Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile

Systems of the type linear primary or secondary amine + cyclohexane, or + polar (namely, linear or cyclic monoether, + 1,4-dioxane, + N,N-dialkylamide, or + ethanitrile) have been investigated using literature data, and by means of DISQUAC. Interaction parameters for the contacts amine/ether, amine/...

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Autores: González López, Juan Antonio Mariano, Hevia de los Mozos, Luis Fernando, García de la Fuente, Isaías Laudelino, Cobos Hernández, José Carlos, Ballerat-Busserolles, Karine, Coulier, Yohann, Coxam, Jean-Yves
Formato: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2020
País:España
Recursos:Universidad de Valladolid
Repositorio:UVaDOC. Repositorio Documental de la Universidad de Valladolid
OAI Identifier:oai:uvadoc.uva.es:10324/69159
Acesso em linha:https://doi.org/10.1016/j.molliq.2020.112907
https://uvadoc.uva.es/handle/10324/69159
Access Level:acceso abierto
Palavra-chave:Termodinámica
2213 Termodinámica
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spelling Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrileGonzález López, Juan Antonio MarianoHevia de los Mozos, Luis FernandoGarcía de la Fuente, Isaías LaudelinoCobos Hernández, José CarlosBallerat-Busserolles, KarineCoulier, YohannCoxam, Jean-YvesTermodinámica2213 TermodinámicaSystems of the type linear primary or secondary amine + cyclohexane, or + polar (namely, linear or cyclic monoether, + 1,4-dioxane, + N,N-dialkylamide, or + ethanitrile) have been investigated using literature data, and by means of DISQUAC. Interaction parameters for the contacts amine/ether, amine/amide and amine/nitrile are provided. For a given contact, the QUAC interchange coefficients remain practically constant along each homologous series. A similar trend has been encountered in other many previous studies. DISQUAC correctly describes excess molar enthalpies, HmE, and vapour-liquid and solid-liquid equilibria of the studied mixtures and improves calculations on HmE from the UNIFAC (Dortmund) model. The experimental data have been used to determine the enthalpy of the interactions between unlike molecules, which are stronger in systems with N,N-dialkylamides or ethanenitrile than in mixtures with ethers. On the other hand, it is shown that HmE values of amine + C6H12 mixtures are closely related to the amine self-association, and that interactions between molecules of the polar compounds are determinant on HmE results of the mixtures amine + fixed polar compound or of the systems fixed amine + polar compound (no linear monoether). Structural effects are relevant in the di-n-butylamine + linear ether systems. The application of the Flory model reveals that orientational effects are rather weak in the investigated solutions. This is in agreement with previous studies on this type of mixtures using the ERAS model.Project VA100G19 (Apoyo a GIR), Castilla y Leon Regional GrantElsevier2020info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://doi.org/10.1016/j.molliq.2020.112907https://uvadoc.uva.es/handle/10324/69159reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolidinstname:Universidad de ValladolidEspañolhttps://doi.org/10.1016/j.molliq.2020.112907info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/oai:uvadoc.uva.es:10324/691592026-06-13T12:44:47Z
dc.title.none.fl_str_mv Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
title Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
spellingShingle Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
González López, Juan Antonio Mariano
Termodinámica
2213 Termodinámica
title_short Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
title_full Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
title_fullStr Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
title_full_unstemmed Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
title_sort Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
dc.creator.none.fl_str_mv González López, Juan Antonio Mariano
Hevia de los Mozos, Luis Fernando
García de la Fuente, Isaías Laudelino
Cobos Hernández, José Carlos
Ballerat-Busserolles, Karine
Coulier, Yohann
Coxam, Jean-Yves
author González López, Juan Antonio Mariano
author_facet González López, Juan Antonio Mariano
Hevia de los Mozos, Luis Fernando
García de la Fuente, Isaías Laudelino
Cobos Hernández, José Carlos
Ballerat-Busserolles, Karine
Coulier, Yohann
Coxam, Jean-Yves
author_role author
author2 Hevia de los Mozos, Luis Fernando
García de la Fuente, Isaías Laudelino
Cobos Hernández, José Carlos
Ballerat-Busserolles, Karine
Coulier, Yohann
Coxam, Jean-Yves
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Termodinámica
2213 Termodinámica
topic Termodinámica
2213 Termodinámica
description Systems of the type linear primary or secondary amine + cyclohexane, or + polar (namely, linear or cyclic monoether, + 1,4-dioxane, + N,N-dialkylamide, or + ethanitrile) have been investigated using literature data, and by means of DISQUAC. Interaction parameters for the contacts amine/ether, amine/amide and amine/nitrile are provided. For a given contact, the QUAC interchange coefficients remain practically constant along each homologous series. A similar trend has been encountered in other many previous studies. DISQUAC correctly describes excess molar enthalpies, HmE, and vapour-liquid and solid-liquid equilibria of the studied mixtures and improves calculations on HmE from the UNIFAC (Dortmund) model. The experimental data have been used to determine the enthalpy of the interactions between unlike molecules, which are stronger in systems with N,N-dialkylamides or ethanenitrile than in mixtures with ethers. On the other hand, it is shown that HmE values of amine + C6H12 mixtures are closely related to the amine self-association, and that interactions between molecules of the polar compounds are determinant on HmE results of the mixtures amine + fixed polar compound or of the systems fixed amine + polar compound (no linear monoether). Structural effects are relevant in the di-n-butylamine + linear ether systems. The application of the Flory model reveals that orientational effects are rather weak in the investigated solutions. This is in agreement with previous studies on this type of mixtures using the ERAS model.
publishDate 2020
dc.date.none.fl_str_mv 2020
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.1016/j.molliq.2020.112907
https://uvadoc.uva.es/handle/10324/69159
url https://doi.org/10.1016/j.molliq.2020.112907
https://uvadoc.uva.es/handle/10324/69159
dc.language.none.fl_str_mv Español
language_invalid_str_mv Español
dc.relation.none.fl_str_mv https://doi.org/10.1016/j.molliq.2020.112907
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname:Universidad de Valladolid
instname_str Universidad de Valladolid
reponame_str UVaDOC. Repositorio Documental de la Universidad de Valladolid
collection UVaDOC. Repositorio Documental de la Universidad de Valladolid
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