Literature DB >> 17135352

Note on the energy density in the solvent induced by a solute.

B Widom1, Dor Ben-Amotz.   

Abstract

The question of how far the effect of the presence of a solute molecule propagates into the solvent is studied in a lattice model that had been used earlier to describe hydrophobic interactions. The local energy density in the model solvent is obtained as an explicit function of distance from the solute and is found to decay to its bulk-phase value with the same decay length as that of the solvent-mediated part of the potential of mean force between a pair of solute molecules. The integrated deviation of the energy density from its bulk-phase value is evaluated in Bethe-Guggenheim approximation and shown to be identical to the energy change accompanying the dissolution of the solute as obtained from the temperature dependence of its solubility.

Year:  2006        PMID: 17135352      PMCID: PMC1748146          DOI: 10.1073/pnas.0608996103

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  5 in total

1.  Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: a detailed structural and energetical analysis based on molecular dynamics simulations.

Authors:  Dietmar Paschek
Journal:  J Chem Phys       Date:  2004-06-08       Impact factor: 3.488

2.  Global thermodynamics of hydrophobic cavitation, dewetting, and hydration.

Authors:  Dor Ben-Amotz
Journal:  J Chem Phys       Date:  2005-11-08       Impact factor: 3.488

3.  Hydration of an apolar solute in a two-dimensional waterlike lattice fluid.

Authors:  C Buzano; E De Stefanis; M Pretti
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2005-05-25

4.  Solvation thermodynamics: theory and applications.

Authors:  Dor Ben-Amotz; Fernando O Raineri; George Stell
Journal:  J Phys Chem B       Date:  2005-04-14       Impact factor: 2.991

5.  Generalized solvation heat capacities.

Authors:  Dor Ben-Amotz; B Widom
Journal:  J Phys Chem B       Date:  2006-10-12       Impact factor: 2.991

  5 in total

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