| Literature DB >> 16709136 |
D L Pagan1, A Shiryayev, T P Connor, J D Gunton.
Abstract
We report a numerical simulation for the phase diagram of a simple two-dimensional model, similar to the one proposed by Noro and Frenkel [J. Chem. Phys. 114, 2477 (2001)] for membrane proteins, but one that includes the role of the solvent. We first use Gibbs ensemble Monte Carlo simulations to determine the phase behavior of particles interacting via a square-well potential in two dimensions for various values of the interaction range. A phenomenological model for the solute-solvent interactions is then studied to understand how the fluid-fluid coexistence curve is modified by solute-solvent interactions. It is shown that such a model can yield systems with liquid-liquid phase separation curves that have both upper and lower critical points, as well as closed loop phase diagrams, as is the case with the corresponding three-dimensional model.Mesh:
Substances:
Year: 2006 PMID: 16709136 DOI: 10.1063/1.2193511
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488