EXP6 Fluids at Extreme Conditions Modeled by Two-Yukawa Potentials

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F10%3A00354873" target="_blank" >RIV/67985858:_____/10:00354873 - isvavai.cz</a>

Alternative codes found

RIV/44555601:13440/10:00005520

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

EXP6 Fluids at Extreme Conditions Modeled by Two-Yukawa Potentials

Original language description

A two-Yukawa representation of the EXP6 fluids at supercritical temperatures and high pressures has been developed and examined using molecular simulations. A uniquely defined mapping of the repulsive part of the EXP6 potential curve onto the two-Yukawapotential is used. Two ranges of temperatures, one encountered in geochemical applications Tgeo range and the other at conditions of detonations Tdet range, are considered and it is shown that the local structures of both fluids are practically identical. Deviations between the EXP6 and two-Yukawa potential functions at intermediate separations lead to differences in the thermodynamic properties of the two fluids at lower temperatures of the Tgeo range; at higher temperatures and in the high Tdet temperature range both the structural and thermodynamic properties of the EXP6 and two-Yukawa fluids are practically identical.

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/IAA400720710" target="_blank" >IAA400720710: Determination of the phase and state behaviour of fluids and fluid mixtures for processes at superambient conditions: molecular-based theory and experiment</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2010

Confidentiality

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

Name of the periodical

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Volume of the periodical

133

Issue of the periodical within the volume

9

Country of publishing house

US - UNITED STATES

Number of pages

8

Pages from-to

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UT code for WoS article

000281742900015

EID of the result in the Scopus database

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