학술논문

Field theory description of ion association in re-entrant phase separation of polyampholytes
Document Type
Working Paper
Source
J. Chem. Phys. 156, 194903 (2022)
Subject
Condensed Matter - Soft Condensed Matter
Condensed Matter - Statistical Mechanics
Physics - Biological Physics
Physics - Chemical Physics
Quantitative Biology - Biomolecules
Language
Abstract
Phase separation of several different overall neutral polyampholyte species (with zero net charge) is studied in solution with two oppositely charged ion species that can form ion-pairs through an association reaction. A field theory description of the system, that treats polyampholyte charge sequence dependent electrostatic interactions as well as excluded volume effects, is hereby given. Interestingly, analysis of the model using random phase approximation and field theoretic simulation consistently show evidence of a re-entrant polyampholyte phase separation at high ion concentrations when there is an overall decrease of volume upon ion-association. As an illustration of the ramifications of our theoretical framework, several polyampholyte concentration vs ion concentration phase diagrams under constant temperature conditions are presented to elucidate the dependence of phase separation behavior on polyampholyte sequence charge pattern as well as ion-pair dissociation constant, volumetric effects on ion association, solvent quality, and temperature.
Comment: 15 pages (two-column), 6 figures, 82 references. Minor revisions include added references and Appendix C. Accepted for publication in Journal of Chemical Physics