Reply to the comment on "Molecular Thermodynamics of Hydrophobic Hydration."

Article Abstract:

J.R Grigera and S.G. Kalko argue that a hydrophobic surface increases the degree of hydrogen bonding in water. However, they only studied the average degree of hydrogen bonding in a simulated box of water molecules. They did not specify where increased hydrogen bonding in the system occurs. There are also no values given for the entropy and enthalpy of hydration. The hydrophobic surface in their simulation is made up of a sheet of 'Lennard-Jones argon atoms arranged as the center of water molecules in ice.

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Comment on "Molecular thermodynamics of hydrophobic hydration."

Article Abstract:

N. Besseling and J. Lyklema claim that the negative hydration enthalpy of apolar molecules results from the reduction in the number of repulsive non-hydrogen bonding interactions. However, the presence of a wall composed of nonpolar atoms increases the number of four-hydrogen bonded water molecules. Molecular dynamics simulations indicate that the hydrophobic surface has a greater effect on the properties of the surrounding water rather than the hydrophilic surface.

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