MOBILITY OF ADSORBED SPECIES IN ZEOLITES - METHANE, ETHANE, AND PROPANE DIFFUSIVITIES

被引：65

作者：

NOWAK, AK

DENOUDEN, CJJ

PICKETT, SD

SMIT, B

CHEETHAM, AK

POST, MFM

THOMAS, JM

机构：

[1] UCL ROYAL INST GREAT BRITAIN, DAVY FARADAY RES LAB, 21 ALBEMARLE ST, LONDON W1X 4BS, ENGLAND

[2] SHELL INT RES MAATSCHAPPIJ BV, KONINKLIJKE SHELL LAB, 1031 CM AMSTERDAM, NETHERLANDS

[3] UNIV OXFORD, CHEM CRYSTALLOG LAB, OXFORD OX1 3PD, ENGLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1991年 / 95卷 / 02期

关键词：

D O I：

10.1021/j100155a067

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：

Molecular dynamics simulations were performed in order to study the influence of the zeolite structure on molecular migration in the zeolitic void space. The migration of methane in various zeolitic environments was examined by using the all-silica polymorphs of zeolite EU-1, mordenite, and silicalite. Furthermore, diffusion simulations of ethane and propane in silicalite were carried out and computed diffusion characteristics were compared with experimental data.

引用

页码：848 / 854

页数：7

共 28 条

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