Thermodynamics of mixtures containing the CO and OH groups. II. DISQUAC predictions on VLE and HE for ternary mixtures containing 1-alkanols, n-alkanones, and one organic solvent

1997 ◽  
Vol 75 (10) ◽  
pp. 1424-1433 ◽  
Author(s):  
Juan Antonio González ◽  
I. García De La Fuente ◽  
J.C. Cobos
Keyword(s):  
Organic Solvent ◽  
Ternary Systems ◽  
Group Contribution ◽  
Ternary Mixtures ◽  
Oh Groups ◽  
Relative Standard ◽  
Ternary Interactions ◽  
Group Contribution Model ◽  
Thermodynamics Of Mixtures

Thermodynamic properties: vapour–liquid equilibria, VLE, or excess enthalpies, HE, for a set of 21 ternary mixtures of the type 1-alkanol + n-alkanone + organic solvent are studied in the framework of the DISQUAC group contribution model. This treatment is extended to the binaries involved. The DISQUAC analysis is developed on the basis of binary interactions only, that is, ternary interactions are neglected. Most of the interchange coefficients needed are available in the literature. The average relative standard deviations are 0.026 for pressure in the VLE (12 systems) and 0.098 in the HE (9 systems). The discrepancies observed are briefly discussed. Keywords: 1-alkanols, n-alkanones, group contribution, liquids, ternary systems, thermodyamics.

Thermodynamics of mixtures containing the CO and OH groups. I. Estimation of the DISQUAC interchange coefficients for 1-alkanol + n-alkanone systems

1997 ◽  
Vol 75 (10) ◽  
pp. 1412-1423 ◽  
Author(s):  
Juan Antonio González
Keyword(s):  
Infinite Dilution ◽  
Detailed Comparison ◽  
Excess Enthalpies ◽  
Oh Groups ◽  
Molar Excess ◽  
Relative Standard ◽  
Wide Range ◽  
Different Temperatures ◽  
Group Contribution Model ◽  
Solid Liquid

1-Alkanol + n-alkanone mixtures are treated in terms of the DISQUAC group contribution model, reporting the interaction parameters for hydroxyl–carbonyl contacts. The quasichemical interchange coefficients are independent of the compounds in the mixture; the dispersive interchange coefficients depend on the intramolecular environment of the hydroxyl and (or) carbonyl groups. Mixtures of a given 1-alkanol with isomeric ketones are characterized by the same first dispersive interaction parameter, which is constant from 2-pentanone. This type of system, when including an alcohol up to 1-pentanol, needs different dispersive enthalpic parameters depending on the symmetry of the ketone. In this case, such parameters are constant from 2-pentanone or 3-pentanone. A detailed comparison is presented between DISQUAC results and data available in the literature on vapour–liquid equilibria, VLE (including azeotropic data), molar Gibbs energies, GE, molar excess enthalpies, HE, solid–liquid equilibria, SLE, natural logarithms of activity coefficients, In [Formula: see text] and partial molar excess enthalpies at infinite dilution,[Formula: see text]. For 54 systems, the mean relative standard deviation in pressure is 0.018; for 61 systems, this magnitude in the case of the HE is 0.059. It is noteworthy that the model yields good predictions over a very wide range of temperature for VLE and SLE. HE is also reasonably well represented at different temperatures. Larger discrepancies are encountered, as usual, for partial molar quantities at infinite dilution. Keywords: liquids, mixtures, thermodynamic properties, group contributions.

Catalytic hydrogenation of binary and ternary mixtures of unsaturated substances in the liquid phase on platinum

1979 ◽  
Vol 44 (8) ◽  
pp. 2378-2383 ◽  
Author(s):  
Libor Červený ◽  
Radka Junová ◽  
Vlastimil Růžička
Keyword(s):  
Liquid Phase ◽  
Binary Mixtures ◽  
Silica Gel ◽  
Catalytic Hydrogenation ◽  
Ternary Systems ◽  
Ternary Mixtures ◽  
Unsaturated Alcohol ◽  
Solvent Concentration ◽  
Binary And Ternary Mixtures ◽  
Hydrogenation Selectivity

Hydrogenation of olefinic substrates in binary and ternary mixtures using 5% Pt on silica gel as the catalyst was studied in normal conditions in the liquid phase with methanol or cyclohexane or in solvent-free systems. The effect of the solvent concentration on the selectivity of hydrogenation of the unsaturated alcohol-olefin binary mixtures was investigated. In ternary systems of unsaturated substrates, the effect of each of the substrates on the selectivity of hydrogenation of the remaining two substances was examined. Another system was found in which a jump change of the hydrogenation selectivity occurred on the vanishing of the fastest reacting substance.

scholarly journals A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298K

2013 ◽  
Vol 354 ◽  
pp. 265-285 ◽  
Author(s):  
Farhad Gharagheizi ◽  
Poorandokht Ilani-Kashkouli ◽  
William E. Acree ◽  
Amir H. Mohammadi ◽  
Deresh Ramjugernath
Keyword(s):  
Organic Compounds ◽  
Group Contribution ◽  
Reference Temperature ◽  
Sublimation Enthalpy ◽  
Group Contribution Model

