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oai:riubu.ubu.es:10259/54872024-11-05T11:09:06Zcom_10259_4393com_10259_5086com_10259_2604col_10259_4394

González López, Juan Antonio 6258fd6c-c3fd-4a03-899d-b967f9c11638 600 Alonso Tristán, Cristina 23 500 0000-0003-4733-7391 Hevia de los Mozos, Fernando 8f74831b-80a4-473f-8e62-91b3861e68bb 600 García de la Fuente, Isaías df93aa25-48ce-4b58-a493-8e7d15de3821 500 Sanz, Luis Felipe 0026cbf0-2057-4997-b9de-3f23fff643c4 500 2020-09-28T09:23:25Z 2020-09-28T09:23:25Z 2018-01 0021-9614 http://hdl.handle.net/10259/5487 10.1016/j.jct.2017.09.027 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 (), isochoric internal energies (), isobaric heat capacities () and volumes (), and the Kirkwood’s correlation factor. Due to proximity effects between the phenyl and the CN groups, dipolar interactions between molecules of aromatic nitriles are stronger than those 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, of benzonitrile + hydrocarbon mixtures and of benzonitrile + cyclohexane, or 1-alkanol systems. Large differences encountered between theoretical 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 of these systems. The curves of solutions with longer 1-alkanols are more poorly described, which has been explained in terms of the existence of structural effects. Consejería de Educación y Cultura of Junta de Castilla y León, under Project BU034U16 application/pdf eng Elsevier The Journal of Chemical Thermodynamics. 2018, V. 116, p. 259-272 https://doi.org/10.1016/j.jct.2017.09.027 info:eu-repo/grantAgreement/JCyL/BU034U16 Attribution-NonCommercial-NoDerivatives 4.0 Internacional http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess LLE Aromatic nitrile Proximity effects Dipolar interactions DISQUAC Ingeniería química Chemical engineering Thermodynamics Termodinámica Thermodynamics of mixtures containing aromatic nitriles info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion The Journal of Chemical Thermodynamics 116 259 272 TEXT Gonzalez-jct-2018.pdf.txt Gonzalez-jct-2018.pdf.txt Extracted text text/plain 71712 https://riubu.ubu.es/bitstream/10259/5487/5/Gonzalez-jct-2018.pdf.txt 55b5bffa385fdb4d6206422e9e5dddd9 MD5 5 THUMBNAIL Gonzalez-jct-2018.pdf.jpg Gonzalez-jct-2018.pdf.jpg IM Thumbnail image/jpeg 4408 https://riubu.ubu.es/bitstream/10259/5487/4/Gonzalez-jct-2018.pdf.jpg 67dd2ca1553dec3beab5258ab4c36cff MD5 4 LICENSE license.txt license.txt text/plain; charset=utf-8 999 https://riubu.ubu.es/bitstream/10259/5487/3/license.txt b295bcbce42e2caabeb0c623d3860c06 MD5 3 CC-LICENSE license_rdf license_rdf application/rdf+xml; charset=utf-8 805 https://riubu.ubu.es/bitstream/10259/5487/2/license_rdf 4460e5956bc1d1639be9ae6146a50347 MD5 2 ORIGINAL Gonzalez-jct-2018.pdf Gonzalez-jct-2018.pdf application/pdf 1057977 https://riubu.ubu.es/bitstream/10259/5487/1/Gonzalez-jct-2018.pdf de3edde81ea7057d3f62907ce16a63c7 MD5 1 10259/5487 oai:riubu.ubu.es:10259/5487 2024-11-05 12:09:06.194 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es 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