Mandelic Acid Single-Crystal Growth:Experiments vs Numerical Simulations

作     者：Q.Tan S.A.Hosseini A.Seidel-Morgenstern D.Thevenin H.Lorenz 

作者机构：Laboratory of Fluid Dynamics and Technical FlowsUniversity ofMagdeburg“Otto von Guericke”D-39106MagdeburgGermany Department of Mechanical and Process EngineeringETH Zurich8092 ZurichSwitzerland Max Planck Institute for Dynamics of Complex Technical Systems(MPI DCTS)39106MagdeburgGermany 

出 版 物：《Communications in Computational Physics》 (计算物理通讯（英文）)

年 卷 期：2023年第33卷第1期

页      面：77-100页

核心收录：

学科分类：07[理学] 0701[理学-数学] 0702[理学-物理学] 070101[理学-基础数学] 

基　　金：support by the EU-program ERDF(European Regional Development Fund)within the Research Center for Dynamic Systems(CDS).S.A.H.acknowledges the financial support of the Deutsche Forschungsgemeinschaft(DFG German Research Foundation)in TRR 287(Project-ID 422037413) 

主　　题：Mandelic acid phase-field model lattice Boltzmann method ventilation effect 

摘      要：Mandelic acid is an enantiomer of interest in many areas,in particular for the pharmaceutical *** of the approaches to produce enantiopure mandelic acid is through crystallization from an aqueous *** propose in this study a numerical tool based on lattice Boltzmann simulations to model crystallization dynamics of(S)-mandelic *** solver is first validated against experimental *** is then used to perform parametric studies concerning the effects of important parameters such as supersaturation and seed size on the growth *** is finally extended to investigate the impact of forced convection on the crystal *** 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.