Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F01%3A27013086" target="_blank" >RIV/67985858:_____/01:27013086 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System.

Original language description

Three realistic potential models of water, the non-polarizable ST2 and TIP4P models, and the polarizable TIP4P/P model, were used in computer simulations to study the effect of the range of intermolecular interactions on the thermodynamic properties of water. Following the results of recent studies, a short range system is constructed to the full pair potential u(1.2) in such a way that a perturbation expansion can be formulated in powers of the dipoleůdipole interaction only. Computations of low density properties and computer simulations performed for several densities on three subcritical and one supercritical isotherms show that the short range reference not only reproduces the structure but approximates also the internal energy and pressure of water surprisingly well. Differences in the internal energy between the full and short range water do not exceed 5% for all models used over the entire range of the thermodynamic conditions considered.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/IAA4072908" target="_blank" >IAA4072908: From simple models to a molecular theory of real associated fluids. theory and applications</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2001

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Molecular Physics

ISSN

0026-8976

e-ISSN

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Volume of the periodical

99

Issue of the periodical within the volume

4

Country of publishing house

GB - UNITED KINGDOM

Number of pages

10

Pages from-to

291-300

UT code for WoS article

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EID of the result in the Scopus database

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