RT info:eu-repo/semantics/article
T1 Orientational Effects and Random Mixing in 1‑Alkanol + Nitrile Mixtures
A1 González, Juan Antonio
A1 García de la Fuente, Isaías
A1 Cobos, José Carlos .
A1 Alonso Tristán, Cristina
A1 Sanz, Luis Felipe
K1 Ingeniería química
K1 Chemical engineering
AB 1-Alkanol + alkanenitrile or + benzonitrile systems have been investigated by means of the molar excessfunctionsenthalpies (Hm E ), isobaric heat capacities (Cp,mE ), volumes (Vm E ), and entropiesand using the Flory model and theconcentration−concentration structure factor (SCC(0)) formalism. From the analysis of the experimental data available in theliterature, it is concluded that interactions are mainly of dipolar type. In addition, large Hm E values contrast with rather low Vm Evalues, indicating the existence of strong structural effects. Hm E measurements have been used to evaluate the enthalpy of thehydroxyl−nitrile interactions (ΔHOH−CN). They are stronger in methanol systems and become weaker when the alcohol sizeincreases. In solutions with a given short chain 1-alkanol (up to 1-butanol), the replacement of ethanenitrile by butanenitrileweakens the mentioned interactions. Application of the Flory model shows that orientational effects exist in methanol or 1-nonanol, or 1-decanol + ethanenitrile mixtures. In the former solution, this is due to the existence of interactions between unlikemolecules. For mixtures including 1-nonanol or 1-decanol, the systems at 298.15 K are close to their UCST (upper criticalsolution temperature), and interactions between like molecules are dominant. Orientational effects also are encountered inmethanol or ethanol + butanenitrile mixtures because self-association of the alcohol plays a more important role. Aromaticityeffect seems to enhance orientational effects. For the remainder of the systems under consideration, the random mixinghypothesis is attained to a rather large extent. Results from the application of the SCC(0) formalism show that homocoordinationis the dominant trend in the investigated solutions, and are consistent with those obtained from the Flory model.
PB American Chemical Society
SN 0888-5885
YR 2015
FD 2015-01
LK http://hdl.handle.net/10259/4704
UL http://hdl.handle.net/10259/4704
LA eng
DS Repositorio Institucional de la Universidad de Burgos
RD 16-abr-2024