Simple model of membrane proteins including solvent.
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.
Pagan
D L
DL
Department of Physics, Lehigh University, Bethlehem, Pennsylvania 18015, USA. dlpa2@lehigh.edu
Shiryayev
A
A
Connor
T P
TP
Gunton
J D
JD
D003198:Computer Simulation; D008565:Membrane Proteins / Q000737:chemistry*; D008956:Models, Chemical; D009010:Monte Carlo Method; D044367:Phase Transition; D012996:Solutions / Q000737:chemistry; D012997:Solvents / Q000737:chemistry*
D008565:Membrane Proteins; D012996:Solutions; D012997:Solvents