| Literature DB >> 19920881 |
Kippi M Dyer1, John S Perkyns, George Stell, B Montgomery Pettitt.
Abstract
We propose a simple, two-site model of water, using the familiar three-site Simple Point Charge (SPC) model as a guide. We briefly examine the resulting dielectric and solvation properties of the bulk fluid, both pure and in a three component mixture of apolar or ionic simple fluid solutes, using integral equation methods. The results confirm a practical utility of this simplified model, and the essential predictive properties of the site-renormalised molecular fluid theory.Entities:
Year: 2009 PMID: 19920881 PMCID: PMC2777734 DOI: 10.1080/00268970902845313
Source DB: PubMed Journal: Mol Phys ISSN: 0026-8976 Impact factor: 1.962