RT info:eu-repo/semantics/article
T1 Thermodynamics of mixtures containing aromatic nitriles
A1 González, Juan Antonio
A1 Alonso Tristán, Cristina
A1 Hevia, Fernando
A1 García de la Fuente, Isaías
A1 Sanz, Luis Felipe
K1 LLE
K1 Aromatic nitrile
K1 Proximity effects
K1 Dipolar interactions
K1 DISQUAC
K1 Ingeniería química
K1 Chemical engineering
K1 Termodinámica
K1 Thermodynamics
AB 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.
PB Elsevier
SN 0021-9614
YR 2018
FD 2018-01
LK http://hdl.handle.net/10259/5487
UL http://hdl.handle.net/10259/5487
LA eng
NO Consejería de Educación y Cultura of Junta de Castilla y León, under Project BU034U16
DS Repositorio Institucional de la Universidad de Burgos
RD 25-abr-2024