Determination of Abraham Model Correlations for Solute Transfer into Propyl Acetate Based on Experimental Activity Coefficient and Solubility Data

Sedov, Igor A.; Salikov, Timur M.; Khaibrakhmanova, Diliara; Wadawadigi, Anisha; Zha, Olivia; Qian, Ellen; Hart, Erin; Barrera, Maribel; Acree, William E.; Abraham, Michael H.

doi:10.1007/s10953-018-0743-y

Cited by 22 publications

(6 citation statements)

References 70 publications

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“…Besides, the solubilities of 3,5-dinitrobenzoic acid in this work and in the related literature , are compared. The deviations of solubility can be expressed as the following equation: where x 1 and x 2 are solubilities of this work and reference, respectively, and d represents the deviation.…”

Section: Results and Analysismentioning

confidence: 99%

“…Besides, the solubilities of 3,5-dinitrobenzoic acid in this work and in the related literature 7,8 are compared. The deviations of solubility can be expressed as the following equation:…”

Section: Thermodynamic Properties Of Mixingmentioning

confidence: 99%

“…So the systematic solubility of 3,5-dinitrobenzoic acid in common solvents is required to choose suitable solvents in the process of the crystallization . However, only its solubility data in acetone and in other solvents at 298.15 K can be found in previous reports; therefore, its solubility data in other solvents with a wider temperature range need to be supplemented urgently. − So, the research of solubility and thermodynamic properties of 3,5-dinitrobenzoic acid in different kinds of solvents is profitable since it will provide useful data for other researchers to conduct related studies on it.…”

Section: Introductionmentioning

confidence: 99%

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Solubility Measurement, Thermodynamic Correlation, and Comprehensive Analysis of 3,5-Dinitrobenzoic Acid in 13 Pure Solvents

et al. 2022

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The solubility of 3,5-dinitrobenzoic acid in 13 solvents (methanol, ethanol, n-propanol, i-propanol, n-butanol, 2-butanol, i-butanol, n-pentanol, methyl acetate, ethyl acetate, n-propyl acetate, n-butyl acetate, and acetonitrile) was tested by gravimetry from 283.15 to 323.15 K under atmospheric pressure. The results showed that the solubility of 3,5-dinitrobenzoic acid increased with the increasing temperature in all pure solvents. Besides, the experimental solubility results of 3,5-dinitrobenzoic acid was fitted with thermodynamic equations like modified Apelblat equation, van’t Hoff equation, λh equation and the nonrandom two liquid equation. The results of average relative deviation, root-mean-square deviation, and coefficient of determination showed that the modified Apelblat equation correlates best of all models. Moreover, solvent effects and density functional theory (DFT) were introduced to demonstrate the dissolution properties of 3,5-dinitrobenzoic acid in the above solvents. At last, the dissolution process of 3,5-dinitrobenzoic acid in selected solvents was spontaneous according to the results of the mixing Gibbs free energy change (Δmix G).

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Section: Results and Analysismentioning

confidence: 99%

“…Besides, the solubilities of 3,5-dinitrobenzoic acid in this work and in the related literature 7,8 are compared. The deviations of solubility can be expressed as the following equation:…”

Section: Thermodynamic Properties Of Mixingmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Solubility Measurement, Thermodynamic Correlation, and Comprehensive Analysis of 3,5-Dinitrobenzoic Acid in 13 Pure Solvents

et al. 2022

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“…Additional tables and figures are provided in the supplementary information, with corresponding literature sources given in references [103,92,104,105,106,107,108,109,110,94,111,78,79,112,93,81,80,113,82,114,115,116,83,89,117,16,5,118].…”

Section: Supplementary Informationmentioning

confidence: 99%

Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubility prediction and experimental measurement

Febra

Bernet

Mack

et al. 2021

Fluid Phase Equilibria

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“…This necessitates the adoption of suitable separation techniques, including extraction, crystallization, and column chromatography, to obtain high-quality 4-MBA. Notably, crystallization purification stands out for its environmentally friendly, convenient, and highly efficient attributes, making it a method of choice for the purification and separation of chemical pharmaceuticals and specialty fine chemicals. − Therefore, it becomes imperative to ascertain the thermodynamic parameters governing the solubility of 4-MBA in a diverse array of solvents, considering that the choice of crystallization solvent significantly influences its crystallization behavior, thereby requiring an expansive solvent selection and an augmentation of thermodynamic databases. ,− …”

Section: Introductionmentioning

confidence: 99%

Solubility Determination and Data Correlation of 4-Methoxybenzoic Acid in 14 Pure Solvents at Temperatures from 283.15 to 328.15 K

Han,

Li,

Tao

et al. 2024

J. Chem. Eng. Data

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The solubility of 4-methoxybenzoic acid in 14 pure solvents (1-butanol, isobutanol, 2-butanol, 1-pentanol, ethylene glycol, ethyl formate, 1-propyl acetate, isopropyl acetate, n-butyl acetate, acetone, 2-butanone, cyclohexanone, toluene, and tetrahydrofuran) was determined through a gravimetric method at temperatures from 283.15 to 328.15 K. The experimental solubility showed an increasing trend with increasing temperature. Four thermodynamic models, including Modified Apelblat model, NRTL model, Van't Hoff model, and λh model, were selected to correlate the experimental solubility of 4-methoxybenzoic acid and further fit data. The results revealed that the calculated solubility from four models was in good correlation with the experimental data, with the Modified Apelblat equation providing the best fitting accuracy. Furthermore, the mixing thermodynamic properties of 4-methoxybenzoic acid in 14 pure solvents derived from the NRTL equation indicated that the mixing processes of 4-methoxybenzoic acid are spontaneous and entropy driven. In addition, the solvent properties were investigated to elucidate the solid−liquid equilibrium behavior of 4-methoxybenzoic acid in pure solvents.

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Determination of Abraham Model Correlations for Solute Transfer into Propyl Acetate Based on Experimental Activity Coefficient and Solubility Data

Cited by 22 publications

References 70 publications

Solubility Measurement, Thermodynamic Correlation, and Comprehensive Analysis of 3,5-Dinitrobenzoic Acid in 13 Pure Solvents

Solubility Measurement, Thermodynamic Correlation, and Comprehensive Analysis of 3,5-Dinitrobenzoic Acid in 13 Pure Solvents

Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubility prediction and experimental measurement

Solubility Determination and Data Correlation of 4-Methoxybenzoic Acid in 14 Pure Solvents at Temperatures from 283.15 to 328.15 K

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