Simultaneous correlation of liquid-liquid equilibria for ternary systems and phase equilibria for constituent binary systems by modified new activity coefficient model

Iwai, Yoshio; Koji, Matsubara

doi:10.1016/j.fluid.2022.113411

Cited by 4 publications

(3 citation statements)

References 54 publications

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“…As the coe cient models have evolved, there has been great progress in the scope of application and calculation accuracy. Iwai et al conducted research on simultaneous correlation of liquid-liquid equilibria of ternary systems and phase equilibria of constituent binary systems using an improved new activity coe cient model [19]. Noumir et al conducted research on isobaric vapor-liquid equilibrium data modeling of ternary systems containing ionic liquids [20].…”

Section: Introductionmentioning

confidence: 99%

Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction

Liu

Zhang

Zhou

et al. 2022

Journal of Chemistry

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The modeling of phase equilibrium for electrolyte solutions plays an important role in chemical thermodynamics. Modeling and calculation of the vapor-liquid equilibrium (VLE) for an electrolyte solution are studied in this paper. The influence mechanism for the microscopic interaction on the macroscopic VLE is further studied by COSMOtherm. Then, a developed model is proposed. The interaction parameters in the model are linked to the COSMO interaction energy (H_int). The interaction equations are remodeled using 1stopt software, and components are used to replace the “interaction parameters” used in a previous model. The developed model can be used to successfully predict VLE data for electrolyte solutions based on the α and hi parameters.

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Section: Introductionmentioning

confidence: 99%

Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction

Liu

Zhang

Zhou

et al. 2022

Journal of Chemistry

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“…The UNIQUAC model has been widely used in vapor–liquid equilibrium, liquid–liquid equilibrium, and solid–liquid equilibrium . This work adopts the modified UNIQUAC to calculate the solubility data .…”

Section: Solid–liquid Equilibrium Modelsmentioning

confidence: 99%

Solubility Measurement of Cholesterol in Several Solvents from 283.2 to 323.2 K

Zhou

Wang

et al. 2023

J. Chem. Eng. Data

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The solubilities of cholesterol in methanol, anisole, acetic acid, ethyl acetate, heptane, methyl isobutyl ketone (MIBK), and mixed solvent (ethanol−MIBK) are determined in the temperature range of 283.2 to 318.2 K. The experimental solubilities of cholesterol in pure solvents and binary mixed solvents are found to increase with increasing temperature. In the binary mixed solvent (ethanol−MIBK), the cholesterol solubilities with increasing mass fraction of ethanol first increase and then decrease. The maximum cholesterol solubility can be obtained when the mass fraction of ethanol is approximately 10%. The solubilities of cholesterol in MIBK, ethyl acetate, and anisole are larger than those in methanol, heptane, and acetic acid. The experimental solubilities are correlated with the van′t Hoff, modified Apelblat, Yaws, van't Hoff−Jouyban−Acree, and modified UNIQUAC models. The modified UNIQUAC model shows a better fitting result. The modified UNIQUAC model shows an average relative error (ARD) of less than 9%. The ARD values for the other models are all less than 12%.

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“…From the study of liquid-liquid equilibria at the industrial operation temperatures, we could obtain the equilibrium relationship between the concentrations of the top phase and bottom one, which is very important for the separation and application of the ATPS [7]. The process of ATPS separation is essentially the two-phase equilibrium process formed by several components.…”

Section: Introductionmentioning

confidence: 99%

Equilibrium Data and Correlation with Redefined NRTL Equation of Aqueous Two-phase Systems Based on 1,4-Bis-(2-hydroxyethyl)-piperazine and Na<sub>2</sub>SO<sub>4</sub>

Wang

ZHENG

et al. 2023

SERDJ

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Aqueous two-phase system (ATPS) is considered a new method to remove heat stable salts (HSS) from flue gas desulfurizer 1,4-bis-(2-hydroxyethyl)-piperazine (BHEP). In this work, the liquid-liquid phase equilibrium data of BHEP-Na 2 SO 4 ATPS in 303.15 -323.15 K were measured and correlated by NRTL equation with the redefined adjustable characteristic constant at different concentrations. It is revealed that the redefined NRTL equation correlate to the phase equilibrium data of the ternary two-phase system well within the experimental temperature range. The root-mean-square deviations (RMSD) and the average absolute deviations (AAD) of the calculated value and experimental value are less than 1.9% and 1.5% respectively. The binary interaction parameters of NRTL equation have minor changes, ranging from -68 -75. Thereby, the parameters of redefined NRTL equation are consistent with the actual calculation and engineering application requirements.

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Simultaneous correlation of liquid-liquid equilibria for ternary systems and phase equilibria for constituent binary systems by modified new activity coefficient model

Cited by 4 publications

References 54 publications

Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction

Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction

Solubility Measurement of Cholesterol in Several Solvents from 283.2 to 323.2 K

Equilibrium Data and Correlation with Redefined NRTL Equation of Aqueous Two-phase Systems Based on 1,4-Bis-(2-hydroxyethyl)-piperazine and Na<sub>2</sub>SO<sub>4</sub>

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