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Updated: Jul 20, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

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在部分和斯麦克石中扩散和气体流动力学.

Jerry P Owusu1,2, Konstantinos Karalis2, Nikolaos I Prasianakis1

  • 1Laboratory for Waste Management, Paul Scherrer Institute, 5232 Villigen-PSI, Switzerland.

The journal of physical chemistry. C, Nanomaterials and interfaces
|August 2, 2023
PubMed
概括

分子动力学模拟揭示了像He,H2,CO2,Ar和CH4这样的气体如何通过部分和的粘土迁移. 粘土毛孔中的气体扩散和分离取决于和度,毛孔宽度和温度.

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