The mechanism of hydrophobic solvation depends on solute radius

Article Abstract:

A model of the aqueous solvation of a nonpolar solute as a function of its radius is presented, using the Mercedes Benz model of water. The hydrophobic effect is described.

Solvation

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Extracting microscopic energies from oil-phase solvation experiments

Article Abstract:

A two-dimensional lattice model of hydrocarbon liquids in the canonical (NVT) ensemble Monte Carlo simulations to test strategies for converting partitioning data to contact energies. It is found that rather than using mu(sub wat) - mu(sub oil) and subtracting assumed entropies, it is better to use mu(sub wat) - h(sub oil), where h(sub oil) is the solute's enthalpy of solvation in the oil phase.

Usage, Hydrocarbons, Solution (Chemistry), Solutions (Chemistry), Monte Carlo method, Monte Carlo methods

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Response to "Comment on 'The mechanism of hydrophobic solvation depends on solute radius', J. Phys. Chem. B 2000, 104, 1326"

Article Abstract:

A reply is provided for the comments that were presented for the paper on 'The Mechanism of Hydrophobic Solvation Depends on Solute Radius', where it is stressed that the goal was to study the effects of the solute radius alone. More attention was paid to the size of the solutes and spherical solutes.

Observations, Water, Hydrophobic effect

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