A molecular dynamics simulation of a homogeneous organic-inorganic hybrid silica membrane

被引：66

作者：

Chang, Kai-Shiun ^{[1
,2
,3
]}

Yoshioka, Tomohisa ^{[1
]}

Kanezashi, Masakoto ^{[1
]}

Tsuru, Toshinori ^{[1
]}

Tung, Kuo-Lun ^{[2
,3
]}

机构：

[1] Hiroshima Univ, Dept Chem Engn, Higashihiroshima 7398527, Japan

[2] Chung Yuan Christian Univ, Dept Chem Engn, Chungli 32023, Taiwan

[3] Chung Yuan Christian Univ, R&D Ctr Membrane Technol, Chungli 32023, Taiwan

来源：

CHEMICAL COMMUNICATIONS | 2010年 / 46卷 / 48期

关键词：

FREE-VOLUME; SEPARATION MEMBRANES; GAS PERMEATION; DIFFUSION; POLYMERS; DISTRIBUTIONS; ISOMERS; SIZE;

D O I：

10.1039/c0cc02531c

中图分类号：

O6 [化学];

学科分类号：

070301 [无机化学];

摘要：

A new molecular dynamics simulation method was successfully applied to construct a homogeneous organic-inorganic hybrid silica membrane using the hybrid-pcff (h-pcff) potential function. Analysis suggested that the hybrid BTESE silica membrane provided a looser network and larger cavity size for the enhancement of gas permeability and selectivity.

引用

收藏

页码：9140 / 9142

页数：3

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