1. Modeling of Diffusion for Crystal Growth
- Author
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Matthew J. Jones, Caner Yürüdü, and Joachim Ulrich
- Subjects
Range (particle radiation) ,Modeling software ,Chemistry ,Crystal growth ,General Chemistry ,Condensed Matter Physics ,Surface energy ,law.invention ,Crystal ,law ,Chemical physics ,Physical chemistry ,General Materials Science ,Crystallization ,Crystal habit ,Diffusion (business) - Abstract
Computer simulations have a wide range of applications in crystallization of which crystal habit prediction is one of the most important. In the absence of routine experimental methods, computer simulations can provide a detailed picture of the kinetics of crystallization. The mechanism of crystal growth from solutions is subject to different processes. Present computational methods available as part of commercially available modeling software are based upon either the Bravais–Friedel–Donnay–Harker (BFDH), the attachment energy (AE) or the surface energy models and do not account for the influence of the growth environment of the crystal upon its growth. In order to control the growth of crystals and therefore their habit, it is necessary to understand the factors that govern individual face growth rates. Since crystal growth depends upon mass transport to the surface of the crystal whenever crystal growth occurs in solution, it is reasonable to assume that a quantitative description of the mass transport...
- Published
- 2012