Analytic potential for water: a Monte Carlo study

Léo Degrève and L. Blum

Physica A: Statistical Mechanics and its Applications, 1996, vol. 224, issue 3, 550-557

Abstract: We have recently studied by Monte Carlo computer simulation a potential function for liquid water that is tractable analytically. This potential is a modification of the BBL potential with an additional octopolar interaction term. This potential consisted of a hard core plus electrostatic and short range orientational terms. In the present study we introduce a modification in which the repulsive spherical core is softened by means of an exponential term. The atom-atom pair correlation functions for oxygen-oxygen, oxygen-hydrogen and hydrogen-hydrogen obtained for this new potential are in excellent agreement with the neutron scattering experiments.

Date: 1996
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/0378437195004181
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:224:y:1996:i:3:p:550-557

DOI: 10.1016/0378-4371(95)00418-1

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().