Thermodynamics of mixtures containing a very strongly polar compound. 11. 1-Alkanol+alkanenitrile systems

González, Juan Antonio; Hevia, Fernando; Cobos, Ana; Fuenté, Isaiás García de la; Alonso-Tristán, Cristina

doi:10.1016/j.tca.2015.02.021

Cited by 4 publications

(1 citation statement)

References 75 publications

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“…In addition, aromatic nitrile + organic solvent mixtures are characterized using DISQUAC and the interaction parameters for a number of contacts, CN/aliphatic; CN/aromatic and CN/OH, are provided. UNIFAC (Dortmund) and DISQUAC interaction parameters for the contacts CN/aliphatic and CN/OH in systems involving linear nitriles are available in the literature [7,18,19]. The mixtures 1-alkanol + linear nitrile or + benzonitrile have been investigated by means of the Flory theory [20], and the ERAS model [21] has been applied to 1-alkanol + benzonitrile systems [22].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of mixtures containing aromatic nitriles

González¹,

Alonso-Tristán

Hevia³

et al. 2018

The Journal of Chemical Thermodynamics

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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 (E m H), isochoric internal energies (E Vm U), isobaric heat capacities (E pm C) and volumes (E m V), 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 The E m V curves of solutions with longer 1-alkanols are more poorly described, which has been explained in terms of the existence of structural effects.

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Section: Introductionmentioning

confidence: 99%

Thermodynamics of mixtures containing aromatic nitriles

González¹,

Alonso-Tristán

Hevia³

et al. 2018

The Journal of Chemical Thermodynamics

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Thermodynamics of mixtures containing a very strongly polar compound. 12. Systems with nitrobenzene or 1-nitroalkane and hydrocarbons or 1-alkanols

González

Hevia

Sanz

et al. 2018

Fluid Phase Equilibria

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Mixtures involving nitrobenzene and hydrocarbons, or 1-alkanols and 1-nitroalkane, or nitrobenzene have been investigated on the basis of a whole set of thermophysical properties available in the literature. The properties considered are: excess molar functions (enthalpies, entropies, isobaric heat capacities, and volumes), vapour-liquid and liquid-liquid equilibria, permittivities or dynamic viscosities. In addition, the mixtures have been studied by means of the application of the DISQUAC, ERAS, and UNIFAC models, and using the formalism of the concentration-concentration structure factor. The corresponding interaction parameters in the framework of the DISQUAC and ERAS models are reported. In alkane mixtures, dipolar interactions between 1-nitroalkane molecules are weakened when the size of the polar compound increases, accordingly with the relative variation of their effective dipolar moment. Dipolar interactions are stronger in nitrobenzene solutions than in those containing the smaller 1-nitropropane, although both nitroalkanes have very similar effective dipole moment (aromaticity effect). Systems with 1-alkanols are characterized by dipolar interactions between like molecules which sharply increases when the alkanol size increases. Simultaneously, interactions between unlike molecules become weaker, as the OH group is then more sterically hindered. Interactions between unlike molecules are stronger in systems with nitromethane than in nitrobenzene solutions. The replacement of nitromethane by nitroethane in systems with a given 1-alkanol leads to strengthen those effects related with the alcohol self-association. Permittivity data and results on Kirkwood's correlation factors show that the addition of 1alkanol to a nitroalkane leads to cooperative effects, which increase the dipolar polarization of the solution, in such way that the destruction of the existing structure in pure liquids is partially counterbalanced. This effect is less important when longer 1-alkanols are involved.

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