关键词
D O I
10.1021/jp9943979
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
We suggest that disordered framework aluminums and nonframework cations can create a disordered electrostatic potential in zeolites that can lead to a discrepancy between diffusivities measured by microscopic and macroscopic experimental techniques. We calculate the value of the discrepancy and the characteristic time scale at which it occurs for several ionic and polarizable species diffusing in zeolites. For ionic species, a discrepancy is almost inevitable. For polarizable species, a significant discrepancy may occur in some zeolites only for long alkanes or large species such as benzene.
引用
收藏
页码:6033 / 6039
页数:7
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