Prediction of excess functions of some multicomponent organic mixtures of hydrocarbons with a group contribution model

The data available in the literature for the molar excess Gibbs energies GE, azeotropes, molar excess enthalpies HE, activity coefficients γi∞, and partial molar excess enthalpies HiE,∞, at infinite dilution, and molar excess heat capacities CpE, of n‐alkan‐1‐ol (1) + n‐alkane (2) mixtures are examined on the basis of the DISQUAC group contribution model. Being available the interaction parameters for systems containing methanol or ethanol, we report the interchange coefficients from propanol to hexadecanol: Cah.1DISand Cah,1QUAC (1 = 1,2 or 3). For the dispersive coefficients: Cah,1DIS increase with the size of the n‐alkan‐1‐ol; Cah,3DIS decrease as far as propanol, and then increase regularly, an opposite behaviour is encountered for Cah,3DIS the quasichemical coefficients: Cah,1.DIS and Cah,3.DIS are constant, and Cah,3CUAC varies in a similar way to the maximum of the HE of the mixtures under study; from decanol, they are constant. The model describes consistently the molar excess functions for the systems investigated, even the CpE and, qualitatively, the temperature dependence of this magnitude. Partial molar excess quantities at infinite dilution are reasonably well represented. Larger differences are obtained for H1E,∞.

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A Characterization of the Aliphatic/Hydroxyl Interactions using a Group Contribution Model (Disquac)

González

Fuente

Cobos

et al. 1991

Ber Bunsenges Phys Chem

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103

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DISQUAC predictions on VLE andH^Efor ternary mixtures containing 1‐alkanols and hydrocarbons

González

Fuente

Cobos

et al. 1994

Ber Bunsenges Phys Chem

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Thermodynamic properties, vapor‐liquid equilibrium or excess enthalpy, for a set of 13 ternary mixtures including one or two 1‐alkanols and hydrocarbons are studied in the framework of the DISQUAC group contribution model. The study is extended for the binaries involved. The DISQUAC analysis is developed using interchange coefficients available in the literature. No ternary interactions are taken into account.The average relative standard deviations are 0.02 for pressure in the vapor‐liquid equilibria (4 systems); and 0.07 for the excess enthalpy (9 systems).

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Prediction of excess enthalpies of some ternary systems involving a binary mixture with a miscibility gap using a group contribution model

et al. 1991

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Prediction of excess functions of some multicomponent organic mixtures of hydrocarbons with a group contribution model

Cited by 9 publications

References 17 publications

A Characterization of the Aliphatic/Hydroxyl Interactions using a Group Contribution Model (Disquac)

A Characterization of the Aliphatic/Hydroxyl Interactions using a Group Contribution Model (Disquac)

DISQUAC predictions on VLE andH^Efor ternary mixtures containing 1‐alkanols and hydrocarbons

Prediction of excess enthalpies of some ternary systems involving a binary mixture with a miscibility gap using a group contribution model

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Prediction of excess functions of some multicomponent organic mixtures of hydrocarbons with a group contribution model

Cited by 9 publications

References 17 publications

A Characterization of the Aliphatic/Hydroxyl Interactions using a Group Contribution Model (Disquac)

A Characterization of the Aliphatic/Hydroxyl Interactions using a Group Contribution Model (Disquac)

DISQUAC predictions on VLE andHEfor ternary mixtures containing 1‐alkanols and hydrocarbons

Prediction of excess enthalpies of some ternary systems involving a binary mixture with a miscibility gap using a group contribution model

Contact Info

Product

Resources

About

DISQUAC predictions on VLE andH^Efor ternary mixtures containing 1‐alkanols and hydrocarbons