Molecular dynamics computer simulations are used to study the structure, thermodynamics and dynamics of the liquid/vapor interface of water/DMSO (dimethylsulfoxide) mixtures. Both the infinite dilution limit (single DMSO molecule) and four different finite concentration mixtures are investigated. Considered are the potential of mean force for the adsorption of DMSO and the dependence of several surface structural properties (orientation, hydrogen bonding) and surface potential on the bulk concentration of DMSO. The adsorption dynamics are also investigated and compared with a diffusion model. In general, the results are in good agreement with recent experimental measurements.
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Ilan Benjamin (1999) studied this question.
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