Measurements and Modeling of VLE Data for Butyl Acetate with 2-Propanol or 2-Butanol. Binary Systems at 0.15 and 0.6 MPa (original) (raw)
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The Canadian Journal of Chemical Engineering, 1991
Vapor-liquid equilibrium data for the binary systems methyl butanoate/ethanol and methyl butanoateipropan-1-01 at pressures of 114.66 and 127.99 kPa are presented. Both mixtures yield an azeotrope, the compositions (ester) of which decrease quasi-linearly as the pressure increases. The experimental data for all the binary mixtures were fitted to a suitable equation and then used for comparison with predictions by ASOG and UNIFAC methods. These group contribution models give a good cstimation of activity coefficients with an overall mean error less than 5% for all cases.
The Journal of Chemical Thermodynamics, 2010
In this work, isobaric (vapour + liquid) equilibrium data have been determined at (53.3 and 91.3) kPa for the binary mixtures of (1-propanol + 1-butanol). The thermodynamic consistency of the experimental values was checked by means the traditional area test and the direct test methods. According to the criteria for the test methods, the (vapour + liquid) equilibrium results were found to be thermodynamically consistent. The experimental values obtained were correlated by using the van Laar, Margules, Wilson, NRTL, and UNIQUAC activity-coefficient models. The binary interaction parameters of the activity-coefficient models have been determined and reported. They have been compared with those calculated by the activity-coefficient models. The average absolute deviation in boiling point and vapour-phase composition were determined. The calculated maximum average absolute deviations were 0.86 K and 0.0151 for the boiling point and vapour-phase composition, respectively. Therefore, it was shown that the activity-coefficient models used satisfactorily correlate the (vapour + liquid) equilibrium results of the mixture studied. However, the performance of the UNIQUAC model was superior to all other models mentioned.
2015
The isobaric vapor-liquid equilibrium data predictions for the binary system of cyclopentyl methyl ether and cyclopentanol were obtained using UNIFAC and modified UNIFAC Dortmund method. Group identification was done by using artist free software with Dortmund Data Bank . The interaction parameters in the UNIFAC and modified UNIFAC Dortmund method, for the ether group (-CH3O) and alcohol (-OH), were used to predict VLE data. Thermodynamic consistency of the predicted VLE data had been checked by the Herington method. The predicted data were correlated with Van Laar, Wilson and NRTL activity coefficient models. The binary interaction parameters of models had been obtained by regression. The predicted VLE data of UNIFAC method were fitted much more accurately than that of modified UNIFAC Dortmund method by these activity coefficient models Van Laar, Wilson and NRTL.
Vapor–liquid equilibrium of the ethanol+3-methyl-1-butanol system at 50.66, 101.33 and 151.99kPa
Fluid Phase Equilibria, 2013
In this work, the isobaric vapor-liquid equilibrium (VLE) for the ethanol (1) + 3-methyl-1-butanol (2) system at three different pressures is reported. Measurements were done in a dynamic equilibrium cell (Fischer Labodest VLE 602) at 50.66, 101.33 and 151.99 kPa. The experimental data were tested for thermodynamic consistency with total area, point, Van Ness, and Herington tests. Herington test was slightly modified considering the H m / G E m relation. Data were correlated using the NRTL and UNIQUAC activity models. NTRL showed the lowest deviation with respect to the experimental data at the three operating pressures. Quality of regressed parameters for this system was tested comparing results with isothermal equilibrium data reported elsewhere.
Journal of Chemical & Engineering Data, 1996
Densities of 298.15 K and the vapor-liquid equilibria for 1-butanol + butyl methanoate, + butyl ethanoate, + butyl propanoate, and + butyl butanoate have been measured at 101.32 kPa in a small capacity ebulliometer. All results were found to be thermodynamically consistent with a point-to-point test. The mixtures containing butyl methanoate and butyl ethanoate show azeotropes at T) 379.14 K, x) 0.871 and T) 389.64 K, x) 0.222, respectively. Different group-contribution methods were applied to these mixtures.
2019
The isobaric vapor-liquid equilibrium (VLE) data for three binary systems of ethanol + 2-butanol, acetone + 2-butanol, and ethanol + acetone and for one ternary system of ethanol + acetone + 2-butanol were measured at atmospheric pressure. The VLE data were obtained in various compositions of the systems by using an ebulliometer. The system was heated until the equilibrium state was reached that indicated by steady temperature. The liquid samples for these systems were analyzed by using a Gas Chromatography to obtain the compositions of the liquid phase. The ebulliometer was validated by measuring the equilibrium temperatures of binary system of ethanol + water and comparing the result with literature data. All the experimental data were correlated using the Wilson, NRTL, and UNIQUAC models to get interaction parameters. The reliability of the models was tested by comparing the temperature result of correlation with that of experimental data in terms of Average Absolute Deviation (A...
