Exact analytical solution of the Flory-Huggins model and extensions to multicomponent systems

被引:0
|
作者
de Souza, J. Pedro [1 ]
Stone, Howard A. [2 ]
机构
[1] Princeton Univ, Omenn Darling Bioengn Inst, Princeton, NJ 08544 USA
[2] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2024年 / 161卷 / 04期
关键词
THERMOREVERSIBLE GELATION; FREE-ENERGY; POLYMER; THERMODYNAMICS; MIXTURES;
D O I
10.1063/5.0215923
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The Flory-Huggins theory describes the phase separation of solutions containing polymers. Although it finds widespread application from polymer physics to materials science to biology, the concentrations that coexist in separate phases at equilibrium have not been determined analytically, and numerical techniques are required that restrict the theory's ease of application. In this work, we derive an implicit analytical solution to the Flory-Huggins theory of one polymer in a solvent by applying a procedure that we call the implicit substitution method. While the solutions are implicit and in the form of composite variables, they can be mapped explicitly to a phase diagram in composition space. We apply the same formalism to multicomponent polymeric systems, where we find analytical solutions for polydisperse mixtures of polymers of one type. Finally, while complete analytical solutions are not possible for arbitrary mixtures, we propose computationally efficient strategies to map out coexistence curves for systems with many components of different polymer types.
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页数:15
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