均质有机-无机杂化硅膜的分子动力学模拟。
A molecular dynamics simulation of a homogeneous organic-inorganic hybrid silica membrane.
机构信息
Department of Chemical Engineering, Hiroshima University, Higashi-Hiroshima, 739-8527, Japan.
出版信息
Chem Commun (Camb). 2010 Dec 28;46(48):9140-2. doi: 10.1039/c0cc02531c. Epub 2010 Nov 8.
PMID:21060918
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.
摘要
一种新的分子动力学模拟方法成功地应用于使用混合-pcff（h-pcff）势能函数构建均质有机-无机杂化硅膜。分析表明，杂化 BTESE 硅膜为增强气体透过率和选择性提供了更宽松的网络和更大的腔尺寸。
Zotero 插件