Thermodynamic properties of binary mixtures containing ketones. VI. Analysis of the properties of 2-propanone + n-alkane mixtures in terms of a quasi-chemical group contribution model

Kehiaian, H.V.; Grolier, J.-P.E.; Kechavarz, Mohammad-Reza; Benson, George C.

doi:10.1016/0378-3812(80)80055-0

Cited by 40 publications

(8 citation statements)

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“…The present c:, data will be useful for a reevaluation of the energy parameters used for calculating the main thermodynamic properties of n-alkanone containing mixtures in terms of the general quasi-chemical group contribution theory (1,2,32).…”

Section: Resultsmentioning

confidence: 99%

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Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K

Grolier¹,

Benson²

1984

Can. J. Chem.

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. Can. J. Chem. 62, 949 (1984). Excess molar volumes, v: , and excess molar heat capacities at constant pressure, c: , , , have been obtained for some n-alkanone + n-alkane mixtures at 298.15 K from density and volu~netric heat capacity measurements using liquid-flow techniques. The c:,, data are much more accurate than those estimated from the temperature dependence of other thermodynamic properties (excess free energies and/or excess enthalpies). The rather unusual composition dependence of the excess heat capacities -two minima, or W-shape curves -is most likely due to cooperative induced conformational molecular "arrangements" in these mixtures. Binary n-alkanone + n-alkane mixtures have been investigated fairly extensively from a thermodynamic point of view. For our part, we have measured a number of heats of mixing, and recently we published two review papers (1, 2) analysing the information available in the literature about the thermodynamic properties of this class of mixtures in terms of a quasi-chemical group contribution model. Surprisingly, no data could be found for their heat capacities. This lack of information, and our interest in binary liquid mixtures having an n-alkane as one component and a simple organic compound as the other, prompted us to investigate the excess molar heat capacity at constant pressure, c:, , , of n-alkanone + n-alkane E mixtures. C,,, is of importance since it is related to the structures of the pure component liquids and their variation when the liquids are mixed.The present paper reports c:,, and excess molar volumes, v:, both at 298.15 K , for binary mixtures of methylethylketone (MEK, or 2-butanone) with n-heptane, n-dodecane, and n-tetradecane, and of diethylketone (DEK, or 3-pentanone) with n-heptane. In addition, V: is reported for MEK + ndecane at 298.15 K. Experimental Component liquidsSources of the primary materials were as follows: methylethylketone and diethylketone (Certified Grade reagents) from Fisher Scientific Co., n-heptane (stated purity 2 99.5 mol%), n-decane (stated purity 2 99 mol%), n-dodecane (stated purity 2 9 9 mol%), and 11-tetradecane (stated purity 2 99.5 mol%) from Fluka. The two ketones were purified chromatographically using a column packed with Chromosorb P (60/80 mesh) containing 25 mass % Apiezon L. The alkanes were used without further purification. Prior to the experi-I NRCC No. 22772. This work is a contribution to the TOM project (ref. 32). mental measurements, the component liquids were carefully dried with molecular sieve beads (Union Carbide Type 4A) from Fluka. Density and heat capacity measurementsBinary mixtures were prepared by weighing. Densities, p, of the pure liquids and their mixtures were determined with a vibrating-tube densimeter (3) from Sodev (Model 02D). Before each series of measurements, the instrument was calibrated using a vacuum and degassed doubly distilled water: p(298.15 K) = 997.047 kg m-3 (4). Excess molar volumes were obtained from the density p of the mixture according to the relationwhere V,, Mi, and p...

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Section: Resultsmentioning

confidence: 99%

“…For our part, we have measured a number of heats of mixing, and recently we published two review papers (1,2) analysing the information available in the literature about the thermodynamic properties of this class of mixtures in terms of a quasi-chemical group contribution model. Surprisingly, no data could be found for their heat capacities.…”

mentioning

confidence: 99%

Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K

Grolier¹,

Benson²

1984

Can. J. Chem.

