Representing solute solubility in supercritical carbon dioxide: A novel empirical model

Khansary, Milad Asgarpour; Amiri, Farshad; Hosseini, Ashkan; Sani, Ahmad Hallaji; Shahbeig, Hossein

doi:10.1016/j.cherd.2014.05.004

Cited by 63 publications

(17 citation statements)

References 83 publications

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“…The order of the best performing models for correlating the solubility of the four compounds can change slightly from binary to binary. However, it is demonstrated that overall the more recent models perform better, namely the Garlapati and Madras [38] and Khansary et al [9] equations are at the top of the list. Probably, their success is due in part to the fact that both equations have five adjustable parameters which improves their flexibility.…”

Section: Solubility Correlations Applying Semi-empirical Density Basementioning

confidence: 99%

“…The density-based models applied in this study are summarized in Table 3, where a 0, ..., a 2 , b, …, b 2 , c, … ,c 2 , d, …, d 2, e, …, e 2, f, …, f 4 , and g, …, g 5 are adjustable parameters for the Chrastil [10], Kumar and Johnston [35], Bartle et al [36], Méndez-Santiago and Teja [37], Garlapati and Madras [38], Nejad [39] and Khansary et al [9] equations, respectively.…”

Section: Semi-empirical Modelsmentioning

confidence: 99%

“…Chrastil [10] Kumar and Johnston [35] Bartle et al [36] Mendez-Santiago and Teja [37] Garlapati and Madras [38] Nejad et al [39] Khansary et al [9] 4. RESULTS AND DISCUSSION…”

Section: Semi-empirical Modelsmentioning

confidence: 99%

“…Also, the equation of Méndez-Santiago and Teja [37], which is based on the theory of dilute solutions, was the first one to consider the effects of pressure directly and, hence, is widely applied to test the consistency of solubility data measured. Finally, the last three equations considered, namely [9,38,39], are more recent additions to the family of density-based models.…”

Section: Semi-empirical Modelsmentioning

confidence: 99%

“…Some of them, e.g. Chrastil model [10], are very well-established and widely used, while others like Khansary et al model [9] are advocated quite recently.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Semi-Empirical Models and Cubic Equations of State for Correlation of Solids Solubility in scCO2: From Simple to Complex Substances

Coelho¹,

Filipe²,

Palavra³

et al. 2016

TOCENGJ

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Abstract:The present paper examines the performance of cubic equations of state (CEoSs) and semi-empirical density-based models in correlating the solubility in supercritical carbon dioxide (scCO 2 ) of several solid compounds of interest to the food industry, namely 2-propenamide, bixin, β-carotene and C-tetramethylcalix The results obtained reveal that the more recently advocated density-based models (Garlapati and Madras, Nejad et al. and Khansary et al. models) perform better than the other models with overall average absolute deviations, AARD %, of 6.3, 7.8 and 7.2 %, respectively. The 9.1% overall AARD for the SRK CEoS was considered satisfactory since it can be used as a reliable thermodynamic model to predict the solubility of any compound for which there are no sufficient experimental data available.

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Section: Solubility Correlations Applying Semi-empirical Density Basementioning

confidence: 99%

Section: Semi-empirical Modelsmentioning

confidence: 99%

“…Chrastil [10] Kumar and Johnston [35] Bartle et al [36] Mendez-Santiago and Teja [37] Garlapati and Madras [38] Nejad et al [39] Khansary et al [9] 4. RESULTS AND DISCUSSION…”

Section: Semi-empirical Modelsmentioning

confidence: 99%

Section: Semi-empirical Modelsmentioning

confidence: 99%

“…Some of them, e.g. Chrastil model [10], are very well-established and widely used, while others like Khansary et al model [9] are advocated quite recently.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Semi-Empirical Models and Cubic Equations of State for Correlation of Solids Solubility in scCO2: From Simple to Complex Substances

Coelho¹,

Filipe²,

Palavra³

et al. 2016

TOCENGJ

View full text Add to dashboard Cite

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Solubility, Extraction, and Nanoparticles Production in Supercritical Carbon Dioxide: A Mini‐Review

Sodeifian

Usefi

2022

ChemBioEng Reviews

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Supercritical carbon dioxide (SC‐CO2) is CO2 that is stored beyond its critical point of 7.4 MPa and 31.1 °C. Given the request for consumption of a green solvent for the environment, SC‐CO2 is widely utilized in chemical, food, and pharmaceutical industries. To design material and drug production processes using supercritical fluid (SCF) technology, knowledge of their solubility is important. Temperature and pressure are the main factors in the study of solubility. Solubility data are then evaluated using equation of state, semi‐empirical, and intelligence models to establish suitable correlations. SC‐CO2 is one of the most important materials used in SCFs to study solubility. Another application of SC‐CO2 is in the field of material extraction to reduce the consumption of organic solvents. Nanoparticles production in drug industry is another advantage of SC‐CO2. Micro and nanoparticles can be produced using SCF techniques. In this review, the applications of SC‐CO2 in drug solubility, extraction of valuable materials, and nanoparticles production for pharmaceutical processes are reported and discussed. Finally, the main challenges are explained.

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Dimensionless Empirical Model to Correlate Pharmaceutical Compound Solubility in Supercritical Carbon Dioxide

Reddy

Garlapati

2019

Chem Eng & Technol

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The accurate experimental determination of pharmaceutical compound solubilities at various temperature and pressure ranges in supercritical carbon dioxide (ScCO2) is a challenging and time‐consuming task. Therefore, prediction or correlations of solute solubilities are essential for implementation of ScCO2 technologies to pharmaceutical industries. Solubilities of 41 pharmaceutical compounds in ScCO2 are correlated by an empirical model, which is developed based on the degree of freedom analysis. Its correlating ability is compared with existing solubility models elaborated by other authors and evaluated in terms of global mean absolute relative deviation, sum of squares due to error, root mean square deviation, R2, and Adj. R2. The proposed model is found to correlate better than existing models.

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Representing solute solubility in supercritical carbon dioxide: A novel empirical model

Cited by 63 publications

References 83 publications

Semi-Empirical Models and Cubic Equations of State for Correlation of Solids Solubility in scCO2: From Simple to Complex Substances

Semi-Empirical Models and Cubic Equations of State for Correlation of Solids Solubility in scCO2: From Simple to Complex Substances

Solubility, Extraction, and Nanoparticles Production in Supercritical Carbon Dioxide: A Mini‐Review

Dimensionless Empirical Model to Correlate Pharmaceutical Compound Solubility in Supercritical Carbon Dioxide

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