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

2021 ◽  
Author(s):  
Gholamhossein Sodeifian ◽  
Chandrasekhar Garlapati ◽  
Fariba Razmimanesh ◽  
Marziehsadat Ghanaat-Ghamsari
Keyword(s):  
Carbon Dioxide ◽  
Equation Of State ◽  
Supercritical Carbon Dioxide ◽  
Information Criterion ◽  
Drug Solubility ◽  
Relative Deviation ◽  
Antihistamine Drug ◽  
First Time ◽  
Robinson Equation ◽  
Supercritical Carbon

Abstract 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.

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

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Gholamhossein Sodeifian ◽  
Chandrasekhar Garlapati ◽  
Fariba Razmimanesh ◽  
Marziehsadat Ghanaat-Ghamsari
Keyword(s):  
Carbon Dioxide ◽  
Equation Of State ◽  
Supercritical Carbon Dioxide ◽  
Information Criterion ◽  
Drug Solubility ◽  
Heats Of Reaction ◽  
Antihistamine Drug ◽  
First Time ◽  
Robinson Equation ◽  
Supercritical Carbon

AbstractThe 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.

scholarly journals Solubility of Acetophenone in Supercritical Carbon Dioxide

2016 ◽  
Vol 10 (1) ◽  
pp. 18-28 ◽  
Author(s):  
Maria Y. Dwi ◽  
Jessica Julian ◽  
Jindrayani N. Putro ◽  
Adi T. Nugraha ◽  
Yi-Hsu Ju ◽  
...  
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Equation Of State ◽  
Supercritical Carbon Dioxide ◽  
Static Method ◽  
Solubility Data ◽  
Experimental Solubility Data ◽  
Experimental Solubility ◽  
Robinson Equation ◽  
Supercritical Carbon

The solubility data of acetophenone in supercritical carbon dioxide (scCO2) were measured using a static method at several temperatures (313.15, 323.15, 333.15, and 343.15K) and pressures ranging from10 MPa to 28 MPa. The density based models (Chrastil and Del valle– Aguilera models) and the Peng-Robinson equation of state (PR-EOS) with quadratic and Stryjek-Vera combining rules were employed to correlate the experimental data. Good correlations between the calculated and experimental solubility data were obtained. The sum of squared errors (SSE) are 0.38 % and 0.37 % for Chrastil and Del Valle – Aguilera models, respectively; and 9.07 % for Peng-Robinson equation of state with quadratic combining rule and 4.00 % for Peng-Robinson equation of state with Stryjek-Vera combining rule.

scholarly journals Solubility of Anthraquinone Derivatives in Supercritical Carbon Dioxide: New Correlations

Molecules ◽  
2021 ◽  
Vol 26 (2) ◽  
pp. 460
Author(s):  
Ratna Surya Alwi ◽  
Chandrasekhar Garlapati ◽  
Kazuhiro Tamura
Keyword(s):  
Carbon Dioxide ◽  
Liquid Phase ◽  
Supercritical Carbon Dioxide ◽  
Binary Systems ◽  
Relative Deviation ◽  
Anthraquinone Derivatives ◽  
New Models ◽  
Solubility Isotherms ◽  
Solid Liquid ◽  
Supercritical Carbon

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.

scholarly journals Low-temperature and purification-free stereocontrolled ring-opening polymerisation of lactide in supercritical carbon dioxide

2020 ◽  
Vol 22 (7) ◽  
pp. 2197-2202 ◽  
Author(s):  
Simon P. Bassett ◽  
Andrew D. Russell ◽  
Paul McKeown ◽  
Isabel Robinson ◽  
Thomas R. Forder ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Low Temperature ◽  
Supercritical Carbon Dioxide ◽  
Ring Opening ◽  
Solvent Free ◽  
Free Ring ◽  
First Time ◽  
Supercritical Carbon

A stereoselective, solvent-free ring-opening polymerisation (ROP) of lactide (LA) in supercritical carbon dioxide (scCO2) is reported for the first time.

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

2021 ◽  
Author(s):  
Gholamhossein Sodeifian ◽  
Seyed Ali Sajadian ◽  
Fariba Razmimanesh ◽  
Seyed Mojtaba Hazaveie
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Binary System ◽  
Supercritical Carbon Dioxide ◽  
Ternary System ◽  
Drug Solubility ◽  
Analysis Method ◽  
Empirical Correlations ◽  
Semiempirical Models ◽  
Supercritical Carbon

Abstract 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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