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Binary Interaction Parameters,Ternary Systems: Realistic Modeling of Liquid/Liquid Phase Separation
Authors:Bernhard A Wolf
Abstract:The phase behavior of ternary systems (either a polymer solution in a mixed solvent or a polymer blend in a single solvent) was modeled theoretically. The modeling considers two specific features of polymers explicitly: chain connectivity and the ability to respond to changes in the molecular environment by conformational reorientation. Previously, this approach has been applied to polymer solutions in single solvents. Here it is generalized and the number of parameters is reduced to two per binary system. The calculation of the Gibbs energies of the ternary mixtures accounts for the composition dependencies of the binary interaction parameters. The following phenomena are reproduced realistically for polymer solutions in a mixed solvent and for solutions of two polymers in a common solvent: simplicity, co‐solvency, and co‐non‐solvency. The results nourish the hope that the new approach is capable of modeling phase diagrams for ternary systems by means of binary interaction parameters only.
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Keywords:co‐non‐solvency  co‐solvency  liquid/liquid demixing  phase diagrams of ternary systems  thermodynamics
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