Comparison of different water models from ambient to supercritical conditions: A Monte Carlo simulation and molecular Ornstein-Zernike study

Pál Jedlovszky, Johannes Richardi

Research output: Contribution to journalArticle

87 Citations (Scopus)

Abstract

The structural, thermodynamic, and dielectric properties of three polarizable and two nonpolarizable water models have been compared with experimental data in a wide range of thermodynamic states from ambient to supercritical conditions. The structures obtained with the different polarizable models are found to be rather similar to each other at the level of the pair correlation functions, the Brodholt-Sampoli-Vallauri (BSV) and Dang-Chang (DC) results being almost indistinguishable from each other.

Original languageEnglish
Pages (from-to)8019-8031
Number of pages13
JournalJournal of Chemical Physics
Volume110
Issue number16
DOIs
Publication statusPublished - Jan 1 1999

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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