Solvent Flooding Displacement Efficiency in Relation to Ternary Phase Behavior

1972 ◽  
Vol 12 (02) ◽  
pp. 89-95 ◽  
Author(s):  
Ahmad H.M. Totonji ◽  
S.M. Farouq Ali
Keyword(s):  
Porous Medium ◽  
Porous Media ◽  
Phase Behavior ◽  
Ternary Phase ◽  
Ternary Systems ◽  
Ternary Mixtures ◽  
Displacement Mechanism ◽  
Irreducible Water Saturation ◽  
Experimental Runs

Abstract The chief objective of the study was to exercise control on the system phase behavior through the use of mixtures of two alcohols exhibiting opposite phase behavior characteristics in the alcohol-hydrocarbon-water system involved. Such systems were employed in displacements in porous media to ascertain their effectiveness. Introduction Displacement of oil and water in a porous medium by a mutually miscible alcohol or other solvent has been the subject of numerous investigations. This process, in spite of its limited scope as an oil recovery method, has certain mechanistic features that are of value in gaining an understanding of some of the newer recovery techniques (e.g., the Maraflood* process). The works of Gatlin and Slobod, proposing piston-like displacement of oil and water by a miscible alcohol; of Taber et al., describing the displacement mechanism in terms of the ternary phase behavior involved; and of Holm and Csaszar, defining displacement mechanism in terms of phase velocity ratio, are major contributions in this area. In a later work, Taber and Meyer suggested the addition of small amounts of oil and water (as the case may be) to the alcohol used for displacement, since this helped to obtain piston-like displacements with systems that are usually characterized by the efficient displacement of either oil or water. APPARATUS, EXPERIMENTAL PROCEDURE, AND SIMULATOR PROCEDURE, AND SIMULATOR The procedure employed for determining the equilibrium phase behavior of ternary systems involved the titration of a hydrocarbon-water (or brine) mixture by the particular solvent (pure alcohol, or alcohol mixture) for the determination of the binodal curve, and the analysis by refractive index measurement of ternary mixtures having known compositions for the determination of the tie lines. Since the procedure is valid for strictly ternary systems, its use in this case where essentially quaternary systems are involved would yield the total alcohol content rather than the correct proportion of each alcohol. The ternary diagrams presented should be viewed with this limitation in mind. presented should be viewed with this limitation in mind. The apparatus used for experimental runs in porous media consisted of a positive displacement Ruska pump and a core encased in a steel pipe. Suitable sampling apparatus and auxiliary equipment were employed. Most runs consisted of injecting a slug of the particular solvent into a core initially containing a residual oil (waterflood) or irreducible water saturation, at a constant rate, and then following the slug by water or brine. The effluent samples collected were analyzed for the hydrocarbon, water and alcohol in order to plot the production histories. Complete experimental details and fluid production histories. Complete experimental details and fluid properties are given in Ref. 6. Table 1 lists the properties properties are given in Ref. 6. Table 1 lists the properties of the porous media used. Computer simulations of some of the experimental runs, as well as exploratory simulations, were carried out using the method earlier reported. The method basically consists in the representation of a porous medium by a certain number of cells containing immobile oil (or oleic) and water (or aqueous) fractions into which alcohol is injected in a stepwise manner allowing for phase changes. SPEJ P. 89

Behaviour of biomolecules in water-organic solvent-inorganic salt two-phase ternary systems

1981 ◽  
Vol 216 ◽  
pp. 346-349 ◽  
Author(s):  
Vladimir Yur'evich Ryashentsev ◽  
Mikhail Arkad'evich Voskoboinikov ◽  
Efim Semenovich Vainerman ◽  
Sergei Vasil'evich Rogozhin
Keyword(s):  
Organic Solvent ◽  
Inorganic Salt ◽  
Ternary Systems ◽  
Two Phase

Group Contribution Model for Predicting Viscosity of Fatty Compounds

2007 ◽  
Vol 52 (3) ◽  
pp. 965-972 ◽  
Author(s):  
Roberta Ceriani ◽  
Cintia B. Gonçalves ◽  
Juliana Rabelo ◽  
Marcel Caruso ◽  
Ana C. C. Cunha ◽  
...  
Keyword(s):  
Group Contribution ◽  
Group Contribution Model

scholarly journals The multivariate calculation of material balances of flowsheets for separating ternary mixtures of different physical-chemical nature

2016 ◽  
Vol 11 (3) ◽  
pp. 47-57 ◽  
Author(s):  
A. V. Frolkova ◽  
M. A. Ablizin ◽  
M. A. Mayevskiy ◽  
A. K. Frolkova
Keyword(s):  
Phase Diagrams ◽  
Chemical Nature ◽  
Material Balance ◽  
Ternary Systems ◽  
Butyl Alcohol ◽  
Ternary Mixtures ◽  
Two Phase ◽  
Physical Chemical ◽  
Alcohol Water

An approach to the determination of free variables required for calculating the material balance of the flowsheet of ternary mixtures separation is presented. Phase diagrams of the considered ternary systems are characterized by the presence of a two-phase splitting area and by the presence of different amounts of azeotropes (classes 3.1.0, 3.1.1, 3.2.1 and 3.3.1). For all the systems flowsheets containing three rectification columns and a florentine vessel for separation were suggested. The multivariance of the solution of the balance problem was shown. The approach was illustrated by the example of real ternary systems characterized by different phase diagrams (methanol - chloroform - water, butyl alcohol - water - toluene, nitromethane - hexane - water). The parameters of the rectification columns were presented.

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