title: Solubility prediction in supercritical CO(2) using minimum number of experiments.
abstract: 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%.
authors.affiliation: School of Pharmacy, Tabriz University of Medical Sciences, Tabriz 51664, Iran. jouyban@tbzmed.ac.ir
authors.forename: Abolghasem
authors.initials: A
authors.lastname: Jouyban
authors.forename: Mahboob
authors.initials: M
authors.lastname: Rehman
authors.forename: Boris Y
authors.initials: BY
authors.lastname: Shekunov
authors.forename: Hak-Kim
authors.initials: HK
authors.lastname: Chan
authors.forename: Brian J
authors.initials: BJ
authors.lastname: Clark
authors.forename: Peter
authors.initials: P
authors.lastname: York
mesh_terms: 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
chemical_list: D000083:Acetanilides; D000960:Hypolipidemic Agents; D012997:Solvents; C465923:acetoxyacetanilide; D002245:Carbon Dioxide; D009525:Niacin