Monte Carlo simulation of size-enlargement mechanisms in crystallization

This article outlines a Monte Carlo approach for simulating crystallization processes both as an alternative to solving the population balance equations (PBE) and as a way of conducting multicoordinate simulations that are too complex to be solved as PBEs. First, simple cases with different combinat...

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Bibliographic Details
Published in:AIChE journal 1996-07, Vol.42 (7), p.1864-1874
Main Authors: van Peborgh Gooch, John R., Hounslow, Michael J.
Format: Article
Language:English
Subjects:
Applied sciences
Chemical engineering
Crystallization, leaching, miscellaneous separations
Exact sciences and technology
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Summary:This article outlines a Monte Carlo approach for simulating crystallization processes both as an alternative to solving the population balance equations (PBE) and as a way of conducting multicoordinate simulations that are too complex to be solved as PBEs. First, simple cases with different combinations of nucleation, growth and aggregation are simulated for batch and continuous systems. The comparison of the results of these test cases with analytical and numerical results shows excellent agreement. New results for two cases with simultaneous growth rate dispersion and aggregation are also discussed. From these results, a new hypothesis is proposed to explain the observed reduction in the degree of aggregation for larger crystals in the continuous crystallization of potassium sulfate. The simulations show that this experimental observation may be caused by small, slow‐growing crystals being swallowed by larger, fast‐growing ones.
ISSN:0001-1541
1547-5905
DOI:10.1002/aic.690420708