Phase equilibria from the exactly integrated Clapeyron equation
Autor(a) principal: | |
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Data de Publicação: | 2001 |
Outros Autores: | |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/3824 https://doi.org/10.1006/jcht.2001.0876 |
Resumo: | In this work, the exactly integrated form of the Clapeyron equation found by Mosselman et al. has been used in a systematic manner to derive a comprehensive set of equations describing the first-order transition curves of pure substances. The application of each of these equations requires the knowledge of only one (reference) point on the particular equilibrium line, of the corresponding enthalpy of transition, and some ancillary data (molar volumes and heat capacities of the phases at equilibrium). No fitting to (p, T) experimental data is needed. In this respect the equations developed here can be regarded as a source for calculating a priori the phase equilibrium curves. The results have been tested for a number of selected pure substances of variable molecular complexity, and the uncertainties attached to the calculations have been assessed. Empirical equations currently used for first-order transitions are compared with those obtained from the exact integration. As far as we are aware, no equation was previously proposed for solid + solid equilibrium lines. |
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Phase equilibria from the exactly integrated Clapeyron equationClapeyron; exact; integration; first-order; transitionsIn this work, the exactly integrated form of the Clapeyron equation found by Mosselman et al. has been used in a systematic manner to derive a comprehensive set of equations describing the first-order transition curves of pure substances. The application of each of these equations requires the knowledge of only one (reference) point on the particular equilibrium line, of the corresponding enthalpy of transition, and some ancillary data (molar volumes and heat capacities of the phases at equilibrium). No fitting to (p, T) experimental data is needed. In this respect the equations developed here can be regarded as a source for calculating a priori the phase equilibrium curves. The results have been tested for a number of selected pure substances of variable molecular complexity, and the uncertainties attached to the calculations have been assessed. Empirical equations currently used for first-order transitions are compared with those obtained from the exact integration. As far as we are aware, no equation was previously proposed for solid + solid equilibrium lines.http://www.sciencedirect.com/science/article/B6WHM-45BCCXR-R/1/35cc4f5c5181134280313d5dd0f7550d2001info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/3824http://hdl.handle.net/10316/3824https://doi.org/10.1006/jcht.2001.0876engThe Journal of Chemical Thermodynamics. 33:11 (2001) 1597-1617Lobo, Lélio Q.Ferreira, Abel G. M.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2020-11-06T16:48:38Zoai:estudogeral.uc.pt:10316/3824Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T20:59:16.265784Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Phase equilibria from the exactly integrated Clapeyron equation |
title |
Phase equilibria from the exactly integrated Clapeyron equation |
spellingShingle |
Phase equilibria from the exactly integrated Clapeyron equation Lobo, Lélio Q. Clapeyron; exact; integration; first-order; transitions |
title_short |
Phase equilibria from the exactly integrated Clapeyron equation |
title_full |
Phase equilibria from the exactly integrated Clapeyron equation |
title_fullStr |
Phase equilibria from the exactly integrated Clapeyron equation |
title_full_unstemmed |
Phase equilibria from the exactly integrated Clapeyron equation |
title_sort |
Phase equilibria from the exactly integrated Clapeyron equation |
author |
Lobo, Lélio Q. |
author_facet |
Lobo, Lélio Q. Ferreira, Abel G. M. |
author_role |
author |
author2 |
Ferreira, Abel G. M. |
author2_role |
author |
dc.contributor.author.fl_str_mv |
Lobo, Lélio Q. Ferreira, Abel G. M. |
dc.subject.por.fl_str_mv |
Clapeyron; exact; integration; first-order; transitions |
topic |
Clapeyron; exact; integration; first-order; transitions |
description |
In this work, the exactly integrated form of the Clapeyron equation found by Mosselman et al. has been used in a systematic manner to derive a comprehensive set of equations describing the first-order transition curves of pure substances. The application of each of these equations requires the knowledge of only one (reference) point on the particular equilibrium line, of the corresponding enthalpy of transition, and some ancillary data (molar volumes and heat capacities of the phases at equilibrium). No fitting to (p, T) experimental data is needed. In this respect the equations developed here can be regarded as a source for calculating a priori the phase equilibrium curves. The results have been tested for a number of selected pure substances of variable molecular complexity, and the uncertainties attached to the calculations have been assessed. Empirical equations currently used for first-order transitions are compared with those obtained from the exact integration. As far as we are aware, no equation was previously proposed for solid + solid equilibrium lines. |
publishDate |
2001 |
dc.date.none.fl_str_mv |
2001 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10316/3824 http://hdl.handle.net/10316/3824 https://doi.org/10.1006/jcht.2001.0876 |
url |
http://hdl.handle.net/10316/3824 https://doi.org/10.1006/jcht.2001.0876 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
The Journal of Chemical Thermodynamics. 33:11 (2001) 1597-1617 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
aplication/PDF |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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1799133883658141696 |