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

Result code in 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>
Alternative codes found
RIV/44555601:13440/11:43879411
Result on the web
<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>

Result language
angličtina
Original language name
Mean-Spherical Approximation for the Lennard-Jones-like Two Yukawa Model: Comparison against Monte Carlo Data
Original language description
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.
Czech name
—
Czech description
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Type
J<sub>x</sub> - 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
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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