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Application of PC-SAFT and cubic equations of state for the correlation of solubility of some pharmaceutical and statin drugs in SC-CO2

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Author(s): Abdallah El Hadj. A. | Si-Moussa C. | Hanini S. | Laidi M.

Journal: Chemical Industry and Chemical Engineering Quarterly
ISSN 1451-9372

Volume: 19;
Issue: 3;
Start page: 449;
Date: 2013;
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Keywords: Solid solubility | Cubic Equation of state | PC-SAFT | Anti-Inflammatory | Supercritical carbon dioxide | Correlation.

ABSTRACT
In this work, the solubilities of some anti-inflammatory (nabumetone, phenylbutazone and salicylamide) and statin drugs (fluvastatin, atorvastatin, lovastatin, simvastatin and rosuvastatin) were correlated using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) with one-parameter mixing rule and commonly used cubic equations of state Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) combining with van-der Waals-1 parameter (VDW1) and van-der Waals-2 parameters (VDW2) mixing rules. The experimental data for studied compounds were taken from literature at temperature and pressure in ranges (308-348 K) and (100-360 bar) respectively. The critical properties required for the correlation with PR and SRK were estimated using Gani and Noonalol contribution group methods whereas, PC-SAFT pure-component parameters; segment number (m), segment diameter (σ) and energy parameter (ε/k) have been estimated by tihic’s group contribution method for nabumetone. For phenylbutazone and salicylamide those parameters were determined using a linear correlation. For statin drugs, PC-SAFT parameters were fitted to solubility data, and binary interaction parameters (kij and lij) have been obtained by fitting the experimental data. The result was found to be in good agreement with the experimental data and showed that PC-SAFT approach can be used to model solid-SCF equilibrium with better correlation accuracy than cubic equations of state.
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