Monte Carlo simulations of solvation of a point dipole in dipolar-quadrupolar solvents of varying dipole moment and axial quadrupole were carried out. It was found that changes in solvent quadrupole result in variations of the solvation chemical potential opposite to those predicted by dielectric solvation models for solvents of arbitrary polarity.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry