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

Abstract

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 n-propanol is also suggested in this paper.

Concentration of Antioxidant Compounds from Calendula officinalis through Sustainable Supercritical Technologies, and Computational Study of Their Permeability in Skin for Cosmetic Use

“…In any case, it seems clear that the different solubilities shown by the components of the mixture to be separated in the supercritical ethanol–CO 2 mixture play an essential role in the fractionation process. In fact, it can be mentioned here that a very simple semi-empirical model containing the operating parameters (temperature and pressure) and the Hansen solubility parameters has been proved to be appropriate for describing the selectivity in a GAS-fractionation process closely related to SAF and SAS [ 81 , 82 ].…”

Study of Antioxidant Activity of Garden Blackberries (Rubus fruticosus L.) Extracts Obtained with Different Extraction Solvents

“…For extractions at a higher temperature, such as Soxhlet and, especially, for pressurized liquid extraction (PLE), the Hansen parameters should be calculated, taking into account the temperature dependence of these parameters [50,51].…”

“…From Figure 6, we obtained data that, for the extraction of cyanidin-3-O-glucoside, predicted the optimal theoretical concentration of acetonitrile-water mixture will be copt = 56.2% v/v, which is in good agreement with the previous estimation. For extractions at a higher temperature, such as Soxhlet and, especially, for pressurized liquid extraction (PLE), the Hansen parameters should be calculated, taking into account the temperature dependence of these parameters [50,51].…”