The solubility of aniline hydrochloride ([HAE]Cl) in different aqueous solutions of methanol, ethanol, 1-propanol and their mixed solvent solutions were determined using dynamic method in the temperature range between 288 K and 328 K. With the purpose of improving AspenPlus s prediction capability, in regard to [HAE]Cl solubilities in the CH3OH C2H5OH C3H7OH H2O system at various temperatures, new interaction energy parameters + - [HAE] -Cl ,CH3OH o + - CH3OH,[HAE] -Cl o , + - [HAE] -Cl ,C2H5OH o + - C2H5OH,[HAE] -Cl o and + - [HAE] -Cl ,C3H7OH o + - C3H7OH,[HAE] -Cl o were obtained via the regression of experimental solubility of [HAE]Cl in binary mixed solvent systems with maximum-likelihood principle. With the electrolyte NRTL (ENRTL) interaction parameters newly obtained, a self-consistent model was established for the calculation of [HAE]Cl solubility in the system of CH3OH C2H5OH C3H7OH H2O as a function of temperature and the composition of solvents. The maximum relative deviation between experimental and predicted solubility data is 2.3% and the average relative deviation is 1.8%.
Compounds
#
Formula
Name
1
C6H8ClN
aniline hydrochloride
2
CH4O
methanol
3
C2H6O
ethanol
4
C3H8O
propan-1-ol
5
H2O
water
Datasets
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.