Year: 2023
Author: Q. Tan, S.A. Hosseini, A. Seidel-Morgenstern, D. Thévenin, H. Lorenz
Communications in Computational Physics, Vol. 33 (2023), Iss. 1 : pp. 77–100
Abstract
Mandelic acid is an enantiomer of interest in many areas, in particular for the pharmaceutical industry. One of the approaches to produce enantiopure mandelic acid is through crystallization from an aqueous solution. We propose in this study a numerical tool based on lattice Boltzmann simulations to model crystallization dynamics of (S)-mandelic acid. The solver is first validated against experimental data. It is then used to perform parametric studies concerning the effects of important parameters such as supersaturation and seed size on the growth rate. It is finally extended to investigate the impact of forced convection on the crystal habits. Based on there parametric studies, a modification of the reactor geometry is proposed that should reduce the observed deviations from symmetrical growth with a five-fold habit.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.OA-2022-0035
Communications in Computational Physics, Vol. 33 (2023), Iss. 1 : pp. 77–100
Published online: 2023-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 24
Keywords: Mandelic acid phase-field model lattice Boltzmann method ventilation effect.