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Multi-Component Diffusion in the Vicinity of a Growing Crystal

Helfenritter, Christoph ORCID iD icon 1; Kind, Matthias 2
1 Karlsruher Institut für Technologie (KIT)
2 Institut für Thermische Verfahrenstechnik (TVT), Karlsruher Institut für Technologie (KIT)

Abstract:

Co-crystallization from multi-component solutions occurs in many solids formation processes. The measurement or simulative description of concentration courses in the fluid vicinity of a growing crystalline substrate is difficult for such systems. These are relevant with respect to developing concentrations of crystallizing components at the solid-liquid interface due to diffusion fluxes in the solution. Concentrations may change such that unintended crystalline states can develop. With Fickian multi-component diffusion modeling we are able to simulate the timely evolution of the concentrations in the diffusion boundary layer during crystallization of various solid entities. Not only single solvate crystallization is modeled but also co-crystallization from multi-component solutions with different solvate states. The simulations are run with the assumption that diffusion limitation dominates. However, the model can be easily adapted to integration limitation. The interdependence of two diffusing components is taken into account in Fick’s multicomponent diffusion with a diffusion coefficient between these two components. We show that the consideration of so called cross-diffusion effects between dissolved materials can be neglected during crystallization of single decahydrates and during co-crystallization of anhydrous electrolytes. ... mehr


Verlagsausgabe §
DOI: 10.5445/IR/1000148912
Veröffentlicht am 25.07.2022
Originalveröffentlichung
DOI: 10.3390/cryst12060872
Scopus
Zitationen: 2
Web of Science
Zitationen: 2
Dimensions
Zitationen: 2
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Thermische Verfahrenstechnik (TVT)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2022
Sprache Englisch
Identifikator ISSN: 2073-4352
KITopen-ID: 1000148912
Erschienen in Crystals
Verlag MDPI
Band 12
Heft 6
Seiten Art.-Nr. 872
Bemerkung zur Veröffentlichung Gefördert durch den KIT-Publikationsfonds
Vorab online veröffentlicht am 20.06.2022
Nachgewiesen in Dimensions
Web of Science
Scopus
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