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“…The DIS and QUAC parameters needed in this work are listed in Table 2. The (a, k) contacts have been described previously in terms of the quasichemical approximation with z = 10, assuming that the interaction parameters change regularly with the structure of the ketones (13,14). Application of DIS and QUAC coefficients (Table 3; (4)) improves mainly the coexistence curves of liquid-liquid equilibria for the 2-propanone + n-alkane systems (Gonzfilez et al, unpublished results).…”

Section: Estimation Of the Interaction Parametersmentioning

confidence: 99%

“…However, such rules cannot be kept for the mixtures under study. Can Tables 2 4 . "Values obtained using the quasichemical approximation for the carbonyl-aliphatic interactions (13,14); the zeroth approximation for the ether-aliphatic (15) and ether-carbonyl (12) …”

Section: Estimation Of the Interaction Parametersmentioning

confidence: 99%

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DISQUAC characterization of the carbonyl–oxygen interactions in binary liquid organic mixtures containing linear molecules: ketones and a monoether, diether, or triether

González¹,

Martínez²,

Fuenté³

et al. 1996

Can. J. Chem.

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Abstract:The available data in the literature on vapor-liquid equilibria, excess Gibbs energies, and excess enthalpies for linear ketones + linear mono-or poly-ether mixtures are examined in terms of the DISQUAC group contribution model. Interaction parameters are reported. The quasichemical interchange coefficients are independent of the compounds in the systems; the dispersive interchange coefficients depend on the intramolecular environment of the carbonyl and (or) oxygen groups. Proximity effects, which seem to lead to an important increase of the interaction parameters, are briefly considered in treating systems including 1-methoxy-2-propanone or dimethyl carbonate molecules. DISQUAC consistently describes the experimental data of the mixtures investigated. The rather good representation obtained for vapor-liquid equilibria at high temperatures is noteworthy. A discussion in terms of effective and reduced dipole moments of binary mixtures containing carbonyl and oxygen groups in the same or different molecules is also presented.Key words: liquids, mixtures, thermodynamics, dipole moments, group contributions.Resume : Faisant appel au modkle de contribution de groupe aDISQUACn, on a examint les donntes disponibles dans la litttrature relatives aux tquilibres vapeur-liquide, aux tnergies de Gibbs en excks et aux enthalpies en excks pour des cttones lintaires + des mtlanges de mono-ou poly-tthers lintaires. On a dttermint les paramktres d'interaction. Les coefficients d'tchange quasichimiques sont indtpendants de la nature des composts dans les systkmes; les coefficients d'tchange dispersifs dtpendent de l'environnement intramoltculaire du groupe carbonyle et (ou) des oxygbnes. Dans le traitement des systkmes comportant des moltcules de 1-mtthoxypropan-2-one ou du carbonate de dimtthyle, on a brikvement considtrt des effets de proximitt qui semblent conduire h une augmentation importante des paramktres d'interaction. La mtthode DISQUAC dtcrit d'une f a~o n consistante les donntes exptrimentales des mtlanges ttudits. La reprtsentation relativement bonne obtenue pour les tquilibres vapeur-liquide i temptrature tlevte mtrite d'&tre notte. On prtsente aussi une discussion en terme de moments dipolaires effectifs et rtduits des mtlanges binaires contenant des groupes carbonyles et des oxygknes dans les memes moltcules ou dans des moltcules difftrentes.

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A two‐fluid, non‐random‐mixing theory for liquid mixtures

Panayiotou

1984

Can J Chem Eng

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Thermodynamic properties of binary mixtures containing ketones. VI. Analysis of the properties of 2-propanone + n-alkane mixtures in terms of a quasi-chemical group contribution model

Cited by 40 publications

References 62 publications

Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K

Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K

DISQUAC characterization of the carbonyl–oxygen interactions in binary liquid organic mixtures containing linear molecules: ketones and a monoether, diether, or triether

A two‐fluid, non‐random‐mixing theory for liquid mixtures

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