title: Site-renormalised molecular fluid theory: on the utility of a two-site model of water.
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.
authors.affiliation: Chemistry Department, University of Houston, Houston, TX 77004-5003, USA.
authors.forename: Kippi M
authors.initials: KM
authors.lastname: Dyer
authors.forename: John S
authors.initials: JS
authors.lastname: Perkyns
authors.forename: George
authors.initials: G
authors.lastname: Stell
authors.forename: B Montgomery
authors.initials: BM
authors.lastname: Pettitt