Measurement and Correlation of Solid Drugs Solubility in Supercritical Systems

doi:10.1016/S1004-9541(14)60073-2

摘要/Abstract

摘要： A dynamic experimental set-up was utilized to measure ibuprofen solubility in supercritical CO₂ at the pressure range of 8-13 MPa and the temperatures of 308, 313 and 318 K. Mole fraction values varied from 0.015×10^-3 to 3.261×10^-3 and correlated by using seven different semi empirical equations of state (Bartle, Modified Bartle, Mendez-Teja, Modified Mendez-Teja, Kumar-Johnson, Sung-shim and Gordillo) as well as seven cubic equations of state (van der Waals, Redlich-Kwong, Soave-Redlich-Kwong, Peng-Robinson, Stryjek-Vera, Patel-Teja-Valderana and Pazuki). Single and twin-parametric van der Walls mixing rules (vdW1, vdW2) were applied in order to estimate the supercritical solution properties. The physicochemical properties were also obtained using Joback, Lydersen and Ambrose methods. Absolute average relatives deviation (AARD) were calculated and compared for all the correlating systems. Results showed that among the cubic equations of state (EOSs) the Pazuki equation (AARD 19.85% using vdW1 and AARD 8.79% using vdW2) and SRK equation (AARD 19.20% using vdW1 and AARD 10.03% using vdW2) predicted the ibuprofen solubility in supercritical CO₂ with the least error in comparison to the others. Among the semi-empirical EOSs the most desirable deviation (AARD<10%) was obtained by using Modified Bartle and Modified Mendez-Teja equations in all the studied temperatures.

关键词: solubility measurement, supercritical fluids, cubic equations of state, phase equilibrium modeling, semi-empirical correlation

Abstract: A dynamic experimental set-up was utilized to measure ibuprofen solubility in supercritical CO₂ at the pressure range of 8-13 MPa and the temperatures of 308, 313 and 318 K. Mole fraction values varied from 0.015×10^-3 to 3.261×10^-3 and correlated by using seven different semi empirical equations of state (Bartle, Modified Bartle, Mendez-Teja, Modified Mendez-Teja, Kumar-Johnson, Sung-shim and Gordillo) as well as seven cubic equations of state (van der Waals, Redlich-Kwong, Soave-Redlich-Kwong, Peng-Robinson, Stryjek-Vera, Patel-Teja-Valderana and Pazuki). Single and twin-parametric van der Walls mixing rules (vdW1, vdW2) were applied in order to estimate the supercritical solution properties. The physicochemical properties were also obtained using Joback, Lydersen and Ambrose methods. Absolute average relatives deviation (AARD) were calculated and compared for all the correlating systems. Results showed that among the cubic equations of state (EOSs) the Pazuki equation (AARD 19.85% using vdW1 and AARD 8.79% using vdW2) and SRK equation (AARD 19.20% using vdW1 and AARD 10.03% using vdW2) predicted the ibuprofen solubility in supercritical CO₂ with the least error in comparison to the others. Among the semi-empirical EOSs the most desirable deviation (AARD<10%) was obtained by using Modified Bartle and Modified Mendez-Teja equations in all the studied temperatures.

Key words: solubility measurement, supercritical fluids, cubic equations of state, phase equilibrium modeling, semi-empirical correlation

Mehdi Ardjmand, Mehrdad Mirzajanzadeh, Fatemeh Zabihi. Measurement and Correlation of Solid Drugs Solubility in Supercritical Systems[J]. Chinese Journal of Chemical Engineering, 2014, 22(5): 549-558.

Mehdi Ardjmand, Mehrdad Mirzajanzadeh, Fatemeh Zabihi. Measurement and Correlation of Solid Drugs Solubility in Supercritical Systems[J]. Chin.J.Chem.Eng., 2014, 22(5): 549-558.

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