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

Chang K.-S.Yoshioka T.Kanezashi M.Tsuru T.Tung K.-L.2019-05-242019-05-24201013597345https://scholars.lib.ntu.edu.tw/handle/123456789/410466A 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. ? 2010 The Royal Society of Chemistry.A molecular dynamics simulation of a homogeneous organic-inorganic hybrid silica membranejournal article10.1039/c0cc02531c2-s2.0-78649641642https://www.scopus.com/inward/record.uri?eid=2-s2.0-78649641642&doi=10.1039%2fc0cc02531c&partnerID=40&md5=29c74d89a05afd451c4b77ec63a11e92