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    Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/69148

    Título
    Thermodynamics of mixtures containing aromatic nitriles
    Autor
    González López, Juan Antonio MarianoAutoridad UVA Orcid
    Alonso-Tristán, Cristina
    Hevia de los Mozos, Luis FernandoAutoridad UVA Orcid
    García de la Fuente, Isaías LaudelinoAutoridad UVA Orcid
    Sanz del Soto, Luis Felipe
    Año del Documento
    2018
    Editorial
    Elsevier
    Documento Fuente
    The Journal of Chemical Thermodynamics, 2018, 116, 259-272
    Resumo
    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.
    Materias (normalizadas)
    Termodinámica
    Materias Unesco
    2213 Termodinámica
    ISSN
    0021-9614
    Revisión por pares
    SI
    DOI
    10.1016/j.jct.2017.09.027
    Patrocinador
    Junta de Castilla y León Regional Grant BU034U16
    Ministerio de Educación, Cultura y Deporte (MECD): Grant FPU14/04104
    Version del Editor
    https://doi.org/10.1016/j.jct.2017.09.027
    Idioma
    spa
    URI
    https://uvadoc.uva.es/handle/10324/69148
    Tipo de versión
    info:eu-repo/semantics/acceptedVersion
    Derechos
    openAccess
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    • DEP31 - Artículos de revista [166]
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    Universidad de Valladolid

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