On the Heat Capacity of Pure Elements and Phases

Detalhes bibliográficos
Autor(a) principal: Ferreira,Ivaldo Leão
Data de Publicação: 2021
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Materials research (São Carlos. Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392021000200220
Resumo: Recently, a model was proposed to predict cv as a function of temperature from the absolute zero to the melting temperature applied. This solution was based on critical grain nucleation to determine the volume, which contains the total number of modes for a particular equilibrium and non-equilibrium state to calculate the density of state (DoS), which is strongly dependent on the nucleus radius for both pure element and compound. Electronic and rotational energies were regarded for both elements and compounds in this formulation. The anomalies associated with cv can be easily considered in terms of their entropies, independent of their nature, as a local change in the DoS. Comparisons of cv for elements and compounds are performed against Thermodynamics software simulations and experimental data.
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spelling On the Heat Capacity of Pure Elements and PhasesMolar heat capacityDensity of StateElements and compoundsComputational ThermodynamicsAnomalies of heat capacityRecently, a model was proposed to predict cv as a function of temperature from the absolute zero to the melting temperature applied. This solution was based on critical grain nucleation to determine the volume, which contains the total number of modes for a particular equilibrium and non-equilibrium state to calculate the density of state (DoS), which is strongly dependent on the nucleus radius for both pure element and compound. Electronic and rotational energies were regarded for both elements and compounds in this formulation. The anomalies associated with cv can be easily considered in terms of their entropies, independent of their nature, as a local change in the DoS. Comparisons of cv for elements and compounds are performed against Thermodynamics software simulations and experimental data.ABM, ABC, ABPol2021-01-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392021000200220Materials Research v.24 n.2 2021reponame:Materials research (São Carlos. Online)instname:Universidade Federal de São Carlos (UFSCAR)instacron:ABM ABC ABPOL10.1590/1980-5373-mr-2020-0529info:eu-repo/semantics/openAccessFerreira,Ivaldo Leãoeng2021-03-10T00:00:00Zoai:scielo:S1516-14392021000200220Revistahttp://www.scielo.br/mrPUBhttps://old.scielo.br/oai/scielo-oai.phpdedz@power.ufscar.br1980-53731516-1439opendoar:2021-03-10T00:00Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)false
dc.title.none.fl_str_mv On the Heat Capacity of Pure Elements and Phases
title On the Heat Capacity of Pure Elements and Phases
spellingShingle On the Heat Capacity of Pure Elements and Phases
Ferreira,Ivaldo Leão
Molar heat capacity
Density of State
Elements and compounds
Computational Thermodynamics
Anomalies of heat capacity
title_short On the Heat Capacity of Pure Elements and Phases
title_full On the Heat Capacity of Pure Elements and Phases
title_fullStr On the Heat Capacity of Pure Elements and Phases
title_full_unstemmed On the Heat Capacity of Pure Elements and Phases
title_sort On the Heat Capacity of Pure Elements and Phases
author Ferreira,Ivaldo Leão
author_facet Ferreira,Ivaldo Leão
author_role author
dc.contributor.author.fl_str_mv Ferreira,Ivaldo Leão
dc.subject.por.fl_str_mv Molar heat capacity
Density of State
Elements and compounds
Computational Thermodynamics
Anomalies of heat capacity
topic Molar heat capacity
Density of State
Elements and compounds
Computational Thermodynamics
Anomalies of heat capacity
description Recently, a model was proposed to predict cv as a function of temperature from the absolute zero to the melting temperature applied. This solution was based on critical grain nucleation to determine the volume, which contains the total number of modes for a particular equilibrium and non-equilibrium state to calculate the density of state (DoS), which is strongly dependent on the nucleus radius for both pure element and compound. Electronic and rotational energies were regarded for both elements and compounds in this formulation. The anomalies associated with cv can be easily considered in terms of their entropies, independent of their nature, as a local change in the DoS. Comparisons of cv for elements and compounds are performed against Thermodynamics software simulations and experimental data.
publishDate 2021
dc.date.none.fl_str_mv 2021-01-01
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=S1516-14392021000200220
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392021000200220
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/1980-5373-mr-2020-0529
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 ABM, ABC, ABPol
publisher.none.fl_str_mv ABM, ABC, ABPol
dc.source.none.fl_str_mv Materials Research v.24 n.2 2021
reponame:Materials research (São Carlos. Online)
instname:Universidade Federal de São Carlos (UFSCAR)
instacron:ABM ABC ABPOL
instname_str Universidade Federal de São Carlos (UFSCAR)
instacron_str ABM ABC ABPOL
institution ABM ABC ABPOL
reponame_str Materials research (São Carlos. Online)
collection Materials research (São Carlos. Online)
repository.name.fl_str_mv Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)
repository.mail.fl_str_mv dedz@power.ufscar.br
_version_ 1754212678226673664

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