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Molecular dynamics simulations of charged and neutral solutes in dimethyl sulfoxide (DMSO)–chloroform mixtures reveal pronounced nonideality in the solute diffusion with changes of composition of the mixtures. The diffusion coefficient of the anionic solute first decreases, passes through a minimum at DMSO mole fraction of about 0.50, and then increases to reach its value for pure DMSO. The diffusion...
Structural, energetics and dynamical properties of acetone–chloroform mixtures containing an ionic or a neutral solute are investigated using molecular dynamics simulations. The primary goal has been to look at the nonideality in dynamical properties on changes of composition. Our calculations reveal the nature of selective solvation that plays a role in determining the nonideal dynamical characteristics...
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