Assessment of the liquid mixture density effect on the prediction of supercritical carbon dioxide volume expansion of organic solvents by Peng-Robinson equation of state

2016 ◽  
Vol 425 ◽  
pp. 196-205 ◽  
Author(s):  
Samuel G. Cardoso ◽  
Gloria M.N. Costa ◽  
Silvio A.B. Vieira de Melo
Keyword(s):  
Carbon Dioxide ◽  
Equation Of State ◽  
Supercritical Carbon Dioxide ◽  
Organic Solvents ◽  
Volume Expansion ◽  
Liquid Mixture ◽  
Density Effect ◽  
Mixture Density ◽  
Robinson Equation ◽  
Supercritical Carbon

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 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 Thermodynamic modeling of solid solubility in supercritical carbon dioxide: Comparison between mixing rules

2013 ◽  
Vol 19 (3) ◽  
pp. 389-398 ◽  
Author(s):  
Hadi Baseri ◽  
Ali Haghighi-Asl ◽  
Nader Lotfollahi
Keyword(s):  
Carbon Dioxide ◽  
Supercritical Carbon Dioxide ◽  
Thermodynamic Modeling ◽  
Pressure Range ◽  
The Other ◽  
Mixing Rules ◽  
Calculation Results ◽  
Temperature And Pressure ◽  
Robinson Equation ◽  
Supercritical Carbon

In this paper, Peng Robinson equation of state is used for thermodynamic modeling of the solubility of various solid components in the supercritical carbon dioxide. Moreover, the effects of three mixing rules of Van der Waals mixing rules, Panagiotopoulos and Reid mixing rules and modified Kwak and Mansoori mixing rules on the accuracy of calculation results were studied. Good correlations between calculated and experimental data were obtained in the wide temperature and pressure range. A comparison between used models shows that modified Kwak and Mansoori mixing rules give better correlations in comparison with the other mixing rules.

Sign in / Sign up

Export Citation Format

Share Document