Thermodynamics of mixtures containing aromatic nitriles

The coexistence curves of liquid-liquid equilibrium (LLE) for the mixtures: phenylacetonitrile + heptane, + octane, + nonane, + cyclooctane, or + 2,2,4-trimethylpentane and for 3-phenylpropionitrile + heptane, or + octane are reported. Aromatic nitrile + alkane, + aromatic hydrocarbon or + 1 alkanol...

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Autores: González López, Juan Antonio Mariano, Alonso Tristán, Cristina, Hevia de los Mozos, Luis Fernando, García de la Fuente, Isaías Laudelino, Sanz del Soto, Luis Felipe
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2018
País:España
Institución:Universidad de Valladolid
Repositorio:UVaDOC. Repositorio Documental de la Universidad de Valladolid
OAI Identifier:oai:uvadoc.uva.es:10324/69148
Acceso en línea:https://doi.org/10.1016/j.jct.2017.09.027
https://uvadoc.uva.es/handle/10324/69148
Access Level:acceso abierto
Palabra clave:Termodinámica
2213 Termodinámica
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spelling Thermodynamics of mixtures containing aromatic nitrilesGonzález López, Juan Antonio MarianoAlonso Tristán, CristinaHevia de los Mozos, Luis FernandoGarcía de la Fuente, Isaías LaudelinoSanz del Soto, Luis FelipeTermodinámica2213 TermodinámicaThe coexistence curves of liquid-liquid equilibrium (LLE) for the mixtures: phenylacetonitrile + heptane, + octane, + nonane, + cyclooctane, or + 2,2,4-trimethylpentane and for 3-phenylpropionitrile + heptane, or + octane are reported. Aromatic nitrile + alkane, + aromatic hydrocarbon or + 1 alkanol systems are investigated using a set of thermophysical properties: phase equilibria (solid-liquid, SLE, vapour-liquid, VLE and LLE), excess molar functions, enthalpies (HE m), isochoric internal energies (UE Vm), isobaric heat capacities (CEpm) and volumes (VEm), and the Kirkwood’s correlation factor. Due to proximity effects between thephenyl and the CN groups, dipolar interactions between molecules of aromatic nitriles are stronger thanthose between molecules of isomeric linear nitriles. Dipolar interactions become weaker in the order: 3-phenylpropionitrile > phenylacetonitrile > benzonitrile. Benzonitrile + aromatic hydrocarbon mixtures are characterized by dispersive interactions and structural effects. The latter are more important in systems with phenylacetonitrile. Structural effects are also present in benzonitrile + n-alkane, or + 1-alkanol + mixtures. The systems mentioned above have been studied using DISQUAC. Interaction parameters for contacts where the CN group in aromatic nitriles participates are given. DISQUAC describes correctly any type of phase equilibria, CEpm of benzonitrile + hydrocarbon mixtures and HEm of benzonitrile + cyclohexane, or 1-alkanol systems. Large differences encountered between theoretical HEm values and experimental data for some solutions are discussed. 1-Alkanol + benzonitrile mixtures are also investigated by means of the ERAS model. ERAS represents well HEm of these systems. The Vem curves of solutions with longer 1-alkanols are more poorly described, which has been explained in terms of the existence of structural effects.Junta de Castilla y León Regional Grant BU034U16Ministerio de Educación, Cultura y Deporte (MECD): Grant FPU14/04104Elsevier2018info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://doi.org/10.1016/j.jct.2017.09.027https://uvadoc.uva.es/handle/10324/69148reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolidinstname:Universidad de ValladolidEspañolhttps://doi.org/10.1016/j.jct.2017.09.027info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/oai:uvadoc.uva.es:10324/691482026-06-13T12:44:47Z
dc.title.none.fl_str_mv Thermodynamics of mixtures containing aromatic nitriles
title Thermodynamics of mixtures containing aromatic nitriles
spellingShingle Thermodynamics of mixtures containing aromatic nitriles
González López, Juan Antonio Mariano
Termodinámica
2213 Termodinámica
title_short Thermodynamics of mixtures containing aromatic nitriles
title_full Thermodynamics of mixtures containing aromatic nitriles
title_fullStr Thermodynamics of mixtures containing aromatic nitriles
title_full_unstemmed Thermodynamics of mixtures containing aromatic nitriles
title_sort Thermodynamics of mixtures containing aromatic nitriles
dc.creator.none.fl_str_mv González López, Juan Antonio Mariano
Alonso Tristán, Cristina
Hevia de los Mozos, Luis Fernando
García de la Fuente, Isaías Laudelino
Sanz del Soto, Luis Felipe
author González López, Juan Antonio Mariano
author_facet González López, Juan Antonio Mariano
Alonso Tristán, Cristina
Hevia de los Mozos, Luis Fernando
García de la Fuente, Isaías Laudelino
Sanz del Soto, Luis Felipe
author_role author
author2 Alonso Tristán, Cristina
Hevia de los Mozos, Luis Fernando
García de la Fuente, Isaías Laudelino
Sanz del Soto, Luis Felipe
author2_role author
author
author
author
dc.subject.none.fl_str_mv Termodinámica
2213 Termodinámica
topic Termodinámica
2213 Termodinámica
description The coexistence curves of liquid-liquid equilibrium (LLE) for the mixtures: phenylacetonitrile + heptane, + octane, + nonane, + cyclooctane, or + 2,2,4-trimethylpentane and for 3-phenylpropionitrile + heptane, or + octane are reported. Aromatic nitrile + alkane, + aromatic hydrocarbon or + 1 alkanol systems are investigated using a set of thermophysical properties: phase equilibria (solid-liquid, SLE, vapour-liquid, VLE and LLE), excess molar functions, enthalpies (HE m), isochoric internal energies (UE Vm), isobaric heat capacities (CEpm) and volumes (VEm), and the Kirkwood’s correlation factor. Due to proximity effects between thephenyl and the CN groups, dipolar interactions between molecules of aromatic nitriles are stronger thanthose between molecules of isomeric linear nitriles. Dipolar interactions become weaker in the order: 3-phenylpropionitrile > phenylacetonitrile > benzonitrile. Benzonitrile + aromatic hydrocarbon mixtures are characterized by dispersive interactions and structural effects. The latter are more important in systems with phenylacetonitrile. Structural effects are also present in benzonitrile + n-alkane, or + 1-alkanol + mixtures. The systems mentioned above have been studied using DISQUAC. Interaction parameters for contacts where the CN group in aromatic nitriles participates are given. DISQUAC describes correctly any type of phase equilibria, CEpm of benzonitrile + hydrocarbon mixtures and HEm of benzonitrile + cyclohexane, or 1-alkanol systems. Large differences encountered between theoretical HEm values and experimental data for some solutions are discussed. 1-Alkanol + benzonitrile mixtures are also investigated by means of the ERAS model. ERAS represents well HEm of these systems. The Vem curves of solutions with longer 1-alkanols are more poorly described, which has been explained in terms of the existence of structural effects.
publishDate 2018
dc.date.none.fl_str_mv 2018
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.jct.2017.09.027
https://uvadoc.uva.es/handle/10324/69148
url https://doi.org/10.1016/j.jct.2017.09.027
https://uvadoc.uva.es/handle/10324/69148
dc.language.none.fl_str_mv Español
language_invalid_str_mv Español
dc.relation.none.fl_str_mv https://doi.org/10.1016/j.jct.2017.09.027
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
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collection UVaDOC. Repositorio Documental de la Universidad de Valladolid
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