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    Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution

    19779_downloaded_stream_297.pdf (1.110Mb)
    Access Status
    Open access
    Authors
    Piana, Stefano
    Gale, Julian
    Date
    2006
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Piana-agostinetti, Stefano and Gale, Julian. 2006. Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution. Journal of Crystal Growth 294: 46-52.
    Source Title
    Journal of Crystal Growth
    DOI
    10.1016/j.jcrysgro.2006.05.020
    Faculty
    Department of Applied Chemistry
    Division of Engineering, Science and Computing
    Faculty of Science
    Remarks

    Author's version of: Piana-agostinetti, Stefano and Gale, Julian (2006) Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution, Journal of Crystal Growth 294:46-52.

    Copyright 2006 Elsevier B.V. All rights reserved.

    URI
    http://hdl.handle.net/20.500.11937/11522
    Collection
    • Curtin Research Publications
    Abstract

    The growth of urea crystals from water and methanol solutions has been studied with kinetic Monte Carlo simulations. Parameters for the simulations were derived from atomistic molecular dynamics simulations of the growth and dissolution of urea from water and methanol solutions. This approach allows the effect of solvation on the growth and dissolution kinetics to be fully included while extending the size of the simulation to the micrometre length scale and millisecond timescale.

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