Evaluation of the Carbonyl/Chlorine Interaction Parameters in Pentan-3-one-Chloroalkane Mixtures Using the Disquac Group Contribution Model

2000 ◽  
Vol 65 (10) ◽  
pp. 1559-1572 ◽  
Author(s):  
Mariana Teodorescu ◽  
Ivan Wichterle
Keyword(s):  
Experimental Data ◽  
Chain Length ◽  
Group Contribution ◽  
Interaction Parameters ◽  
Liquid Equilibrium ◽  
Disquac Model ◽  
Thermodynamic Behaviour ◽  
Consistent Description ◽  
Group Contribution Model

Thermodynamic behaviour of the eight systems containing pentan-3-one and a chloroalkane, namely 1-chlorobutane, 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-trichloroethane, tetrachloromethane and 1,1,2,2-tetrachloro- ethane was interpreted in terms of the DISQUAC group contribution model. It was found that quasichemical term for the contact C=O/Cl in the pentan-3-one-α,ω-dichloroalkane and pentan-3-one-1,1,1-trichloroethane systems is not negligible. The DISQUAC dispersive interchange parameters for C=O/Cl contact in these systems were evaluated from literature data on linear ketone + 1-chloroalkane systems. It was found that the best description of experimental data for systems containing 1-chlorobutane, trichloromethane, tetrachloromethane, and 1,1,2,2-tetrachloroethane is provided using only dispersive contribution of the C=O/Cl contact. The vapour-liquid equilibrium, GE, and HE data were calculated using the DISQUAC model and compared with experimental data. The model provides a fairly consistent description. The relation between the DISQUAC interchange parameters for C=O/Cl contact and the chloroalkane chain length was established.

Measurement and Correlation of Solubility of LiBr in Binary Solvents Formed by Acetone and Water Using LIFAC Model

2012 ◽  
Vol 455-456 ◽  
pp. 911-918 ◽  
Author(s):  
Bo Jiang ◽  
Li Sheng Wang ◽  
Mi Yi Li
Keyword(s):  
Experimental Data ◽  
Analytical Method ◽  
Mixed Solvents ◽  
Lithium Bromide ◽  
Binary Solvents ◽  
Interaction Parameters ◽  
Liquid Equilibrium ◽  
Acetone Water ◽  
Solid Liquid ◽  
Mixed Water

The solubility of lithium bromide in mixed solvents formed by acetone and water was determined in the temperature range between (293.15 and 323.15) K using a static analytical method. The solubilities of LiBr in mixed water-acetone solutions are predicted with the LIFAC model and its original interaction parameters. The average absolute deviations of the calculated values from the experimental data and mean relative deviations for this system were 0.0742 and 0.7349, respectively .The results show that the LIFAC model can be used to predict solid-liquid equilibrium of Acetone + water + Lithium Bromide.

scholarly journals An algorithm for the regression of the UNIQUAC interaction parameters in liquid–liquid equilibrium for single- and multi-temperature experimental data

2014 ◽  
Vol 374 ◽  
pp. 79-85 ◽  
Author(s):  
Giulio Santori ◽  
Matteo Franciolini ◽  
Giovanni Di Nicola ◽  
Fabio Polonara ◽  
Stefano Brandani ◽  
...  
Keyword(s):  
Experimental Data ◽  
Interaction Parameters ◽  
Liquid Equilibrium

Properties of Refrigerants from Cubic Equations of State

2008 ◽  
Vol 59 (5) ◽  
Author(s):  
Viorel Feroiu ◽  
Dan Geana ◽  
Catinca Secuianu
Keyword(s):  
Experimental Data ◽  
Vapor Pressure ◽  
Equations Of State ◽  
Ternary Mixtures ◽  
Volumetric Properties ◽  
Mixing Rules ◽  
Saturation Curve ◽  
Equilibrium Thermodynamic ◽  
Liquid Equilibrium ◽  
Binary And Ternary Mixtures

Vapour � liquid equilibrium, thermodynamic and volumetric properties were predicted for three pure hydrofluorocarbons: difluoromethane (R32), pentafluoroethane (R125) and 1,1,1,2 � tetrafluoroethane (R134a) as well as for binary and ternary mixtures of these refrigerants. Three cubic equations of state GEOS3C, SRK (Soave � Redlich � Kwong) and PR (Peng � Robinson) were used. A wide comparison with literature experimental data was made. For the refrigerant mixtures, classical van der Waals mixing rules without interaction parameters were used. The GEOS3C equation, with three parameters estimated by matching several points on the saturation curve (vapor pressure and corresponding liquid volumes), compares favorably to other equations in literature, being simple enough for applications.

Vapour-Liquid Equilibria and Excess Thermodynamic Properties in Binary Systems of Cyclopentanone + Chloroalkanes in View of the Disquac and Unifac Group Contribution Models Extention

2008 ◽  
Vol 59 (5) ◽  
Author(s):  
Alexandru Birhala ◽  
Dana Dragoescu ◽  
Mariana Teodorescu
Keyword(s):  
Binary Systems ◽  
Excess Enthalpy ◽  
Group Contribution ◽  
Excess Properties ◽  
Structural Effects ◽  
Liquid Equilibrium ◽  
Excess Thermodynamic Properties ◽  
Different Types ◽  
Thermodynamic Excess Properties ◽  
Thermodynamic Excess

The data available in the literature and our recent data on vapour�liquid equilibrium (VLE), excess Gibbs energy, GE, and excess enthalpy, HE, for the homologous series of cyclopentanone + chloroalkane mixtures are examined in terms of the predictive group contribution models DISQUAC and UNIFAC. In our treatment, we present also how the structural effects and different types of molecular interactions are reflected by the thermodynamic excess properties of the mentioned series mixtures.

Vapour-liquid equilibrium in the isobutyl formate-isobutyl alcohol and n-butyl formate-isobutyl alcohol systems at atmospheric pressure

1979 ◽  
Vol 44 (12) ◽  
pp. 3501-3508 ◽  
Author(s):  
Jan Linek
Keyword(s):  
Experimental Data ◽  
Fourth Order ◽  
Atmospheric Pressure ◽  
Isobutyl Alcohol ◽  
Liquid Equilibrium ◽  
The Third

Isobaric vapour-liquid equilibria in the isobutyl formate-isobutyl alcohol and n-butyl formate-isobutyl alcohol systems have been measured at atmospheric pressure. A modified circulation still of the Gillespie type has been used for the measurements. The experimental data have been correlated by means of the third- and fourth-order Margules equations.

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