Model for the hydration of nonpolar compounds and polymers

Pierpaolo Bruscolini and Lapo Casetti
Phys. Rev. E 64, 051805 – Published 22 October 2001
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Abstract

We introduce an exactly solvable statistical-mechanical model of the hydration of nonpolar compounds, based on grouping water molecules in clusters where hydrogen bonds and isotropic interactions occur; interactions between clusters are neglected. Analytical results show that an effective strengthening of hydrogen bonds in the presence of the solute, together with a geometric reorganization of water molecules, are enough to yield hydrophobic behavior. We extend our model to describe a nonpolar homopolymer in aqueous solution, obtaining a clear evidence of both “cold” and “warm” swelling transitions. This suggests that our model could be relevant to describe some features of protein folding.

  • Received 17 October 2000

DOI:https://doi.org/10.1103/PhysRevE.64.051805

©2001 American Physical Society

Authors & Affiliations

Pierpaolo Bruscolini*

  • Istituto Nazionale per la Fisica della Materia (INFM) and Dipartimento di Fisica, Politecnico di Torino, Corso Duca degli Abruzzi 24, I-10129 Torino, Italy

Lapo Casetti

  • Istituto Nazionale per la Fisica della Materia (INFM), Unità di Ricerca di Firenze, Largo Enrico Fermi 2, I-50125 Firenze, Italy

  • *Electronic address: pbr@athena.polito.it
  • Electronic address: casetti@fi.infn.it

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Issue

Vol. 64, Iss. 5 — November 2001

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