Korean Journal of Chemical Engineering, 2017
Isobaric vapor-liquid equilibrium (VLE) data for binary mixtures of 2-propanone+2-butanol have been measured at 101.325 kPa. The measurements were in a modified recirculating type of Othmer equilibrium still. All the data passed the thermodynamics consistency test and no azeotropic behavior was exhibited. The experimental VLE data were correlated with the Wilson, non-random two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models. The correlation results showed that the experimental data were well correlated with those models. The experimental data also showed slight deviations from the predicted results using UNIFAC and modified UNIFAC (Dortmund) models. To gain more insight into the nature of interactions between 2-propanone molecule and alcohol, we analyzed the hydrogen-bonds, the electrostatic (Coulomb) interactions, and the van der Waals (Lennard-Jones) interaction energies extracted from MD simulations. In addition, the structural property of liquid phase was characterized through radial distribution function (RDF) to establish favorable interactions between 2-propanone and 2-butanol in the mixture.
Isobaric Vapor-Liquid Equilibrium for Binary System of Acetone + tert-Butanol at 101.325 kPa
Proceedings of the 5 th Postgraduate Colloquium for Environmental Research ( POCER 2019 ), 2019
Isobaric vapor-liquid equilibrium (VLE) data for binary mixtures of acetone + tert-butanol have been measured at 101.325 kPa. The isobaric VLE data were determined through the measurements of boiling point temperature by using modified Othmer recirculation still. No azeotropic behavior was exhibited in the investigated binary system. The experimental VLE data were correlated with the Wilson, non-random two-liquid (NRTL) and universal quasi- chemical (UNIQUAC) activity coefficient models. The correlation results showed that the experimental data were well correlated with those models. Keywords:
Journal of Chemical & Engineering Data, 2002
Isobaric vapor-liquid equilibrium has been experimentally studied for the binary mixtures 2-butanol + n-hexane and 2-butanol + 1-butylamine and for the ternary mixture 2-butanol + n-hexane + 1-butylamine at 101.3 kPa. The activity coefficients were found to be thermodynamically consistent, and they were satisfactorily correlated with the Margules, van Laar, Wilson, NRTL, and UNIQUAC equations. The activity coefficients were also compared with the results obtained from the application of the ASOG and modified UNIFAC group contribution methods. The boiling points of the solutions were correlated with compositions by the Wisniak-Tamir equations. The results obtained indicate that the binary system 2-butanol + n-hexane deviates positively from ideality, whereas 2-butanol + 1-butylamine deviates negatively from ideality. The ternary system deviates positively or negatively depending on the composition. Only the binary systems present azeotropy. Azeotropic behavior was not found in the ternary mixture.
Industrial & Engineering Chemistry Research, 2010
This work analyzes the utility of a new model to correlate thermodynamic properties of solutions, the foundations of which have been published in a previous study. The model is applied to a set of experimental data for several properties of binary systems of methanol with four butyl alkanoates (vapor-liquid equilibria at p) 141.32 kPa and excess enthalpies and volumes at 298.15 and 318.15 K). Vapor-liquid equilibrium data (VLE) indicate that the four binary systems deviate positively from Raoult's law and do not present azeotrope. Excess enthalpies (h E) are positive for the entire range of compositions and decrease regularly with increasing length of the ester chain, with (∂h E /∂T) p,x > 0. The excess volumes (V E) decrease regularly with the length of the acid chain; they are positive for the binary systems of methanol with butyl (methanoate, ethanoate, and propanoate) and become negative for the system with butyl butanoate, with (∂V E /∂T) p,x > 0. The new model can be used to obtain a satisfactory correlation for Gibbs function g E) g E (p, T, x i), and for its derivatives. Correlation procedures for the data are described for the stages (x, h E) f [x, g E (T)] for the isobaric data reported here and (x, V E) f [x, g E (p)] for isothermal data reported in the literature. The new method allows a better correlation than the one obtained with the classical models of Wilson, NRTL, and UNIQUAC. We also present a unique correlation of all the properties of the methanol + butyl ethanoate system in the form of an analytical expression (p, T, x, y)) 0 and conclude that, on the whole, its implementation can be considered an advance in the data treatment of the properties of liquid solutions.