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Molecular modeling and Monte Carlo simulation of concentrated aqueous alkali halide solutions at 25 C
A study of concentrated aqueous alkali halide solutions is made at the molecular level, through modeling and computer simulation of their structural and thermodynamic properties. It is found that the HNC approximation is ...
Associating fluids near a hard planar wall
The properties of fluids near a fluid-solid interface are important in many processes, such as: wettability as related to oil recovery and environmental cleanup, biochemical separation, bio-compatibility of materials, ...