TITLE:
Comparison between Modeling of Cetirizine Solubility Using Different Approaches: Semi-Empirical Density Based Correlations vs. Peng-Robinson EoS
AUTHORS:
Mostafa Lashkarbolooki, Ali Zeinolabedini Hezave
KEYWORDS:
Solubility, Supercritical Fluid, Cetirizine, Correlation, EoS, Semi-Empirical
JOURNAL NAME:
Open Access Library Journal,
Vol.2 No.9,
September
22,
2015
ABSTRACT: The tunable nature of the solubility of various compounds, including
molecules of pharmaceutical and biological interest, in supercritical fluids
(SCFs) makes SCF extraction technology attractive for many separation and purification
processes. Among the different influencing parameters, the most important one
in the supercritical based processes is the knowledge of solubility of model
solute. But, experimental measurement of the solubility of all pharmaceuticals
in wide ranges of temperature and pressure is not only cost effective but also
impossible in some cases. Regarding this fact, during the past decades, several
approaches are proposed to model the solubility of the compounds in the
supercritical fluids especially carbon dioxide. In this way, in the current
investigation, two different approaches including five semi-empirical density
based correlations (Mendez-Santiago and Teja (MST), Bartle et al., Chrastil, Kumar and Johnston (KJ) and Hezave et al.) and Peng-Robinson equation of
state are used to find if it is possible to correlate the solubility of cetirizine
with acceptable deviation as a function of temperature and pressure. The
results reveal that among the examined approaches Hezave and Lashkarbolooki
model leads to better overall correlative capability with average absolute
relative deviation of 5.04% although Peng-Robinson EoS leads to lower AARD % of
3.85 % in 338 K isotherm.