Journal
MOLECULAR PHYSICS
Volume 107, Issue 4-6, Pages 423-431Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970902845313
Keywords
integral equations; water; ionic solutions
Funding
- Robert A. Welch Foundation [E1028]
- N. I. H. [GM037657]
- Division of Chemical Sciences, Office of Basic Energy Sciences, Office of Energy Research, US Department of Energy
- NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [R01GM037657] Funding Source: NIH RePORTER
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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.
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