Modeling of ionic liquid+polar solvent mixture molar volumes using a generalized volume translation on the Peng–Robinson equation of state

Sheikhi-Kouhsar, Mohammadreza; Bagheri, Hamidreza; Raeissi, Sona

doi:10.1016/j.fluid.2015.03.005

Cited by 34 publications

(3 citation statements)

References 45 publications

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“…Knowing the solubility of drugs in scCO 2 is crucial for evaluating the feasibility of separation methods based on supercritical fluids and determining the optimum operational conditions. − Many models have been reported to mathematically represent the solubility behavior. − In this study, various semiempirical models were used to correlate the experimental solubility of alprazolam in scCO 2 . In the case of the binary system (alprazolam/scCO 2 ), the following correlations were considered: where a 0 – a 2 are the adjustable parameters of correlations.…”

Section: Laboratory Sectionmentioning

confidence: 99%

Solubility Measurement and Correlation of Alprazolam in Carbon Dioxide with/without Ethanol at Temperatures from 308 to 338 K and Pressures from 120 to 300 bar

Sajadian,

Bagheri,

Gurikov

et al. 2024

J. Chem. Eng. Data

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This research investigated the solubility of alprazolam in supercritical carbon dioxide (scCO 2 ) with the addition of ethanol as a cosolvent. The solubility was examined at various pressures (ranging from 120 to 300 bar) and temperatures (ranging from 308 to 338 K). The solubility of alprazolam in scCO 2 ranged from 0.027 × 10 −4 to 0.632 × 10 −4 . When ethanol was used as a cosolvent, the solubility increased to a range of 0.157 × 10 −4 to 1.660 × 10 −4 (with 1 mol % ethanol) and 0.449 × 10 −4 to 3.167 × 10 −4 (with 3 mol % ethanol). Under the specified operating parameters, the highest solubility of alprazolam was achieved in the ternary system (with 3 mol % ethanol) at 120 bar and 338 K. This solubility was 16.63 times higher than when using pure scCO 2 under the same circumstances. Several semiempirical correlations were used to compute the solubility of alprazolam in supercritical carbon dioxide. These models yielded similar average absolute relative deviations ranging from 7.0 to 8.40%. The findings demonstrated the superiority of the Kumar−Johnston model in binary systems (with an average absolute relative deviation of 7.0%) and the Garlapati−Madras model in ternary systems (with an average absolute relative deviation of 6.19%) compared to alternative models.

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Section: Laboratory Sectionmentioning

confidence: 99%

Solubility Measurement and Correlation of Alprazolam in Carbon Dioxide with/without Ethanol at Temperatures from 308 to 338 K and Pressures from 120 to 300 bar

Sajadian,

Bagheri,

Gurikov

et al. 2024

J. Chem. Eng. Data

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“…The fugacity coefficient of the solute in supercritical phase is obtained by [14]: The coefficients a and b for mixtures, are obtained from the following mixing rules [13]:…”

Section: Appendix Dmentioning

confidence: 99%

“…is the molar volume and R is the universal gas constant. The pure component parameters a i and b i are given by the following equations[14]:…”

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confidence: 99%

Solubility of Ibuprofen in Conventional Solvents and Supercritical CO2: Evaluation of Ideal and Non-Ideal Models

Bagheri¹,

Ghader²,

Hatami³

2019

ChChT

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In this study solubility of racemic (R/S)(±)-ibuprofen in pure conventional solvents (n-heptane, toluene, benzene and ethanol) and supercritical carbon dioxide is predicted and the results are compared with experimental data. The results of the ideal solubility show great deviation from experimental points. However, it seems that liquid phase non-ideality is the main problem in the modeling of this system. To capture the non-ideality of the system UNIQUAC, UNIFAC, NRTL, Wilson, and regular-solution theory are used. The results prove that UNIQUAC is more appropriate than regular-solution theory and UNIFAC for calculation of racemic (R/S)(±)-ibuprofen solubility data. Also, the solubility of (R/S)(±)-ibuprofen in supercritical CO 2 (SC-CO 2) was investigated by using Peng-Robinson equation of state (PR EoS). The results of modeling are in good agreement with experimental data.

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Mathematical Modeling of Reactor for Water Remediation

Bagheri¹,

Mohebbi²,

Mirzaie³

et al. 2021

Applied Water Science

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Modeling of ionic liquid+polar solvent mixture molar volumes using a generalized volume translation on the Peng–Robinson equation of state

Cited by 34 publications

References 45 publications

Solubility Measurement and Correlation of Alprazolam in Carbon Dioxide with/without Ethanol at Temperatures from 308 to 338 K and Pressures from 120 to 300 bar

Solubility Measurement and Correlation of Alprazolam in Carbon Dioxide with/without Ethanol at Temperatures from 308 to 338 K and Pressures from 120 to 300 bar

Solubility of Ibuprofen in Conventional Solvents and Supercritical CO2: Evaluation of Ideal and Non-Ideal Models

Mathematical Modeling of Reactor for Water Remediation

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