MFIゼオライト結晶化のための粗視化反応性分子動力学と強化サンプリング手法の組み合わせ
Da Zheng1,2, Junfeng Wang1,3, Hongqiang Cui1,2
1State Key Laboratory of Chemical Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
無秩序な材料から秩序だった結晶への微視的なステップを明らかにするゼオライト結晶化をシミュレーションする新しいモデルを開発しました。これは触媒および分離用途のためのゼオライト形成の理解を深めます。
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