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Hydrophobicity in Lennard-Jones solutions
2011
Physical Chemistry, Chemical Physics - PCCP
The analogue of the hydrophobic hydration is explored for Lennard-Jones solutions. The free energy of solvation and its temperature derivatives, both in the constant-pressure process and in the constant-volume process, are obtained numerically for a variety of the size and energy parameters for the solute-solvent Lennard-Jones potential. We identify in the parameter space a region in which the solvation is of hydrophobic character, with an understanding that hydrophobicity is characterized by
doi:10.1039/c0cp01767a
pmid:21116568
fatcat:yraf3wvidzhutb3j47rxyxfqs4