Application of a twolength scale field theory to the solvation of charged molecules: I. Hydrophobic effect revisited
Abstract
On a basis of a twolength scale description of hydrophobic interactions we develop a continuous selfconsistent theory of solutewater interactions which allows to determine a hydrophobic layer of a solute molecules of any geometry with explicit account of solvent structure described by its correlation function. We compute the mean solvent density profile n(r) surrounding the spherical solute molecule as well as its solvation free energy. We compare the twolength scale theory to the numerical data of MonteCarlo simulations found in the literature and discuss the possibility of a selfconsistent adjustment of the free parameters of the theory. In the frameworks of the discussed approach we compute also the solvation free energies of alkane molecules and the free energy of interaction of two spheres separated by some distance. We describe the general setting of a selfconsistent account of electrostatic interactions in the frameworks of the model where the water is considered not as a continuous media, but as a gas of dipoles. We analyze the limiting cases where the proposed theory coincides with the electrostatics of a continuous media.
 Publication:

arXiv eprints
 Pub Date:
 May 2005
 DOI:
 10.48550/arXiv.condmat/0505337
 arXiv:
 arXiv:condmat/0505337
 Bibcode:
 2005cond.mat..5337S
 Keywords:

 Condensed Matter  Soft Condensed Matter;
 Physics  Biological Physics
 EPrint:
 24 pages (revtex4), 8 figures