The potential of mean force in simple polar/non-polar mixtures
Daphnee Levesque, J. J. Weis, Grenfell N. Patey
Abstract
Daphnee Levesque, J. J. Weis, Grenfell N. Patey
Abstract
The quadratic hypernetted-chain approximation is solved for a hard sphere solute dissolved in a dipolar hard sphere solvent in the infinite dilution limit. The theory proves interesting since it yields a solute-solute potential of mean force which depends upon the dipole moment of the solvent. Significant solvophobic effects which increase with solvent dipole moment are observed. The effect of varying the solute/solvent diameter ratio is also examined.
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The quadratic hypernetted-chain approximation is solved for a hard sphere solute dissolved in a dipolar hard sphere solvent in the infinite dilution limit. The theory proves interesting since it yields a solute-solute potential of mean force which depends upon the dipole moment of the solvent. Significant solvophobic effects which increase with solvent dipole moment are observed. The effect of varying the solute/solvent diameter ratio is also examined.
Key concepts: Solvophobic, Dipole, Potential of mean force, Dilution, Solvent, Polar, Moment (physics), Chemistry