ArticlePolymers2024
Two Methods Based on Integral Equation Approaches in Analyzing Polyelectrolyte Solutions: Macrophase Separation.
Article in Polymers, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
To understand the phase behaviors of polyelectrolyte solutions, we provide two analytical methods to formulate a molecular equation of state for a system of fully charged polyanions (PAs) and polycations (PCs) in a monomeric neutral component, based on integral equation theories. The mixture is treated in a primitive and restricted manner. The first method utilizes Blum's approach to charged hard spheres, incorporating the chain connectivity contribution by charged spheres via Stell's cavity function method. The second method employs Wertheim's multi-density Ornstein-Zernike treatment of charged hard spheres with Baxter's adhesive potential. The pressures derived from these methods are compared to available molecular dynamics simulations data for a solution of PAs and monomeric counterions as a limiting case. Two-phase equilibrium for the system is calculated using both methods to evaluate the relative strength of phase segregation that leads to complex coacervation. Additionally, the scaling exponents for a selected solution near its critical point are examined.
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