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

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

2005-01-11

arxiv.org/abs/cond-mat/0501235v1

Physics

Condensed Matter

Soft Condensed Matter

9 pages, 5 figures, 1 table; submitted to Phys. Rev. E

Scientific paper

10.1103/PhysRevE.71.051502

In a previous work, we investigated a two-dimensional lattice-fluid model, displaying some waterlike thermodynamic anomalies. The model, defined on a triangular lattice, is now extended to aqueous solutions with apolar species. Water molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three equivalent bonding arms. Bond formation depends both on orientation and local density. The insertion of inert molecules displays typical signatures of hydrophobic hydration: large positive transfer free energy, large negative transfer entropy (at low temperature), strong temperature dependence of the transfer enthalpy and entropy, i.e., large (positive) transfer heat capacity. Model properties are derived by a generalized first order approximation on a triangle cluster.

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