Measuring and validation for isothermal solubility data of solid 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one (nobiletin) in supercritical carbon dioxide
Cabrera, A. L.[Adolfo L.], Toledo, A. R.[Alma R.], del Valle, J. M.[Jose M.], de la Fuente, J. C.[Juan C.]
Isothermal solubility of 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one (nobiletin) in supercritical carbon dioxide at temperatures of (313, 323 and 333) K and pressures from (18 to 31) MPa was measured using an analytic-recirculation methodology, with direct determination of the molar composition of the carbon dioxide-rich phase by using high performance liquid chromatography. Results indicated that the range of the measured solubility of nobiletin was from 107 10 6 mol mol 1 at T = 333 K and 18.35 MPa to 182 10 6 mol mol 1 at T = 333 K and 31.40 MPa, with a temperature crossover around 18 MPa. The validation of the experimental solubility data was carried out by using three approaches, namely, estimation of combined expanded uncertainty for each solubility data point from experimental parameters values (677 10 6 mol mol 1); thermodynamic consistency, verified utilizing a test adapted from tools based on Gibbs Duhem equation and solubility modelling results; and, self-consistency, proved by correlating the solubility data with a semi-empirical model as a function of temperature, pressure and pure CO2 density.
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.
Type
Compound-#
Property
Variable
Constraint
Phase
Method
#Points
POMD
1
2
Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
Temperature, K; Fluid (supercritical or subcritical phases)
Pressure, kPa; Fluid (supercritical or subcritical phases)