THE MFI(ZSM-5)/SORBATE SYSTEMS - COMPARISON BETWEEN STRUCTURAL, THEORETICAL AND CALORIMETRIC RESULTS .1. THE MFI/P-XYLENE SYSTEM

被引：33

作者：

BOSSELET, F ^{[1
]}

SACERDOTE, M ^{[1
]}

BOUIX, J ^{[1
]}

MENTZEN, BF ^{[1
]}

机构：

[1] UNIV LYON 1, PHYSICOCHIM MINERALE LAB IA,CNRS,URA 116,BAT 731, F-69622 VILLEURBANNE, FRANCE

来源：

MATERIALS RESEARCH BULLETIN | 1990年 / 25卷 / 04期

关键词：

D O I：

10.1016/0025-5408(90)90179-6

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using the Buckingham (6-exp) and the Lennard-Jones (6-12) models for the estimation of intermolecular interatomic interactions, reveals that molecular packing analysis in the MFI/p-xylene system is best simulated by the first model, whereas the diffusional activation energy is best calculated by the second one. It is established that reliable results might only be obtained if the starting structural data for the topology/sorbate complexes correspond to realistic experimental results which are known with precision. Theoretical simulations yield an activation energy of 17 kJ/mole for the diffusion of p-xylene in the straight channels. © 1990.

引用

页码：443 / 450

页数：8

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