Phase Equilibria of {Carbon Dioxide + Acetone + Dimethyl Sulfoxide} Systems: Experimental Data and Thermodynamic Modeling

Bacicheti, Jacqueline M. Ortega; Oliveira, Jéssica A.; Barros, Thiago Vinícius; Ferreira-Pinto, Leandro; Arce, Pedro F.; Cabral, Vladimir Ferreira; Cardozo‐Filho, Lúcio

doi:10.1007/s10953-022-01196-6

Cited by 4 publications

(3 citation statements)

References 32 publications

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“…Then, the phase behavior of OXA was modeled by PC-SAFT. Since the pure component parameters of all solvents and the binary interaction parameters between solvents in this work were obtained from the literatures, − only the pure component parameters of OXA and the binary interaction parameters between OXA and the different solvents needed to be fitted. The PC-SAFT pure component parameters of the drug and binary interaction parameters between the drug and pure organic solvents in this work were regressed by the solubility data of OXA in pure organic solvents.…”

Section: Resultsmentioning

confidence: 99%

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Measurement and Thermodynamic Modeling of Oxaprozin Solubility in Polymers and Mixed Solutions

Wu,

Jiang,

Shen

et al. 2024

J. Chem. Eng. Data

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Measuring and modeling the solubility of drugs in different solvent systems is helpful to guide the selection of appropriate solvents at various stages of drug formulation development. In this work, the gravimetrical method was used to determine the solubility data of oxaprozin (OXA) in different compositions of water/organic solvents (methanol and ethanol) binary mixtures within the range of 293.15 to 333.15 K. Subsequently, the differential scanning calorimetry method was used to measure the solubility of the drug in polymers (Polyethylene Glycol 6000 and Polyvinylpyrrolidone K30) at above 400 K. Then, the solubility of OXA in ultrapure water and polymer aqueous solution was acquired by UV spectrophotometry or HPLC within a temperature range of 303.15 to 323.15 K. Finally, the experimental values were compared with the calculated values from the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) to investigate the prediction accuracy of this model in different complex mixed solvent systems. The average relative deviations (ARD) were used to evaluate the model performance of PC-SAFT. Furthermore, PC-SAFT combined with solid−liquid equilibrium theory not only modeled the phase behavior between pure or mixed solvents and drugs independent of the molecular weight of the solvent but also did not require any experimental data or model parameters from the ternary system to predict the phase behavior of OXA in binary solvents. The results of this work illustrate that PC-SAFT is a beneficial model in drug development.

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Section: Resultsmentioning

confidence: 99%

“…The association scheme of all solvents was the same as the scheme in the previous literatures. − In this work, the association scheme of the polymer was selected based on the characteristics of the chain segment and end group. Esters were considered as nonassociation molecules.…”

Section: Resultsmentioning

confidence: 99%

Measurement and Thermodynamic Modeling of Oxaprozin Solubility in Polymers and Mixed Solutions

Wu,

Jiang,

Shen

et al. 2024

J. Chem. Eng. Data

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“…Organic solvents have been used as extractants in industry, while some extractants such as ethylene glycol, glycerol, 1-hexanol, cyclohexanol, and dimethyl sulfoxide are commonly used in industry. , Wang et al used cyclohexanol as the extractant to separate the lowest boiling point azeotrope of methanol and methylal, measured the vapor–liquid equilibrium (VLE) data, and successfully used cyclohexanol to separate a methanol and methylal azeotrope system using simulation software. In order to separate the azeotropic system of water and dimethyl ether, Lin et al used extractants such as n -heptanol, isopropyl ether, 4-methyl-2-pentanol, and 1-hexanol.…”

Section: Introductionmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibrium of Ethyl Acetate + 1-Hexanol, Methanol + 1-Hexanol, and n-Heptane + Cyclohexanol Binary System at 101.3 kPa

Zhou,

Hu,

Qiu

et al. 2023

J. Chem. Eng. Data

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The fundamental component of the data used in chemical calculations is vapor−liquid equilibrium (VLE) information. The VLE data between several routinely used extractants and chemicals often utilized in industry still have some gaps, nevertheless. The isobaric phase equilibrium values of ethyl acetate + 1-hexanol, methanol + 1-hexanol, and n-heptane + cyclohexanol at 101.3 kPa were measured by using a modified Rose VLE still. The accuracy of experimental data was verified using two test techniques, the Van Ness and Fredenslund tests, and the final experimental data were highly correlated. The NRTL model, UNIQUAC model, and WILSON model were used to correlate the data, and binary interaction parameters between the components were derived. The three systems all meet the data requirements with respect to the root-mean-square deviation (RMSD) and average absolute deviation (AAD) of temperature being less than 0.1 and the RMSD and AAD of the vapor phase mole fraction being less than 0.01. The experimental and predicted values of all data points are in good agreement, and they all meet the requirements outlined in the process design. Additionally, it is discovered that the system under study behaves optimally throughout the whole research domain.

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Equilibria Data for the CO2 + Ethanol + Ketoprofen Systems – Experimental and Modeling

Mattos,

Molina,

Rodriguez-Reartes

et al. 2024

J Solution Chem

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Phase Equilibria of {Carbon Dioxide + Acetone + Dimethyl Sulfoxide} Systems: Experimental Data and Thermodynamic Modeling

Cited by 4 publications

References 32 publications

Measurement and Thermodynamic Modeling of Oxaprozin Solubility in Polymers and Mixed Solutions

Measurement and Thermodynamic Modeling of Oxaprozin Solubility in Polymers and Mixed Solutions

Isobaric Vapor–Liquid Equilibrium of Ethyl Acetate + 1-Hexanol, Methanol + 1-Hexanol, and n-Heptane + Cyclohexanol Binary System at 101.3 kPa

Equilibria Data for the CO2 + Ethanol + Ketoprofen Systems – Experimental and Modeling

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