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arxiv: cond-mat/0510747 · v2 · submitted 2005-10-27 · ❄️ cond-mat.soft

Simple Model of Membrane Proteins Including Solvent

classification ❄️ cond-mat.soft
keywords modelphasedimensionalinteractionsmembraneproteinssimplesolute-solvent
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We report a numerical simulation for the phase diagram of a simple two dimensional model, similar to one proposed by Noro and Frenkel [J. Chem. Phys. \textbf{114}, 2477 (2001)] for membrane proteins, but one that includes the role of the solvent. We first use Gibbs ensemble Monte Caro 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.

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