Activity coefficient at infinite dilution, azeotropic data, excess enthalpies and solid–liquid-equilibria for binary systems of alkanes and aromatics with esters

2005 ◽  
Vol 230 (1-2) ◽  
pp. 131-142 ◽  
Author(s):  
Eileen Collinet ◽  
Jürgen Gmehling
Keyword(s):  
Activity Coefficient ◽  
Infinite Dilution ◽  
Binary Systems ◽  
Excess Enthalpies ◽  
Solid Liquid

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.

Effect of association in the vapour phase on the value of activity coefficient

1979 ◽  
Vol 44 (4) ◽  
pp. 1187-1196 ◽  
Author(s):  
Ivona Malijevská
Keyword(s):  
Activity Coefficient ◽  
Binary Systems ◽  
Vapour Phase

The relations were obtained between the thermodynamically consistent activity coefficient of associating component and the activity coefficient calculated irrespective of the association in the vapour phase. The analysis is limited to binary systems with one associating component and is given for the two cases: (a) the associating component dimerizes only, (b) the associating component forms, in addition to a dimer, one higher associate, too.

scholarly journals Solubility of Anthraquinone Derivatives in Supercritical Carbon Dioxide: New Correlations

Molecules ◽  
2021 ◽  
Vol 26 (2) ◽  
pp. 460
Author(s):  
Ratna Surya Alwi ◽  
Chandrasekhar Garlapati ◽  
Kazuhiro Tamura
Keyword(s):  
Carbon Dioxide ◽  
Liquid Phase ◽  
Supercritical Carbon Dioxide ◽  
Binary Systems ◽  
Relative Deviation ◽  
Anthraquinone Derivatives ◽  
New Models ◽  
Solubility Isotherms ◽  
Solid Liquid ◽  
Supercritical Carbon

Solubility of several anthraquinone derivatives in supercritical carbon dioxide was readily available in the literature, but correcting ability of the existing models was poor. Therefore, in this work, two new models have been developed for better correlation based on solid–liquid phase equilibria. The new model has five adjustable parameters correlating the solubility isotherms as a function of temperature. The accuracy of the proposed models was evaluated by correlating 25 binary systems. The proposed models observed provide the best overall correlations. The overall deviation between the experimental and the correlated results was less than 11.46% in averaged absolute relative deviation (AARD). Moreover, exiting solubility models were also evaluated for all the compounds for the comparison purpose.

Overview of Activity Coefficient of Thiophene at Infinite Dilution in Ionic Liquids and their Modeling Using COSMO-RS

2016 ◽  
Vol 55 (3) ◽  
pp. 788-797 ◽  
Author(s):  
Pranesh Matheswaran ◽  
Cecilia Devi Wilfred ◽  
Kiki A. Kurnia ◽  
Anita Ramli
Keyword(s):  
Ionic Liquids ◽  
Activity Coefficient ◽  
Infinite Dilution
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