Solubility prediction in supercritical CO(2) using minimum number of experiments.
The correlation ability and solubility prediction in supercritical carbon dioxide of a proposed equation were studied. The work involved the solubilities of nicotinic acid and p-acetoxyacetanilide in supercritical carbon dioxide using a dynamic flow solubility system at 35-75 degrees C and 100-200 bar. The generated experimental solubility data together with 21 data sets collected from the literature were used to evaluate the correlation ability of available empirical equations. The average absolute relative deviations (AARD) for the empirical equations are 12.6-24.8%. The prediction capability of the modified empirical relationship was studied with six experimental data points as a training set. Then, solubility at other temperatures and pressures were predicted. The AARD between predicted solubilities and observed values is 17%.
Jouyban
Abolghasem
A
School of Pharmacy, Tabriz University of Medical Sciences, Tabriz 51664, Iran. jouyban@tbzmed.ac.ir
Rehman
Mahboob
M
Shekunov
Boris Y
BY
Chan
Hak-Kim
HK
Clark
Brian J
BJ
York
Peter
P
D000083:Acetanilides / Q000737:chemistry; D000465:Algorithms; D002245:Carbon Dioxide / Q000737:chemistry*; D000960:Hypolipidemic Agents / Q000737:chemistry; D008956:Models, Chemical; D009525:Niacin / Q000737:chemistry; D012995:Solubility; D012997:Solvents; D013696:Temperature
D000083:Acetanilides; D000960:Hypolipidemic Agents; D012997:Solvents; C465923:acetoxyacetanilide; D002245:Carbon Dioxide; D009525:Niacin