Contributions of solvent-solvent hydrogen bonding and van der Waals interactions to the attraction between methane molecules in water

Biophysical Chemistry
J A Rank, D Baker

Abstract

The contribution of solvent-solvent hydrogen bonding and van der Waals interactions to the attraction between methane molecules in water was investigated by comparing the potential of mean force (PMF) between two methane molecules in TIP4P water to those in a series of related liquids in which the solvent-solvent interactions were progressively turned off while keeping the solvent-solute interactions unchanged. The magnitude of the attraction between methanes was not significantly changed when the hydrogen bonding interaction between solvent molecules was eliminated and the solvent was maintained in the liquid state by increasing either the pressure or the magnitude of the solvent-solvent van der Waals interaction. However, when solvent-solvent excluded volume interactions were eliminated, the methane molecules interacted no more strongly than in the gas phase. The results are consistent with the idea that the primary contribution of hydrogen bonding to the hydrophobic interaction is to keep water molecules in a liquid state; at constant density, packing interactions rather than hydrogen bonding appear to be critical as suggested by scaled particle theories of solvation. The overall shape of the PMF was, however, changed in the...Continue Reading

References

Aug 7, 1990·Biochemistry·K A Dill
Dec 9, 1996·Physical Review Letters·S GardeL R Pratt
Aug 20, 1996·Proceedings of the National Academy of Sciences of the United States of America·G HummerL R Pratt

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Citations

Dec 19, 2002·Biophysical Chemistry·Noel T Southall, Ken A Dill
Apr 25, 2002·Annual Review of Physical Chemistry·Lawrence R Pratt
Jan 21, 2014·The Journal of Chemical Physics·Tomaž MohoričBarbara Hribar-Lee
Apr 17, 2014·The Journal of Chemical Physics·Matej Huš, Tomaz Urbic
Feb 18, 2020·Physical Chemistry Chemical Physics : PCCP·Karolina ZiebaGiuseppe Graziano
Mar 8, 2011·Journal of Chemical Theory and Computation·Paolo NicoliniRiccardo Chelli

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