Guidelines for the Analysis of Vapor–Liquid Equilibrium Data

Mathias, Paul M.

doi:10.1021/acs.jced.7b00582

Cited by 62 publications

(58 citation statements)

References 7 publications

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“…The deviation between our data and the mean of the literature data at the observed boiling temperature is less than ±0.2 K for all pressures, which is below the standard uncertainty specified above. As a further validation of the VLE data, as suggested by Mathias, 26 the relative volatility was evaluated, which is presented in the Supporting Information for 20 and 80 kPa.…”

Section: Methodsmentioning

confidence: 99%

Thermophysical Properties of Mixtures of Titanium(IV) Isopropoxide (TTIP) and p-Xylene

et al. 2020

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Titanium(IV) isopropoxide (TTIP) is an important precursor for the production of nanoparticles by spray flame processes. In these processes, the precursor is provided in a solution in a combustible solvent, which is p-xylene here. As no thermophysical data for solutions of TTIP in p-xylene were available in the literature, they were measured in the present work. The vapor-liquid equilibrium was measured at pressures ranging from 20 to 80 kPa. The specific density, viscosity, thermal conductivity, molar isobaric heat capacity, and self-diffusion coefficients were determined experimentally at 101.3 kPa at temperatures between 293.15 and 373.15 K. Sample compositions cover the range from pure TTIP to pure p-xylene. Chemical reactions in the studied system were considered. The experiments were carried out in a way that they do not compromise the results for the thermophysical properties. The vapor-liquid equilibrium data were correlated using the NRTL model. Empirical correlations were established for the other properties. The results provide a rational basis for spray flame process design.

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Section: Methodsmentioning

confidence: 99%

Thermophysical Properties of Mixtures of Titanium(IV) Isopropoxide (TTIP) and p-Xylene

et al. 2020

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“…Figures , , and show the results of regression for the Wilson model by the corresponding fitted curves obtained using the Britt–Luecke algorithm . As analysis of VLE data using relative volatilities enables improved data evaluation, Figure also indicates the ±5% deviation from the trend predicted by the Wilson model. Predictions by NRTL and UNIQUAC models are found to be close to the Wilson fit, and they are illustrated in Figures S.1–S.6 of the Supporting Information.…”

Section: Results and Discussionmentioning

confidence: 97%

“…Figures 3, 6, and 7 show the results of regression for the Wilson model by the corresponding fitted curves obtained using the Britt−Luecke algorithm. 16 As analysis of VLE data using relative volatilities enables improved data evaluation, 17 To compare the calculated values with the experimental data, average deviation (AD), maximum deviation (MD), rootmean-square deviation (RMSD), and average absolute deviation (AAD) for the liquid phase composition (x), vapor phase composition (y) of ACP, and the temperature (T) were calculated. 18 For the binary systems (ACP + PEA), the deviation parameters for the regression using NRTL, UNIQUAC, and Wilson models are presented in Table 5.…”

Section: Thermodynamic Correlationsmentioning

confidence: 99%

Vapor–Liquid Equilibrium Analysis for a Binary System of Acetophenone with 2-Phenylethanol

et al. 2020

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The isobaric binary vapor−liquid equilibrium (VLE) data for the mixture of acetophenone (ACP) and 2-phenylethanol (PEA) is generated at atmospheric and sub-atmospheric conditions in a modified Rose-type equilibrium still. Fredenslund test and Redlich−Kister area test methods were used to verify the consistency of the measured VLE experimental data. Furthermore, the measured experimental data is correlated by the non-random two-liquid (NRTL), universal quasi-chemical (UNIQUAC), and Wilson thermodynamic models, and the binary interaction parameters for the three models were estimated using a maximum likelihood objective function and Britt−Luecke algorithm. The estimation was found to be considerably good for all three activity coefficient models.

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“…According to the residuals of temperature and vapor mole fraction, the reliability of VLE data measured for each system has been checked (Orchillés et al, 2017;Mathias, 2017;Ma et al, 2018). Since the values of RMSD by the NRTL model were relatively larger than those of the Wilson and UNIQUAC models, the residuals of temperature and vapor mole fraction were calculated based on the difference between experimental values and the calculated values in the NRTL model.…”

Section: Vle Data Correlationmentioning

confidence: 99%

MEASUREMENTS AND THERMODYNAMIC MODELING OF VAPOR-LIQUID EQUILIBRIA FOR BINARY SYSTEMS OF ISOPROPYL CHLOROACETATE WITH CYCLOHEXANE, ISOPROPANOL AND BENZENE AT 101.3 kPa

Zhang

et al. 2019

Braz. J. Chem. Eng.

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In this work, the vapor-liquid equilibrium experimental data for the systems of isopropyl chloroacetate + isopropanol, isopropyl chloroacetate + cyclohexane and isopropyl chloroacetate + benzene were measured by a modified Rose-type recirculating still under the pressure of 101.3 kPa. The thermodynamic consistency of the measured data was verified by the Herington and van Ness methods, respectively. The experimental data were correlated by the NRTL, Wilson, and UNIQUAC activity coefficient models, and the corresponding interaction parameters of the three models were obtained. The root-mean-square deviations between the experimental data and calculated results for the temperature and the mole fraction of the vapor phase were less than 0.58 K and 0.0066, respectively. In addition, the excess Gibbs energy was calculated for the three systems.

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Guidelines for the Analysis of Vapor–Liquid Equilibrium Data

Cited by 62 publications

References 7 publications

Thermophysical Properties of Mixtures of Titanium(IV) Isopropoxide (TTIP) and p-Xylene

Thermophysical Properties of Mixtures of Titanium(IV) Isopropoxide (TTIP) and p-Xylene

Vapor–Liquid Equilibrium Analysis for a Binary System of Acetophenone with 2-Phenylethanol

MEASUREMENTS AND THERMODYNAMIC MODELING OF VAPOR-LIQUID EQUILIBRIA FOR BINARY SYSTEMS OF ISOPROPYL CHLOROACETATE WITH CYCLOHEXANE, ISOPROPANOL AND BENZENE AT 101.3 kPa

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