Mean-Spherical Approximation for the Lennard-Jones-like Two Yukawa Model: Comparison against Monte Carlo Data

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F11%3A00368365" target="_blank" >RIV/67985858:_____/11:00368365 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/44555601:13440/11:43879411

Výsledek na webu

<a href="http://dx.doi.org/10.5488/CMP.14.33005" target="_blank" >http://dx.doi.org/10.5488/CMP.14.33005</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.5488/CMP.14.33005" target="_blank" >10.5488/CMP.14.33005</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Mean-Spherical Approximation for the Lennard-Jones-like Two Yukawa Model: Comparison against Monte Carlo Data

Popis výsledku v původním jazyce

Monte Carlo simulation studies are performed for the Lennard-Jones-like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of soft repulsion by hard-core repulsion. Different distances for the positioning ofhard-core have been explored. We have found that for temperatures slightly lower and slightly higher than the critical point temperature for the Lennard-Jones fluid, the placement of the hard-core at distances shorter than zero-potential energy is well justified by thermodynamic properties that are practically the same as in the original LJ2Y model without hard-core. However, going to extreme conditions with the high temperature one should be careful since the presence of the hard-core provokes changesin the properties of the system. The later is extremely important when the mean-spherical approximation (MSA) theory is applied to the treatment of the Lennard-Jones-like fluid.

Název v anglickém jazyce

Mean-Spherical Approximation for the Lennard-Jones-like Two Yukawa Model: Comparison against Monte Carlo Data

Popis výsledku anglicky

Monte Carlo simulation studies are performed for the Lennard-Jones-like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of soft repulsion by hard-core repulsion. Different distances for the positioning ofhard-core have been explored. We have found that for temperatures slightly lower and slightly higher than the critical point temperature for the Lennard-Jones fluid, the placement of the hard-core at distances shorter than zero-potential energy is well justified by thermodynamic properties that are practically the same as in the original LJ2Y model without hard-core. However, going to extreme conditions with the high temperature one should be careful since the presence of the hard-core provokes changesin the properties of the system. The later is extremely important when the mean-spherical approximation (MSA) theory is applied to the treatment of the Lennard-Jones-like fluid.

Druh

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

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/IAA400720710" target="_blank" >IAA400720710: Stanovení fázového a stavového chování tekutin a tekutých směsí pro procesy probíhající za superambientních podmínek: molekulární teorie a experiment</a><br>

Návaznosti

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

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

Condensed Matter Physics

ISSN

1607-324X

e-ISSN

—

Svazek periodika

14

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

UA - Ukrajina

Počet stran výsledku

8

Strana od-do

"Article Number 33005"

Kód UT WoS článku

000295900600006

EID výsledku v databázi Scopus

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