Issue 48, 2010
From the journal:

Chemical Communications

A molecular dynamics simulation of a homogeneous organic–inorganic hybrid silicamembrane†

Kai-Shiun Chang,ab   Tomohisa Yoshioka,*a   Masakoto Kanezashi,a   Toshinori Tsurua  and  Kuo-Lun Tung*b  

* Corresponding authors

a Department of Chemical Engineering, Hiroshima University, Higashi-Hiroshima, Japan
E-mail: tom@hiroshima-u.ac.jp
Fax: +81 82-424-5494
Tel: +81 82-424-7719

b R&D Center for Membrane Technology and Department of Chemical Engineering, Chung Yuan Christian University, Chungli 32023, Taiwan
E-mail: kuolun@cycu.edu.tw
Fax: +886 3-2654199
Tel: +886 3-265-4129

Abstract

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.

Graphical abstract: A molecular dynamics simulation of a homogeneous organic–inorganic hybrid silica membrane

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Article information

DOI
https://doi.org/10.1039/C0CC02531C
Article type
Communication
Submitted
13 Jul 2010
Accepted
21 Oct 2010
First published
08 Nov 2010

Chem. Commun., 2010,46, 9140-9142

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

K. Chang, T. Yoshioka, M. Kanezashi, T. Tsuru and K. Tung, Chem. Commun., 2010, 46, 9140 DOI: 10.1039/C0CC02531C

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