Isothermal vapor-liquid equilibrium of ternary mixtures formed by 1-propanol, acetonitrile and benzene
TL;DR: In this article, the UNIQUAC associated-solution model was used for the ternary system 1-propanol-acetonitrile-benzene at 45°C.
About: This article is published in Fluid Phase Equilibria.The article was published on 1985-01-01. It has received 13 citations till now. The article focuses on the topics: Ternary numeral system & Propanol.
Citations
More filters
TL;DR: In this paper, isothermal vapour liquid equilibrium data for acetonitrile-1-propanol at 45°C were measured by use of a recirculating still, and the experimental results were compared with those calculated from the UNIQUAC associated-solution model.
22 citations
TL;DR: In this article, the authors used the Flory model and the concentration-concentration structure factor (SCC(0)) formalism to evaluate the enthalpy of the hydroxyl-nitrile interactions.
Abstract: 1-Alkanol + alkanenitrile or + benzonitrile systems have been investigated by means of the molar excess functions—enthalpies (HmE), isobaric heat capacities (Cp,mE), volumes (VmE), and entropies—and using the Flory model and the concentration–concentration structure factor (SCC(0)) formalism. From the analysis of the experimental data available in the literature, it is concluded that interactions are mainly of dipolar type. In addition, large HmE values contrast with rather low VmE values, indicating the existence of strong structural effects. HmE measurements have been used to evaluate the enthalpy of the hydroxyl–nitrile interactions (ΔHOH–CN). They are stronger in methanol systems and become weaker when the alcohol size increases. In solutions with a given short chain 1-alkanol (up to 1-butanol), the replacement of ethanenitrile by butanenitrile weakens the mentioned interactions. Application of the Flory model shows that orientational effects exist in methanol or 1-nonanol, or 1-decanol + ethanenitril...
20 citations
Cites methods from "Isothermal vapor-liquid equilibrium..."
...0 kJ mol is used for the mixtures methanol, ethanol, or 1-propanol + ethanenitrile.(8-10) In the association model with...
[...]
...10 and only linear polymers for self-association of 1-alcohols and for alcohol-nitrile solvation are taken into account.(8-10) The well-known ERAS model(11) and the Flory-Benson-Treszczanowicz theory(12) have been applied to some 1-alkanol + ethanenitrile, + propanenitrile, + butanenitrile or + benzonitrile mixtures....
[...]
...above.(8-10) In this case, the physical contribution to E m H is obtained from the UNIQUAC equation, 8-...
[...]
...1/2 2 E E m,exp m,calc E m E m,exp 1 ( ) r H H H N H σ − = ∑ (8)...
[...]
TL;DR: In this article, isothermal quaternary vapour-liquid equilibria for mixtures containing ethanol, 1-propanol, acetonitrile and benzene have been measured using a vapourrecirculating Boublik still at 318.15 K.
Abstract: Isothermal quaternary vapour-liquid equilibria for mixtures containing ethanol, 1-propanol, acetonitrile and benzene have been measured using a vapour-recirculating Boublik still at 318.15 K. The experimental results compare well with those calculated from the UNIQUAC associated-solution model, which assumes the association of alsochols and the solvation of unlike molecules and includes binary parameters alone.
5 citations
TL;DR: In this paper, the DISQUAC and ERAS parameters for the alkanol/nitrile interactions are reported and the dependence on the molecular structure of the interaction parameters is similar to that observed in other previous applications to mixtures formed by a strongly polar compound.
5 citations
TL;DR: In this paper, a new association model whose equilibrium constants are defined in terms of the modified segment fractions of chemical species was proposed to predict ternary phase equilibria and excess molar enthalpies for mixtures containing alcohol, acetonitrile, and benzene or chlorobenzene or toluene.
Abstract: The binary vapor-liquid, liquid-liquid equilibria and excess molar enthalpies of mixtures including alcohol and acetonitrile are correlated well with a new association model whose equilibrium constants are defined in terms of the modified segment fractions of chemical species. The model shows a good performance in predicting the ternary phase equilibria and excess molar enthalpies for mixtures containing alcohol, acetonitrile, and benzene or chlorobenzene or toluene from only binary parameters.
5 citations
References
More filters
TL;DR: Nothnagel et al. as discussed by the authors developed an accurate method for predicting second virial coefficients using only critical properties and molecular parameters, all of which may usually be estimated from molecular structure to the required accuracy.
Abstract: Expressions for predicting pure-component and cross second virial coefficients for simple and complex systems have been developed from the bound-pair formalism of Stogryn and Hirschfelder. For pure components, the generalized correlation requires the critical temperature and pressure, Thompson's mean radius of gyration or the parachor, dipole moment, and, if appropriate, a parameter to describe chemical association which depends only in the type of group (hydroxyl, amine, ester, carboxylic acid, etc.). Mixing rules have been developed for predicting cross coefficients and solvation effects can be accounted for in a similar manner to association. Agreement with experimental data on 39 nonpolar and 102 polar and associating compounds, 119 mixed nonpolar systems, and 73 mixed systems involving polar compounds, is comparable to or better than that of several other correlations including those which require data to obtain parameters. The method should be most accurate for systems of complex molecules where no data are available In order to accurately predict phase equilibria involving the vapor phase at pressures above atmospheric, deviations from the perfect-gas law usually need to be taken into account (Prausnitz, 1969; Nagata and Yasuda, 1974). The vinal equation terminated at the second coefficient is a simple but accurate method for conditions up to a density of about one-half the critical and has been employed in completely developed methods for predicting vapor-liquid equilibria such as Prausnitz et al. (1967). Several analytical methods for predicting values for the second virial coefficient have been developed (Black, 1958; O'Connell and Prausnitz, 1967; Kreglewski, 1969; Nothnagel et al., 1973; Tsonopoulos, 1974), but except for the last, all suffer from the disadvantage of often requiring one or more parameters that must be obtained from data, or the results are too inaccurate to be acceptable. This work develops an accurate method for predicting second virial coefficients using only critical properties and molecular parameters. all of which may usually be estimated from molecular structure to the required accuracy. From extensive comparisons with pure component and cross vinal coefficient data, the present method appears to be more consistently accurate than any other purely predictive method. In addition, for strongly associating substances, the method predicts association effects at higher densities in a realistic fashion (Nothnagel et al., 1973) using a parameter which depends only on the group interaction.
1,131 citations
645 citations
TL;DR: In this article, two new expressions for the excess Gibbs energy of liquid mixtures are derived from Guggenheim's quasi-lattice model and Wilson's local composition concept.
163 citations
TL;DR: In this paper, enthalpies of ethanol in seven non-polar solvents at temperatures from 283.15 to 318.15 K were reported. But the authors did not consider the effect of mixing more than two ethanol molecules.
141 citations
TL;DR: In this paper, a method for determining the enthalpy of hydrogen-bond formation and the equilibrium association constant for pure liquid compounds is presented, based on an association model derived from Flory's theory of mixtures of polymers.
131 citations