Correlation Function Theory for Electrolyte Solutions
Due to the Corona situation the seminar will be held virtually.
If you wish to follow the seminar you will have to sign up by sending an
e-mail to Christian Ove Carlsson cc@kt.dtu.dk
hereafter you will receive an invitation to join the virtual seminar.
John P. O’Connell
Professor Emeritus, University of Virginia
Charlottesville, VA USA
Research Scholar in Residence, California Polytechnic State University, San Luis Obispo, CA USA
Abstract:
Many theories have been proposed for modeling the thermodynamic properties of electrolyte solutions.
However, there are still uncertainties in both fundamentals and applications. An approach that showed some promise, but has not been extensively explored, uses fluctuation solution theory (FST) which is based on statistical mechanical correlation functions.
The method yields both solution densities and derivatives of activity coefficients which are analytically integrable. For electrolytes, the formulation rigorously combines contributions from ions and separates their long-range and short-range interactions.
The seminar will describe the basics of FST, show its relations for strong electrolytes, give some results for a variety of aqueous salt solutions, and suggest potential improvements.