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

Reddy, T. Ashok; Garlapati, Chandrasekhar

doi:10.1002/ceat.201900283

Cited by 43 publications

(37 citation statements)

References 65 publications

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“…R 2 , SSE , and RMSE . There are more than 25 models available in literature [ 29 ] for correlating solubility of solids in supercritical fluids. However, for comparison purposes, we have considered Chrastil model, Adachi and Lu model, Mitra—Wilson model, Keshmiri et al model, Khansary et al model, Garlapati and Madras model, Reddy et al, model, and one existing three parameters solid–liquid equilibrium model.…”

Section: Resultsmentioning

confidence: 99%

“…The R 2 , Adj. R 2 , SSE, and RMSE are evaluated using the following formulas [29] AARD/(%) = 100 N i Statistical comparison of models is essential to ensure the success of the new model. In order to this achieve this, the well-known Akaike's Information Criterion (AIC) proposed by Akaike [30,31] has been used.…”

Section: Methodsmentioning

confidence: 99%

“…Reddy et al (2018) [ 15 ] proposed an empirical model based on degrees of freedom analysis as:

where

and

are reduced pressure of carbon dioxide (

and reduced temperature of carbon dioxide (

, respectively. The

are model constants.…”

Section: Existing Solubility Modelsmentioning

confidence: 99%

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Solubility of Anthraquinone Derivatives in Supercritical Carbon Dioxide: New Correlations

Alwi

Garlapati²,

Tamura

2021

Molecules

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Solubility of several anthraquinone derivatives in supercritical carbon dioxide was readily available in the literature, but correcting ability of the existing models was poor. Therefore, in this work, two new models have been developed for better correlation based on solid–liquid phase equilibria. The new model has five adjustable parameters correlating the solubility isotherms as a function of temperature. The accuracy of the proposed models was evaluated by correlating 25 binary systems. The proposed models observed provide the best overall correlations. The overall deviation between the experimental and the correlated results was less than 11.46% in averaged absolute relative deviation (AARD). Moreover, exiting solubility models were also evaluated for all the compounds for the comparison purpose.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Solubility of Anthraquinone Derivatives in Supercritical Carbon Dioxide: New Correlations

Alwi

Garlapati²,

Tamura

2021

Molecules

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“…The solubility is one of the basic information that is essential for the design and development of SFT. Drug particle micronization requires exact solubility information and in literature solubility of many drug solids in the ScCO2 is readily available, however, the solubility of clemastine fumarate is not reported 8,9 , therefore for the first time the solubility of clemastine fumarate in ScCO2 is reported in this work. We believe that this study may be useful in particle micronization using ScCO2.…”

Section: Introductionmentioning

confidence: 99%

Measurement and Modeling of Clemastine Fumarate (Antihistamine Drug) Solubility in Supercritical Carbon Dioxide

Sodeifian

Garlapati²,

Razmimanesh

et al. 2021

Preprint

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The solubilities of clemastine fumarate in supercritical carbon dioxide) ScCO2( were measured for the first time at temperature (308 to 338 K) and pressure (12 to 27 MPa). The measured solubilities were reported in terms of mole faction and it is ranged from 1.61 ×10− 6 to 9.41×10− 6. Various models were used to correlate the data. The efficacy of the models was quantified with corrected Akaike’s information criterion (AICc). A new cluster salvation model was derived to correlate the solubility data. The new model was able to correlate the data and deviation was 10.3% in terms of average absolute relative deviation (AARD). Furthermore, the measured solubilities were also correlated with existing K.-W. Chen et al., cluster salvation model, equation of state (EoS) model and few density models. Among density models, Tippana and Garlapati model was observed to be the best model and corresponding AARD% was 7.57 (corresponding AICc is -678.88). The Peng-Robinson equation of state as temperature independent was able to correlate the data and deviation was 8.25% in terms of AARD% (corresponding AICc is -674.88). Moreover, thermodynamic enthalpies of clemastine fumarate were estimated.

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“…These parameters are, however, unavailable and thus must be estimated by the group contribution techniques leading to attenuated accuracy. To overcome this drawback, several researchers have developed different empirical and semiempirical models to correlate the solubility data [45][46][47][48][49][50][51][52] .…”

mentioning

confidence: 99%

Solubility of the Ketoconazole (an Antifungal Drug) in Supercritical Carbon Dioxide and Menthol as a Cosolvent (Ternary System): Experimental Data and Empirical Correlations

Sodeifian¹,

Sajadian²,

Razmimanesh³

et al. 2021

Preprint

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One of the main steps in choosing the drug nanoparticle production processes by supercritical carbon dioxide (SC-CO2) is determining the solubility of the solid solute. For this purpose, the solubility of Ketoconazole (KTZ) in the SC-CO2, binary system, as well as in the SC-CO2-menthol (cosolvent), ternary system, was measured at 308–338 K and 12–30 MPa using the static analysis method. The KTZ solubility in the SC-CO2 ranged between 1.70×10− 6 and 8.02×10− 4, while drug solubility in the SC-CO2 with cosolvent varied from 2.7×10− 5 to 1.96×10− 4. This difference indicated the significant effect of menthol cosolvent on KTZ solubility in the SC-CO2. Moreover, KTZ solubilities in the two systems were correlated by several empirical and semiempirical models. Among them, Sodeifian et al., Bian et al., MST, and Bartle et al. models can more accurately correlate experimental data for the binary system than other used models. Also, the Sodeifian and Sajadian model well fitted the solubility data of the ternary system with AARD,%= 6.45, Radj= 0.995.

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

Cited by 43 publications

References 65 publications

Solubility of Anthraquinone Derivatives in Supercritical Carbon Dioxide: New Correlations

Solubility of Anthraquinone Derivatives in Supercritical Carbon Dioxide: New Correlations

Measurement and Modeling of Clemastine Fumarate (Antihistamine Drug) Solubility in Supercritical Carbon Dioxide

Solubility of the Ketoconazole (an Antifungal Drug) in Supercritical Carbon Dioxide and Menthol as a Cosolvent (Ternary System): Experimental Data and Empirical Correlations

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