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We modelled the aqueous solvation of a nonpolar solute as a function of theradius, temperature and pressure. In this study a simple two-dimensionalMercedes-Benz (MB) water model was used in NPT Monte Carlo simulations. Thismodel has previously been shown to qualitatively predict the volume anomaliesof pure water and the free energy, enthalpy, entropy, heat capacity, and volumechange in order to insert a nonpolar solute into water. Here, we extended thestudies of solvation of nonpolar solute to examine the pressure dependence andbroader range of temperature and size dependence. The model shows two differentmechanisms, one for the solvation of large nonpolar solutes bigger than waterand the second for smaller solutes.

Pressure dependence of solvation of non-polar solute in simple model of water