Abstract
The structural and thermodynamic properties of aqueous dimethyl sulfoxide (DMSO) at a mole fraction of 0.002 were investigated using referenced interaction site model theory at different temperatures. The results reveal that the water network structure is enhanced by the presence of DMSO. The increased fluctuation in the potential of mean force suggests that the water-induced force is repulsive. In addition, the increased entropy of solvation and free energy of solvation imply that the randomness of the solution increases with an increase in temperature. The increased interaction energy and excess chemical potential reveal that the solution deviates from an ideal solution. Furthermore, the increased cavity reorganization energy shows that the system structure reorganizes easily at high temperature.
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