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

M. Kobari*, N. Kubota, I. Hirasawa

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Citations (Scopus)


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
Issue number1
Publication statusPublished - 2011 Feb 15


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

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry


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