TY - JOUR
T1 - Mandelic Acid Single-Crystal Growth: Experiments VS Numerical Simulations
AU - Tan , Q.
AU - Hosseini , S.A.
AU - Seidel-Morgenstern , A.
AU - Thévenin , D.
AU - Lorenz , H.
JO - Communications in Computational Physics
VL - 1
SP - 77
EP - 100
PY - 2023
DA - 2023/02
SN - 33
DO - http://doi.org/10.4208/cicp.OA-2022-0035
UR - https://global-sci.org/intro/article_detail/cicp/21426.html
KW - Mandelic acid, phase-field model, lattice Boltzmann method, ventilation effect.
AB - <p style="text-align: justify;">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.</p>