Solubility measurement of an antihistamine drug (Loratadine) in supercritical carbon dioxide: Assessment of qCPA and PCP-SAFT equations of state

Garlapati

et al. 2021

Sci Rep

Self Cite

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 (mol/mol total) and it had a range 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., model, equation of state model and a few other density models. Among density models, Reddy and Garlapati model was observed to be the best model and corresponding AARD was 7.57% (corresponding AICc was − 678.88). The temperature independent Peng–Robinson equation of state was able to correlate the data and AARD was 8.25% (corresponding AICc was − 674.88). Thermodynamic parameters like heats of reaction, sublimation and solvation of clemastine fumarate were calculated and reported.

Section: Methodsmentioning

confidence: 99%

Measurement and modeling of clemastine fumarate (antihistamine drug) solubility in supercritical carbon dioxide

Garlapati

et al. 2021

Sci Rep

Self Cite

“…Figure 2 shows the line diagram of the equipment used in the study. More details about the solubility measuring device have been presented in our earlier studies [12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30] . However, a brief outline of the same is presented in this section.…”

Section: Experiments Detailsmentioning

confidence: 99%

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

Garlapati²,

et al. 2021

Preprint

Self Cite

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.

“…Additionally, CO 2 is non-toxic, non-flammable, cost-effective, abundant at high levels of purity, and environmentally-friendly with comparatively lower critical pressures and temperatures (7.38 MPa & 304.1 K) 22 – 27 . Several models have been applied to correlate and predict solids solubility at supercritical conditions, among which empirical and semiempirical methods 28 – 34 , equations of state (EoS) (including cubic and non-cubic models) 35 – 43 , expanded liquid model 44 , intelligent computational techniques (e.g. artificial neural networks (ANN) and least square support vector machine (LS-SVM) networks), and combination of grey wolf optimizer and support vector machines (GWO-SVM) networks 27 , 45 can be mentioned.…”

Section: Introductionmentioning

confidence: 99%

Solubility of Ketoconazole (antifungal drug) in SC-CO2 for binary and ternary systems: measurements and empirical correlations

Sajadian

et al. 2021

Sci Rep

Self Cite

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 0.20 × 10–6 and 8.02 × 10–5, while drug solubility in the SC-CO2 with cosolvent varied from 1.2 × 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.