Liquid state theory of polyelectrolyte solutions.
The molecular modeling of polyelectrolyte solutions is considered one of the grand challenges of condensed phase physical chemistry. There have been many advances in our understanding of these systems, and the insight obtained from liquid state approaches is reviewed in this article. Integral equation theories have been successful in describing the structural properties of polyelectrolytes in good solvents. The theory provides an accurate description (when compared to computer simulations and experiment) of the static structure, conformational properties, surface forces, and osmotic pressure of polyelectrolyte solutions. Challenges remain for the description of strongly coupled systems and poor solvents, and some possible future directions are discussed.
Yethiraj
Arun
A
Theoretical Chemistry Institute, Department of Chemistry, University of Wisconsin, 1101 University Avenue, Madison, Wisconsin 53706-1396, USA.
D000465:Algorithms; D002627:Chemistry, Physical; D003198:Computer Simulation; D004573:Electrolytes / Q000737:chemistry*; D008956:Models, Chemical; D011108:Polymers / Q000737:chemistry*; D012996:Solutions
D004573:Electrolytes; D011108:Polymers; D012996:Solutions