Thermodynamic and structural properties of liquid water around the temperature of maximum density in a wide range of pressures: A computer simulation study with a polarizable potential model

P. Jedlovszky, Renzo Vallauri

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

The temperature and pressure dependence of the thermodynamic and structural properties of Brodholt-Sampoli-Vallauri (BSV) water was analyzed and compared with experimental data. Results of the study completed previous findings at 1 bar by showing that the temperature dependence of the properties of BSV water, observed at 1 bar, does not change considerably in the entire pressure range up to 200 bar, and allowing the analysis of the pressure dependence of these properties, as well. It was found that the BSV model describes well most of the important thermodynamic properties of liquid water in the entire range of thermodynamic states considered.

Original languageEnglish
Pages (from-to)3750-3762
Number of pages13
JournalThe Journal of Chemical Physics
Volume115
Issue number8
DOIs
Publication statusPublished - Aug 22 2001

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Structural properties
Thermodynamic properties
thermodynamic properties
computerized simulation
pressure dependence
Water
Computer simulation
Liquids
liquids
water
temperature dependence
Temperature
temperature
Thermodynamics
thermodynamics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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AB - The temperature and pressure dependence of the thermodynamic and structural properties of Brodholt-Sampoli-Vallauri (BSV) water was analyzed and compared with experimental data. Results of the study completed previous findings at 1 bar by showing that the temperature dependence of the properties of BSV water, observed at 1 bar, does not change considerably in the entire pressure range up to 200 bar, and allowing the analysis of the pressure dependence of these properties, as well. It was found that the BSV model describes well most of the important thermodynamic properties of liquid water in the entire range of thermodynamic states considered.

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