Previous studies, explaining the breakdown of Stokes-Einstein relation using the
translational jump-diffusion (TJD) approach, hinted an important relationship between the …

A molecular dynamics (MD) investigation of LiCl in water, methanol, and ethylene glycol
(EG) at 298 K is reported. Several structural and dynamical properties of the ions as well as …

Many researchers have studied potassium chloride aqueous solutions, whereas, for the
tests were carried out at different conditions, the results with diverse concentrations were not …

Thermodynamic and diffusion properties of water+ methane mixtures in a single liquid
phase are studied using NVT molecular dynamics. An extensive comparison is reported for …

Theoretical description of ion diffusion in organic liquids is challenging due to the solvation
effects and complexity of organic molecules. This article presents a universal model for the …

Molecular dynamics simulation was used to calculate the self-diffusion coefficients of ginger
bioactive compounds (6-gingerol and 6-shogaol) in subcritical water with the presence of …

Single particle force distributions in simple fluids | The Journal of Chemical Physics | AIP
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The objectives of this work is to use molecular dynamic simulation to systematically
investigate all basic properties of water and aqueous solutions of neon, argon, krypton …