A supercritical antisolvent precipitation process was applied to recrystallize vitamin B6 from ethanol solution in CO2. By means of the Peng Robinson equation of state (PR EoS), we performed preliminary studies to identify better operative conditions in terms of the organic solvent, pressure, temperature, and ability to carry a precipitate of the solute. This simulation was also considered to estimate the vitamin B6 particle size starting from supersaturation conditions.
Compounds
#
Formula
Name
1
C8H11NO3
5-hydroxy-6-methyl-3,4-pyridinedimethanol
2
C4H8O
tetrahydrofuran
3
C3H6O
acetone
4
C2H6O
ethanol
5
CH4O
methanol
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.
Type
Compound-#
Property
Variable
Constraint
Phase
Method
#Points
POMD
1
Molar enthalpy of transition or fusion, kJ/mol ; Crystal