Thermodynamic properties of solid FCC C84 based on an analytic mean field approach

Detalhes bibliográficos
Autor(a) principal: Wei,Yang
Data de Publicação: 2008
Outros Autores: Jiu-xun,Sun, Fei,Yu
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000500006
Resumo: The analytic mean field potential (AMFP) approach is applied to the poly-exponential model solid. The analytic expressions for the Helmholtz free energy, internal energy and equation of state (EOS) are derived. The formalism for the case of the double-exponential (DE) model is applied to fcc C84. One set of potential parameters are determined by fitting the experimental compression data of C84 up to 9.24 GPa at ambient temperature (297 K). The equilibrium distance and well depth for C60, C70 and C84 molecules are plotted. The thermophysical properties including the isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. The theoretical results agree well with the experimental data available of C84. Basing the results of our calculations, we may also predict the behaviors of C84 at extreme conditions.
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spelling Thermodynamic properties of solid FCC C84 based on an analytic mean field approachFullerenesAnalytic Mean field PotentialEquation of StateThermodynamic PropertiesThe analytic mean field potential (AMFP) approach is applied to the poly-exponential model solid. The analytic expressions for the Helmholtz free energy, internal energy and equation of state (EOS) are derived. The formalism for the case of the double-exponential (DE) model is applied to fcc C84. One set of potential parameters are determined by fitting the experimental compression data of C84 up to 9.24 GPa at ambient temperature (297 K). The equilibrium distance and well depth for C60, C70 and C84 molecules are plotted. The thermophysical properties including the isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. The theoretical results agree well with the experimental data available of C84. Basing the results of our calculations, we may also predict the behaviors of C84 at extreme conditions.Sociedade Brasileira de Física2008-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000500006Brazilian Journal of Physics v.38 n.4 2008reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332008000500006info:eu-repo/semantics/openAccessWei,YangJiu-xun,SunFei,Yueng2009-01-19T00:00:00Zoai:scielo:S0103-97332008000500006Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2009-01-19T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
title Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
spellingShingle Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
Wei,Yang
Fullerenes
Analytic Mean field Potential
Equation of State
Thermodynamic Properties
title_short Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
title_full Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
title_fullStr Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
title_full_unstemmed Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
title_sort Thermodynamic properties of solid FCC C84 based on an analytic mean field approach
author Wei,Yang
author_facet Wei,Yang
Jiu-xun,Sun
Fei,Yu
author_role author
author2 Jiu-xun,Sun
Fei,Yu
author2_role author
author
dc.contributor.author.fl_str_mv Wei,Yang
Jiu-xun,Sun
Fei,Yu
dc.subject.por.fl_str_mv Fullerenes
Analytic Mean field Potential
Equation of State
Thermodynamic Properties
topic Fullerenes
Analytic Mean field Potential
Equation of State
Thermodynamic Properties
description The analytic mean field potential (AMFP) approach is applied to the poly-exponential model solid. The analytic expressions for the Helmholtz free energy, internal energy and equation of state (EOS) are derived. The formalism for the case of the double-exponential (DE) model is applied to fcc C84. One set of potential parameters are determined by fitting the experimental compression data of C84 up to 9.24 GPa at ambient temperature (297 K). The equilibrium distance and well depth for C60, C70 and C84 molecules are plotted. The thermophysical properties including the isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. The theoretical results agree well with the experimental data available of C84. Basing the results of our calculations, we may also predict the behaviors of C84 at extreme conditions.
publishDate 2008
dc.date.none.fl_str_mv 2008-12-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000500006
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332008000500006
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97332008000500006
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.38 n.4 2008
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
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