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Updated: Jul 25, 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Mg-CO-H系统中,使用初始热力学来定位Artinite (Mg2CO3OH) 2·3H2O) 的位置

Joshua S Tse1, James Grant2, Jonathan M Skelton3

  • 1Department of Chemistry, University of Huddersfield, Queensgate, Huddersfield, HD1 3DH, UK. M.Molinari@hud.ac.uk.

Physical chemistry chemical physics : PCCP
|June 28, 2023
PubMed
概括

这项研究以计算方式建模了MgO-CO2-H2O系统,揭示了转移稳定的Artinite阶段. 优化合成条件可以稳定这个被忽视的化和碳化阶段,用于工业应用.

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