Mihalovits Máté, Kőrösi Márton, Székely Edit
Department of Chemical and Environmental Process Engineering, Budapest University of Technology and Economics, Budapest 1111, Hungary.
ACS Omega. 2021 Jul 12;6(29):18964-18974. doi: 10.1021/acsomega.1c02223. eCollection 2021 Jul 27.
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.
基于气体抗溶剂分级分离通过非对映体盐形成实现的光学拆分受盐形成的化学平衡、溶解度以及化合物的萃取影响。选择性，也称为拆分效率，高度依赖于溶剂，并且在常压和超临界过程中也受工艺参数影响。本文首次构建了一个使用所有三个汉森参数和操作参数的数学模型来描述气体抗溶剂分级分离过程的选择性。模型良好的拟合度表明，气体抗溶剂分级分离过程中的三个子过程（即盐形成反应、沉淀和萃取）的结果可以在一个模型中描述。本文还提出了一种针对液态甲醇、乙醇和正丙醇非环境条件下汉森参数氢键组分的压力和温度校正新公式。
