Year: 2008
Type: article
Abstract: Using the complex Langevin sampling strategy, field theoretic simulations are performed to study the equilibrium phase behavior and structure of symmetric polycation-polyanion mixtures without salt in good solvents. Static structure factors for the segment density and charge density are calculated and used to study the role of fluctuations in the electrostatic and chemical potential fields beyond the random phase approximation. We specifically focus on the role of charge density and molecular weight on the structure and complexation behavior of polycation-polyanion solutions. A demixing phase transition to form a "complex coacervate" is observed in strongly charged systems, and the corresponding spinodal and binodal boundaries of the phase diagram are investigated.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.2936834
Institution: University of California, Santa Barbara
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2066195845