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

M. Kobari, N. Kubota, I. Hirasawa

Research output: Contribution to journalArticle

22 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

ASJC Scopus subject areas

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

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