Computer simulation of metastable zone width for unseeded potassium sulfate aqueous solution

M. Kobari, N. Kubota, Izumi Hirasawa

    Research output: Contribution to journalArticle

    20 Citations (Scopus)

    Abstract

    Simulation was performed for crystallization of potassium sulfate from an unseeded aqueous solution whose temperature was lowered at a constant rate. The metastable zone width (MSZW) was defined as the supercooling at which the number density of generated crystals reached a fixed value of (N/M)det. Secondary nucleation caused by grown primary nuclei had a significant effect on the simulated MSZW for the unseeded solution. It lowered the simulated MSZW at lower cooling rates with a low detection sensitivity (i.e. high value of (N/M)det). The secondary nucleation effect became weak at higher cooling rates with a high detection sensitivity and the MSZW was governed with primary nucleation only. In actual experiments of MSZW, therefore, higher cooling rate with a high detection sensitivity is preferable to deduce the kinetics of primary nucleation from MSZW data.

    Original languageEnglish
    Pages (from-to)64-69
    Number of pages6
    JournalJournal of Crystal Growth
    Volume317
    Issue number1
    DOIs
    Publication statusPublished - 2011 Feb 15

    Fingerprint

    Potassium
    sulfates
    potassium
    Nucleation
    computerized simulation
    aqueous solutions
    Computer simulation
    Cooling
    nucleation
    cooling
    Supercooling
    Crystallization
    supercooling
    Crystals
    Kinetics
    Sulfates
    potassium sulfate
    crystallization
    nuclei
    Experiments

    Keywords

    • A1. Computer simulation
    • A1. Metastable zone width
    • A1. Primary nucleation
    • A1. Secondary nucleation
    • A2. Industrial crystallization

    ASJC Scopus subject areas

    • Condensed Matter Physics
    • Materials Chemistry
    • Inorganic Chemistry

    Cite this

    Computer simulation of metastable zone width for unseeded potassium sulfate aqueous solution. / Kobari, M.; Kubota, N.; Hirasawa, Izumi.

    In: Journal of Crystal Growth, Vol. 317, No. 1, 15.02.2011, p. 64-69.

    Research output: Contribution to journalArticle

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