抄録
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.
| 元の言語 | English |
|---|---|
| ページ（範囲） | 1199-1209 |
| ページ数 | 11 |
| ジャーナル | CrystEngComm |
| 巻 | 15 |
| 発行部数 | 6 |
| DOI | |
| 出版物ステータス | Published - 2013 2 14 |
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ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
- Condensed Matter Physics
これを引用
Deducing primary nucleation parameters from metastable zone width and induction time data determined with simulation. / Kobari, M.; Kubota, N.; Hirasawa, Izumi.
：: CrystEngComm, 巻 15, 番号 6, 14.02.2013, p. 1199-1209.研究成果: Article
}
TY - JOUR
T1 - Deducing primary nucleation parameters from metastable zone width and induction time data determined with simulation
AU - Kobari, M.
AU - Kubota, N.
AU - Hirasawa, Izumi
PY - 2013/2/14
Y1 - 2013/2/14
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=84872320610&partnerID=8YFLogxK
U2 - 10.1039/c2ce26679b
DO - 10.1039/c2ce26679b
M3 - Article
AN - SCOPUS:84872320610
VL - 15
SP - 1199
EP - 1209
JO - CrystEngComm
JF - CrystEngComm
SN - 1466-8033
IS - 6
ER -