Lattice model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing

Details Lattice model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing Lattice model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing

2002-06-26

arxiv.org/abs/cond-mat/0206512v4

J. Chem. Phys. 2003 in print

Physics

Condensed Matter

Soft Condensed Matter

Revtex, 7 pages, the content accepted by J. Chem. Phys

Scientific paper

10.1063/1.1572462

We report Monte Carlo simulations of a lattice-polymer model that can account for both polymer crystallization and liquid-liquid demixing in solutions of semiflexible homopolymers. In our model, neighboring polymer segments can have isotropic interactions that affect demixing, and anisotropic interactions that are responsible for freezing. However, our simulations show that the isotropic interactions also have a noticeable effect on the freezing curve, as do the anisotropic interactions on demixing. As the relative strength of the isotropic interactions is reduced, the liquid-liquid demixing transition disappears below the freezing curve. A simple, extended Flory-Huggins theory accounts quite well for the phase behavior observed in the simulations.

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