English

Model for the hydration of non-polar compounds and polymers

Statistical Mechanics 2009-11-07 v1 Soft Condensed Matter

Abstract

We introduce an exactly solvable statistical-mechanical model of the hydration of non-polar 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 non-polar 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.

Keywords

Cite

@article{arxiv.cond-mat/0201254,
  title  = {Model for the hydration of non-polar compounds and polymers},
  author = {Pierpaolo Bruscolini and Lapo Casetti},
  journal= {arXiv preprint arXiv:cond-mat/0201254},
  year   = {2009}
}

Comments

REVTeX, 6 pages, 3 figures