Deducing primary nucleation parameters from metastable zone width and induction time data determined with simulation

M. Kobari, N. Kubota, Izumi Hirasawa

    Research output: Contribution to journalArticle

    19 Citations (Scopus)

    Abstract

    Metastable zone widths (MSZWs) and induction times were determined with numerical simulations on an unseeded aqueous solution. The simulated MSZWs and induction times were significantly affected by secondary nucleation caused by nuclei grown crystals. However, this secondary nucleation-mediated effect on the MSZWs and induction times was negligibly small at high cooling rates and at high supercoolings, respectively. The primary nucleation parameters k b1 and b1 in the rate expression B1 = k b1(ΔT)b1, where B1 is the nucleation rate and ΔT is supercooling, were deduced by applying mathematical Kubota models to the determined MSZWs and induction times, respectively. Correct primary nucleation parameters (i.e., the same values as those input for the simulations) were deduced only under the condition of neglected secondary nucleation. The simulation results suggest that, in actual experiments, the proper primary nucleation parameters b1 and kb 1 can be deduced from the MSZWs and induction times if these were measured under the condition of neglected secondary nucleation. In addition, an experiment with a slow stirrer speed (low secondary nucleation rate) and with a high sensitivity detector (earlier detection of the MSZW and induction time) were recommended for the deduction of correct primary nucleation parameters.

    Original languageEnglish
    Pages (from-to)1199-1209
    Number of pages11
    JournalCrystEngComm
    Volume15
    Issue number6
    DOIs
    Publication statusPublished - 2013 Feb 14

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    induction
    Nucleation
    nucleation
    simulation
    Supercooling
    supercooling
    deduction
    low speed
    mathematical models
    Experiments
    Mathematical models
    aqueous solutions
    Cooling
    Detectors
    cooling
    Crystals
    nuclei
    sensitivity
    detectors
    Computer simulation

    ASJC Scopus subject areas

    • Chemistry(all)
    • Materials Science(all)
    • Condensed Matter Physics

    Cite this

    Deducing primary nucleation parameters from metastable zone width and induction time data determined with simulation. / Kobari, M.; Kubota, N.; Hirasawa, Izumi.

    In: CrystEngComm, Vol. 15, No. 6, 14.02.2013, p. 1199-1209.

    Research output: Contribution to journalArticle

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