Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory

Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory

Thermodynamic properties of the particles interacting through smooth version of Stell-Hemmer interaction were studied using Wertheim's thermodynamic perturbation theory. The temperature dependence of molar volume, heat capacity, isothermal compressibility and thermal expansion coefficient at co...

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Bibliographic Details
Main Author: T. Urbic
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2013-01-01
Series:Condensed Matter Physics
Subjects:
Monte Carlo
thermodynamic perturbation theory
core softened fluid
Online Access:http://dx.doi.org/10.5488/CMP.16.43605
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spelling doaj-9e563549084540d8b1c94e22e791cb802020-11-24T21:43:04ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2013-01-011644360510.5488/CMP.16.43605Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theoryT. UrbicThermodynamic properties of the particles interacting through smooth version of Stell-Hemmer interaction were studied using Wertheim's thermodynamic perturbation theory. The temperature dependence of molar volume, heat capacity, isothermal compressibility and thermal expansion coefficient at constant pressure for different number of bonding sites on particle were evaluated. The model showed water-like anomalies for all evaluated quantities, but thermodynamic perturbation theory does not properly predict dependence of these properties at fixed number of bonding points.http://dx.doi.org/10.5488/CMP.16.43605Monte Carlothermodynamic perturbation theorycore softened fluid
collection DOAJ
language English
format Article
sources DOAJ
author T. Urbic
spellingShingle T. Urbic
Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory
Condensed Matter Physics
Monte Carlo
thermodynamic perturbation theory
core softened fluid
author_facet T. Urbic
author_sort T. Urbic
title Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory
title_short Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory
title_full Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory
title_fullStr Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory
title_full_unstemmed Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory
title_sort two-dimensional core-softened model with water like properties. study by thermodynamic perturbation theory
publisher Institute for Condensed Matter Physics
series Condensed Matter Physics
issn 1607-324X
publishDate 2013-01-01
description Thermodynamic properties of the particles interacting through smooth version of Stell-Hemmer interaction were studied using Wertheim's thermodynamic perturbation theory. The temperature dependence of molar volume, heat capacity, isothermal compressibility and thermal expansion coefficient at constant pressure for different number of bonding sites on particle were evaluated. The model showed water-like anomalies for all evaluated quantities, but thermodynamic perturbation theory does not properly predict dependence of these properties at fixed number of bonding points.
topic Monte Carlo
thermodynamic perturbation theory
core softened fluid
url http://dx.doi.org/10.5488/CMP.16.43605
work_keys_str_mv AT turbic twodimensionalcoresoftenedmodelwithwaterlikepropertiesstudybythermodynamicperturbationtheory
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