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...