Simulations of Crystal Growth Using Lattice Boltzmann Formulation

Q. Tan (), S. A. Hosseini () and D. Thévenin ()
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Q. Tan: University of Magdeburg “Otto von Guericke”, Laboratory of Fluid Dynamics and Technical Flows
S. A. Hosseini: ETH, Department of Mechanical and Process Engineering
D. Thévenin: University of Magdeburg “Otto von Guericke”, Laboratory of Fluid Dynamics and Technical Flows

A chapter in High Performance Computing in Science and Engineering '22, 2024, pp 387-398 from Springer

Abstract: Abstract Crystallization is widely applied in many industrial applications, in particular for chemical engineering and pharmaceutical products. This project will focus on the modeling of crystal growth with a phase-field model using the lattice Boltzmann method. First, simulations of snowflake growth are carried out under different ambient conditions (humidity and temperature) in the plate-growth regime of the Nakaya diagram. The resulting crystal habits show that the phase-field model correctly captures both the crystal shape and the onset of primary and secondary branching instabilities. After that, the growth rate of a single crystal of S-mandelic acid (S-ma) is computed and validated by comparison with experimental results. Finally, the approach is extended to investigate the impact of forced convection on the crystal habits both on the snowflakes and S-ma crystals. Based on there parametric studies, a modification of the reactor geometry is proposed that should reduce the observed deviations from symmetrical growth for the single S-ma crystal.

Date: 2024
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-031-46870-4_25

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DOI: 10.1007/978-3-031-46870-4_25

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