【4/18更新】CiNii ArticlesのCiNii Researchへの統合について

A New Algorithm of Boundary-Driven Type Non-Equilibrium Molecular Dynamics for Simulating Membrane Permeation of Gas Mixtures(SC)

  • Furukawa Shin-ichi
    Division of Chemical Engineering, Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University
  • Nitta Tomoshige
    Division of Chemical Engineering, Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University

書誌事項

タイトル別名
  • A New Algorithm of Boundary-Driven Type Non-Equilibrium Molecular Dynamics for Simulating Membrane Permeation of Gas Mixtures
  • New Algorithm of Boundary Driven Type Non Equilibrium Molecular Dynamics for Simulating Membrane Permeation of Gas Mixtures SC

この論文をさがす

抄録

A Boundary-Driven type Non-Equilibrium MD (BD-NEMD) technique combined with the μVT-MC and NpT-Gibbs MC methods has been developed to simulate membrane permeation of gas mixtures. By using the new technique, simulations were carried out on permeation of binary mixtures, which consist of two kinds of LJ fluids differing in the LJ energy parameter and the molar mass. Two important results were obtained; (1) the permselectivity is affected by two factors, the adsorption equilibrium selectivity and the difference in molecular diffusivity, and (2) it increases as the weakly adsorptive molecules diffuse more slowly.

収録刊行物

被引用文献 (0)*注記

もっと見る

参考文献 (24)*注記

もっと見る

関連論文

もっと見る

関連研究データ

もっと見る

関連図書・雑誌

もっと見る

関連博士論文

もっと見る

関連プロジェクト

もっと見る

関連その他成果物

もっと見る

詳細情報

問題の指摘

ページトップへ