Efect of the range of interactions on the propeties of fluids. Part II. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acis.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F05%3A00005500" target="_blank" >RIV/44555601:13440/05:00005500 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/67985858:_____/05:00359688

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Efect of the range of interactions on the propeties of fluids. Part II. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acis.

Popis výsledku v původním jazyce

To complete the study on the effect of the long-range part of Coulombic interactions on properties of complex polar and associating fluids, we have investigated in detail three compounds with extreme features: acetonitrile for its unusually large dipolemoment, hydrogen fluoride with very strong hydrogen bonding, and formic acid for its potential formation of different n-mers in liquid and gaseous phases. The effect of the long-range Coulombic interactions on both the structure and thermodynamics of thehomogeneous phase, and on the vapor-liquid equilibria has been examined using the same decomposition of realistic potential models into a short-range part and a residual pan as in the previous paper [Kettler, M.; et al. J. Phys. Chem. B 2002, 106, 7537-7546]. The present results fully confirm the previous findings that the properties of polar and associating systems are determined primarily by the short-range interactions regardless of their nature, i.e., contributions arising from the

Název v anglickém jazyce

Efect of the range of interactions on the propeties of fluids. Part II. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acis.

Popis výsledku anglicky

To complete the study on the effect of the long-range part of Coulombic interactions on properties of complex polar and associating fluids, we have investigated in detail three compounds with extreme features: acetonitrile for its unusually large dipolemoment, hydrogen fluoride with very strong hydrogen bonding, and formic acid for its potential formation of different n-mers in liquid and gaseous phases. The effect of the long-range Coulombic interactions on both the structure and thermodynamics of thehomogeneous phase, and on the vapor-liquid equilibria has been examined using the same decomposition of realistic potential models into a short-range part and a residual pan as in the previous paper [Kettler, M.; et al. J. Phys. Chem. B 2002, 106, 7537-7546]. The present results fully confirm the previous findings that the properties of polar and associating systems are determined primarily by the short-range interactions regardless of their nature, i.e., contributions arising from the

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BE - Teoretická fyzika

OECD FORD obor

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Projekt

<a href="/cs/project/IAA4072303" target="_blank" >IAA4072303: Obecné stavové rovnice tekutin z molekulárních principů a jejich aplikace na výpočet termofyzikálních vlastností směsí</a><br>

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2005

Kód důvěrnosti údajů

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

Název periodika

Journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical

ISSN

1520-6106

e-ISSN

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Svazek periodika

109

Číslo periodika v rámci svazku

19

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

15

Strana od-do

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Kód UT WoS článku

000229134000078

EID výsledku v databázi Scopus

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