Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes

Liquid−liquid equilibrium (LLE) phase diagrams have been determined, by means of the critical opalescence method with a laser scattering technique, for the mixtures 4-phenylbutan-2- one + CH3(CH2)nCH3 (n = 10,12,14) and for benzyl ethanoate + CH3(CH2)nCH3 (n = 12,14). The systems are characterized b...

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Autores: Alonso Tristán, Cristina, González López, Juan Antonio, Hevia de los Mozos, Fernando, García de la Fuente, Isaías, Cobos, José Carlos .
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2017
País:España
Institución:Universidad de Burgos (UBU)
Repositorio:Repositorio Institucional de la Universidad de Burgos (RIUBU)
OAI Identifier:oai:riubu.ubu.es:10259/4698
Acceso en línea:http://hdl.handle.net/10259/4698
Access Level:acceso abierto
Palabra clave:Electrical engineering
Electrotecnia
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spelling Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected AlkanesAlonso Tristán, CristinaGonzález López, Juan AntonioHevia de los Mozos, FernandoGarcía de la Fuente, IsaíasCobos, José Carlos .Electrical engineeringElectrotecniaLiquid−liquid equilibrium (LLE) phase diagrams have been determined, by means of the critical opalescence method with a laser scattering technique, for the mixtures 4-phenylbutan-2- one + CH3(CH2)nCH3 (n = 10,12,14) and for benzyl ethanoate + CH3(CH2)nCH3 (n = 12,14). The systems are characterized by having an upper critical solution temperature (UCST), which increases with n. The corresponding LLE curves show a rather horizontal top and become skewed toward higher mole fractions of the polar compound when n is increased. Calorimetric and LLE measurements show that, for mixtures with molecules with a given functional group, interactions between aromatic molecules are stronger than those between homomorphic linear molecules (aromaticity effect). This has been ascribed to proximity effects arising from the presence of the polar group and the aromatic ring within the same molecule. Proximity effects become weaker in the sequence 1-phenylpropan-2-one >4-phenylbutan-2-one >1-phenylethanone and are more important in benzyl ethanoate than in ethyl benzoate molecules. Values of the critical compositions and temperatures calculated with the DISQUAC group contribution model are in good agreement with the experimental results. Accordingly, the shape of the LLE curves is also correctly described by DISQUAC.Junta de Castilla y León, under Project BU034U16American Chemical Society201820182017info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttp://hdl.handle.net/10259/4698reponame:Repositorio Institucional de la Universidad de Burgos (RIUBU)instname:Universidad de Burgos (UBU)InglésJournal of Chemical and Engineering Data. 2017, V. 62, n. 3, p. 988–994https://doi.org/10.1021/acs.jced.6b00803info:eu-repo/grantAgreement/JCyL/BU034U16/info:eu-repo/semantics/openAccessoai:riubu.ubu.es:10259/46982026-05-28T07:56:11Z
dc.title.none.fl_str_mv Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
title Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
spellingShingle Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
Alonso Tristán, Cristina
Electrical engineering
Electrotecnia
title_short Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
title_full Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
title_fullStr Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
title_full_unstemmed Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
title_sort Liquid–Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
dc.creator.none.fl_str_mv Alonso Tristán, Cristina
González López, Juan Antonio
Hevia de los Mozos, Fernando
García de la Fuente, Isaías
Cobos, José Carlos .
author Alonso Tristán, Cristina
author_facet Alonso Tristán, Cristina
González López, Juan Antonio
Hevia de los Mozos, Fernando
García de la Fuente, Isaías
Cobos, José Carlos .
author_role author
author2 González López, Juan Antonio
Hevia de los Mozos, Fernando
García de la Fuente, Isaías
Cobos, José Carlos .
author2_role author
author
author
author
dc.subject.none.fl_str_mv Electrical engineering
Electrotecnia
topic Electrical engineering
Electrotecnia
description Liquid−liquid equilibrium (LLE) phase diagrams have been determined, by means of the critical opalescence method with a laser scattering technique, for the mixtures 4-phenylbutan-2- one + CH3(CH2)nCH3 (n = 10,12,14) and for benzyl ethanoate + CH3(CH2)nCH3 (n = 12,14). The systems are characterized by having an upper critical solution temperature (UCST), which increases with n. The corresponding LLE curves show a rather horizontal top and become skewed toward higher mole fractions of the polar compound when n is increased. Calorimetric and LLE measurements show that, for mixtures with molecules with a given functional group, interactions between aromatic molecules are stronger than those between homomorphic linear molecules (aromaticity effect). This has been ascribed to proximity effects arising from the presence of the polar group and the aromatic ring within the same molecule. Proximity effects become weaker in the sequence 1-phenylpropan-2-one >4-phenylbutan-2-one >1-phenylethanone and are more important in benzyl ethanoate than in ethyl benzoate molecules. Values of the critical compositions and temperatures calculated with the DISQUAC group contribution model are in good agreement with the experimental results. Accordingly, the shape of the LLE curves is also correctly described by DISQUAC.
publishDate 2017
dc.date.none.fl_str_mv 2017
2018
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 http://hdl.handle.net/10259/4698
url http://hdl.handle.net/10259/4698
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Journal of Chemical and Engineering Data. 2017, V. 62, n. 3, p. 988–994
https://doi.org/10.1021/acs.jced.6b00803
info:eu-repo/grantAgreement/JCyL/BU034U16/
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:Repositorio Institucional de la Universidad de Burgos (RIUBU)
instname:Universidad de Burgos (UBU)
instname_str Universidad de Burgos (UBU)
reponame_str Repositorio Institucional de la Universidad de Burgos (RIUBU)
collection Repositorio Institucional de la Universidad de Burgos (RIUBU)
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.300719

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