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A Journal of Russian Academy of Sciences
 Founded
in January 1966
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IssuesArchive of Issues2022-4pp.883-892

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A.I. Prostomolotov and N.A. Verezub, "Mathematical Simulation of Crystal Growing in Water-Salt Solutions," Mech. Solids. 57 (4), 883-892 (2022)
Year 2022 Volume 57 Number 4 Pages 883-892
DOI 10.3103/S002565442204015X
Title Mathematical Simulation of Crystal Growing in Water-Salt Solutions
Author(s) A.I. Prostomolotov (Ishlinsky Institute for Problems in Mechanics of Russian Academy of Sciences, Moscow 119526, Russia, aprosto@inbox.ru)
N.A. Verezub (Ishlinsky Institute for Problems in Mechanics of Russian Academy of Sciences, Moscow 119526, Russia, verezub@ipmnet.ru)
Abstract A detection of the conditions of high-rate single crystal growth with an appropriate quality is a priority for an industrial production of crystalline materials. The crystals of potassium dihydrogen phosphate (KDP) are the important optical materials. They are growing from water-salt solutions. The flow and mass transfer are modeled within the framework of continuous medium, which is considered as a water solution of a special salt-potassium dihydrogen phosphate. This salt dissolves in water to a saturation level at a high temperature. Then, such supersaturated solution is used to grow crystals at lower temperatures in static crystallizers (without inflow and outflow) and in continuous-flow crystallizers. The mathematical model is considered in a conjugate formulation with taking into an account of mass transfer in "solution-crystal" system. The local features of hydrodynamics and mass transfer in a solution near a surface of growing crystal are established, which may affect to a local (for a particular place and direction) crystal growth rates and a defect formation. The requirements to the crystallizers for providing a “necessary” solution hydrodynamics are discussed. The validation of this model is shown for the task of flow around a long horizontal plate, which simulating the growing crystal facet. The rate of salt precipitation is estimated by means of proposed mathematical model, in which a solution flow and salt concentration are calculated by solving Navier-Stokes and mass transfer equations for an incompressible fluid. Then the calculated salt flux on crystal surface is applied in a thermodynamic relationship for a normal growth of facets under conditions of two-dimensional nucleation. The action of continuous-flow crystallizers was analyzed for various solution inflows (axial and ring) and its outflow through the bottom hole.
Keywords computer simulation, mass transfer, impurities, interfaces, saturation
Received 07 February 2022Revised 18 February 2022Accepted 21 February 2022
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