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Updated: May 20, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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メタノールからオレフィン (MTO):ダイナミック・コンプレックス・カタリシスの理解と制御

Shanfan Lin1, Hua Li1, Peng Tian1

  • 1National Engineering Research Center of Lower-Carbon Catalysis Technology, Dalian National Laboratory for Clean Energy, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China.

Journal of the American Chemical Society
|March 26, 2025
PubMed
まとめ

メタノールからオレフィンへの変換 (MTO) は複雑な触媒プロセスです. 研究は,最適化されたMTO触媒と産業プロセスの反応機構と工学の理解を進めてきました.

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