New Formula for the Hydrogen-Bonding Hansen Component of Methanol, Ethanol, and -Propanol for Non-ambient Conditions-Application in Gas Antisolvent Fractionation-Based Optical Resolution.

Optical resolution by diastereomeric salt formation based on gas antisolvent fractionation is influenced by the chemical equilibrium of the salt formation, the solubility, and the extraction of the compounds. Selectivity, also known as resolution efficiency, is highly solvent-dependent and is also affected by process parameters both in atmospheric and supercritical processes. For the first time in the literature, a mathematical model that employs all three Hansen parameters and operating parameters is constructed to describe the selectivity of a gas antisolvent fractionation process. The satisfying goodness of fit of the models suggests that the outcome of the three subprocesses in the gas antisolvent fractionation process (i.e., salt formation reaction, precipitation, and extraction) can be described in a single model. A new formula for pressure and temperature correction of the hydrogen-bonding component of the Hansen parameter for non-ambient conditions for liquid methanol, ethanol, and -propanol is also suggested in this paper.