CALCULATION OF MADELUNG POTENTIALS FOR FAUJASITE-TYPE ZEOLITES .I.

被引:126
作者
DEMPSEY, E
机构
[1] Mobil Research and Development Corporation, Research Department, Central Research Division, Princeton
关键词
D O I
10.1021/j100845a018
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
Using the assumption of complete ionicity, Madelung potentials for the ions in ordered models of X and Y faujasites have been calculated for various cation sizes, valencies, and distributions. For monovalent zeolites the results of the calculations agree well with ionic distributions found from X-ray studies. For divalent zeolites divergences between the results of the calculations and ionic distributions derived from crystallographic studies are explained on the basis that the materials used for the X-ray diffraction work retained a small amount of water.
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页码:3660 / &
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