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Author

Zhe-Hui Jin

2 papers indexed here

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Sep 2026

Thermodynamic Mechanisms of Water Molecule Adsorption and Hydration Stability at Bentonite Interfaces under High-Temperature and Saline Conditions

Solid–liquid interfacial interactions between montmorillonite (MMT) and aqueous fluids are critical in petroleum engineering. Molecular dynamics simulations were conducted to investigate the MMT surface hydration at elevated temperatures (403–583 K) and varying salinities (0.112/0.448 mol/L NaCl, KCl, and CaCl2). The...

Xiao-Hui Wang, Jia-Fang Xu, Zhe-Hui Jin et al. · 0 citations
Aug 2026

Microscopic origin of pressure-dependent diffusion in supercritical carbon dioxide from ab initio molecular dynamics.

The pressure-dependent structural and diffusion properties of supercritical carbon dioxide (scCO2) were systematically investigated using ab initio molecular dynamics simulations. The results reveal two distinct molecular populations in scCO2: mobile isolated species and relatively rigid clustered counterparts. At low...

Yue Li, Jia-Rui Zhang, Xu Liu et al. · 0 citations

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