2026-04-29T19:13:05Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/54872024-11-05T11:09:06Zcom_10259_4393com_10259_5086com_10259_2604col_10259_4394
Repositorio Institucional de la Universidad de Burgos
author
González López, Juan Antonio
author
Alonso Tristán, Cristina
author
Hevia de los Mozos, Fernando
author
García de la Fuente, Isaías
author
Sanz, Luis Felipe
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.
eng
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
LLE
Aromatic nitrile
Proximity effects
Dipolar interactions
DISQUAC
Thermodynamics of mixtures containing aromatic nitriles
info:eu-repo/semantics/article
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