Model Building on Selectivity of Gas Antisolvent Fractionation Method Using the Solubility Parameter

Authors

  • Máté Mihalovits
    Affiliation

    Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Műegyetem rakpart 3., Hungary

  • Attila Horváth
    Affiliation

    Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Műegyetem rakpart 3., Hungary

  • László Lőrincz
    Affiliation

    Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Műegyetem rakpart 3., Hungary

  • Edit Székely
    Affiliation

    Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Műegyetem rakpart 3., Hungary

  • Sándor Kemény
    Affiliation

    Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Műegyetem rakpart 3., Hungary

https://doi.org/10.3311/PPch.12855

Abstract

Solubility parameters are widely used in the polymer industry and are often applied in the high pressure field as well as they give the possibility of combining the effects of all operational parameters on solubility in a single term. We demonstrate a statistical methodology to apply solubility parameters in constructing a model to describe antisolvent fractionation based chiral resolution, which is a complex process including a chemical equilibrium, precipitation and extraction as well. The solubility parameter used in this article, is the Hansen parameter. The evaluation of experimental results of resolution and crystallization of ibuprofen with (R)-phenylethylamine based on diastereomeric salt formation by gas antisolvent fractionation method was carried out. Two sets of experiments were performed, one with methanol as organic solvent in an undesigned experiment and one with ethanol in a designed experiment. The utilization of D-optimal design in order to decrease the necessary number of experiments and to overcome the problem of constrained design space was demonstrated. Linear models including dependence of pressure, temperature and the solubility parameter were appropriate to describe the selectivity of the GASF optical resolution method in both sets of experiments.

Keywords:

gas antisolvent precipitation, supercritical carbon dioxide, Hansen parameter, model building, D-optimal design

Published Online

2019-03-19

How to Cite

Mihalovits, M., Horváth, A., Lőrincz, L., Székely, E., Kemény, S. “Model Building on Selectivity of Gas Antisolvent Fractionation Method Using the Solubility Parameter”, Periodica Polytechnica Chemical Engineering, 63(2), pp. 294–302, 2019. https://doi.org/10.3311/PPch.12855

Issue

Section

Articles