TITLE:
Solubility Modeling of N-CBZ Derivatised Amino Acids in Supercritical Carbon Dioxide
AUTHORS:
N. Vedaraman, Pravin Gadkari, Balaraman Manohar, K. V. Sandhya, Gerd Brunner, K. Udaya Sankar
KEYWORDS:
Derivatized Amino Acids, Soave-Redlich-Kwong (SRK), Yu Model, Gordillo Model
JOURNAL NAME:
International Journal of Analytical Mass Spectrometry and Chromatography,
Vol.2 No.2,
July
1,
2014
ABSTRACT: The experimental solubility of CBZ (Carbobenzoxy) derivatized amino acids namely N-CBZ valine, N-CBZ proline, N-CBZ aspartic acid in supercritical carbon dioxide were correlated by Soave-Red- lich-Kwong Equation state based on fugacity determination and group contribution method using extrapolated critical parameters and mixing rules and other two different empirical models proposed by Yu (1994) and Gordillo-coworkers (1999). The SRK EOS prediction showed very high deviation of % AARD of 9% - 59%. The Yu model had three derivatized amino acids with average absolute deviation from 2.04, 8.17, 10.96, while the Gordillo model had 0.245, 1.067 and 1.144 for CBZ-valine, CBZ-proline and CBZ-aspartic acid successively. The correlated values had better fit with Gordillo model. The predictive capability and applicability for these amino acid derivatives for both the models demonstrated with correlation coefficient around 0.99 for all the experimental solubility observed.