Figure 1.

Thermodynamic cycle of the solvation process. Solvation free energy (△G_sol) is decomposed into polar (△G_pol) and nonpolar(△G_np) contributions. The steps involve uncharging the solute in vacuum $\left(\mathrm{\Delta }{G}_{pol}^v\right)$, removing the solute-solvent interaction in vacuum (no free energy change), creating a solute cavity ($\mathrm{\Delta }{G}_{np}^{cav}$), establishing uncharged solute-solvent interaction in solvent ($\mathrm{\Delta }{G}_{np}^{vdw}$), and charging the solute in solvent ($\mathrm{\Delta }{G}_{pol}^w$). The figure is adapted from Levy et al.²²