Professor Friedman is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research on developing statistical mechanical theories for ionic solutions. Friedman uses formal theory based on an integral equation treatment of a rigid, nonpolarizable interaction site model (ISM) Hamiltonian. Using this theoretical model, he seeks to explain: 1) non-equilibrium solvation dynamics, 2) dielectric and charge transfer phenomena, and 3) thermodynamic, structure and transport phenomena in electrolyte solutions. Results are to be compared with computer simulations and experiments. The aim of this research project is to improve the way the measurable properties of solutions are interpreted in terms of the interactions among the molecular constituents. This is particularly a challenge for ionic solutions; the long range of the forces between the ionic charges strongly affect both the measurable properties and the mathematical tools needed to relate them to the molecular models.
