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    Simulating micrometre-scale crystal growth from solution

    Access Status
    Fulltext not available
    Authors
    Piana, Stefano
    Reyhani, Manijeh
    Gale, Julian
    Date
    2005
    Type
    Journal Article
    
    Metadata
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    Citation
    Piana, Stefano and Reyhani, Manijeh and Gale, Julian. 2005. Simulating micrometre-scale crystal growth from solution. Nature 438 (3): 70-73.
    Source Title
    Nature
    DOI
    10.1038/nature04173
    Faculty
    Department of Applied Chemistry
    Division of Engineering, Science and Computing
    Faculty of Science
    Remarks

    Originally published by Nature Publishing Group and available at http://www.nature.com/index.html

    URI
    http://hdl.handle.net/20.500.11937/25291
    Collection
    • Curtin Research Publications
    Abstract

    Understanding crystal growth is essential for controlling the crystallization used in industrial separation and purification processes. Because solids interact through their surfaces, crystal shape can influence both chemical and physical properties1. The thermodynamic morphology can readily be predicted2, but most particle shapes are actually controlled by the kinetics of the atomic growth processes through which assembly occurs3. Here we study the urea-solvent interface at the nanometre scale and report kinetic Monte Carlo simulations of the micrometre-scale threedimensional growth of urea crystals. These simulations accurately reproduce experimentally observed crystal growth. Unlike previous models of crystal growth4-6, no assumption is made that the morphology can be constructed from the results for independently growing surfaces or from an a priori specification of surface defect concentration. This approach offers insights into the role of the solvent, the degree of supersaturation, and the contribution that extended defects (such as screw dislocations) make to crystal growth. It also connects observations made at the nanometre scale, through in situ atomic force microscopy, with those made at the macroscopic level. If extended to include additives, the technique could lead to the computer aided design of crystals.

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