Polymer crystallization mean-field lattice theory

Fig. 17 B/E-p dependence of the critical temperatures of liquid-liquid demixing (dashed line) and the equilibrium melting temperatures of polymer crystals (solid line) for 512-mers at the critical concentrations, predicted by the mean-field lattice theory of polymer solutions. The triangles denote Tcol and the circles denote T cry both are obtained from the onset of phase transitions in the simulations of the dynamic cooling processes of a single 512-mer. The segments are drawn as a guide for the eye (Hu and Frenkel, unpublished results)...

Polymer phase separation and crystallization, as introduced separately in the previous two chapters, have different molecular driving forces that can be simultaneously expressed by the use of the lattice model. Adjusting the corresponding driving forces, the mean-field theory can predict the phase diagrams, and at the meanwhile molecular simulations can demonstrate the complex phase transition behaviors of polymers in the multi-component miscible systems. 

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