A molecular dynamics simulation of a homogeneous organic-inorganic hybrid silica membrane.
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.
Department of Chemical Engineering, Hiroshima University, Higashi-Hiroshima, 739-8527, Japan.
Kai-Shiun
KS
Chang
Tomohisa
T
Yoshioka
Masakoto
M
Kanezashi
Toshinori
T
Tsuru
Kuo-Lun
KL
Tung