Simulation of metastable zone width and induction time for a seeded aqueous solution of potassium sulfate

M. Kobari; N. Kubota; I. Hirasawa

doi:10.1016/j.jcrysgro.2010.05.042

Simulation of metastable zone width and induction time for a seeded aqueous solution of potassium sulfate

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

^*Corresponding author for this work

School of Advanced Science and Engineering

Research output: Contribution to journal › Article › peer-review

27 Citations (Scopus)

Abstract

The metastable zone width (MSZW, ΔT_m) and induction time (t_ind) were determined with computer simulation for seeded batch crystallization of potassium sulfate from aqueous solution. The MSZW and induction time determined with simulation showed the same behavior as experimental values reported in the literature; log (ΔT_m) increased linearly with an increase in log R (R: cooling rate) and t _ind decreases in proportion to (ΔT)^-n (ΔT: supercooling, n: nucleation order in the secondary rate expression of B=k _n(ΔT)ⁿ). The secondary nucleation parameters (k _n and n) were deduced both from the simulated MSZW and induction times by using the previously proposed model [J. Cryst. Growth, 2010, 312, 548554]. The secondary nucleation rate calculated with the deduced parameters was in agreement with that calculated with the parameters input for simulation.

Original language	English
Pages (from-to)	2734-2739
Number of pages	6
Journal	Journal of Crystal Growth
Volume	312
Issue number	19
DOIs	https://doi.org/10.1016/j.jcrysgro.2010.05.042
Publication status	Published - 2010 Sept 15

Keywords

A1. Computer simulation
A1. Induction time
A1. Metastable zone width
A1. Nucleation
A2. Industrial crystallization
A2. Seed crystals

ASJC Scopus subject areas

Condensed Matter Physics
Inorganic Chemistry
Materials Chemistry

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10.1016/j.jcrysgro.2010.05.042

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title = "Simulation of metastable zone width and induction time for a seeded aqueous solution of potassium sulfate",

abstract = "The metastable zone width (MSZW, ΔTm) and induction time (tind) were determined with computer simulation for seeded batch crystallization of potassium sulfate from aqueous solution. The MSZW and induction time determined with simulation showed the same behavior as experimental values reported in the literature; log (ΔTm) increased linearly with an increase in log R (R: cooling rate) and t ind decreases in proportion to (ΔT)-n (ΔT: supercooling, n: nucleation order in the secondary rate expression of B=k n(ΔT)n). The secondary nucleation parameters (k n and n) were deduced both from the simulated MSZW and induction times by using the previously proposed model [J. Cryst. Growth, 2010, 312, 548554]. The secondary nucleation rate calculated with the deduced parameters was in agreement with that calculated with the parameters input for simulation.",

keywords = "A1. Computer simulation, A1. Induction time, A1. Metastable zone width, A1. Nucleation, A2. Industrial crystallization, A2. Seed crystals",

author = "M. Kobari and N. Kubota and I. Hirasawa",

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doi = "10.1016/j.jcrysgro.2010.05.042",

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TY - JOUR

T1 - Simulation of metastable zone width and induction time for a seeded aqueous solution of potassium sulfate

AU - Kobari, M.

AU - Kubota, N.

AU - Hirasawa, I.

PY - 2010/9/15

Y1 - 2010/9/15

N2 - The metastable zone width (MSZW, ΔTm) and induction time (tind) were determined with computer simulation for seeded batch crystallization of potassium sulfate from aqueous solution. The MSZW and induction time determined with simulation showed the same behavior as experimental values reported in the literature; log (ΔTm) increased linearly with an increase in log R (R: cooling rate) and t ind decreases in proportion to (ΔT)-n (ΔT: supercooling, n: nucleation order in the secondary rate expression of B=k n(ΔT)n). The secondary nucleation parameters (k n and n) were deduced both from the simulated MSZW and induction times by using the previously proposed model [J. Cryst. Growth, 2010, 312, 548554]. The secondary nucleation rate calculated with the deduced parameters was in agreement with that calculated with the parameters input for simulation.

AB - The metastable zone width (MSZW, ΔTm) and induction time (tind) were determined with computer simulation for seeded batch crystallization of potassium sulfate from aqueous solution. The MSZW and induction time determined with simulation showed the same behavior as experimental values reported in the literature; log (ΔTm) increased linearly with an increase in log R (R: cooling rate) and t ind decreases in proportion to (ΔT)-n (ΔT: supercooling, n: nucleation order in the secondary rate expression of B=k n(ΔT)n). The secondary nucleation parameters (k n and n) were deduced both from the simulated MSZW and induction times by using the previously proposed model [J. Cryst. Growth, 2010, 312, 548554]. The secondary nucleation rate calculated with the deduced parameters was in agreement with that calculated with the parameters input for simulation.

KW - A1. Computer simulation

KW - A1. Induction time

KW - A1. Metastable zone width

KW - A1. Nucleation

KW - A2. Industrial crystallization

KW - A2. Seed crystals

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DO - 10.1016/j.jcrysgro.2010.05.042

M3 - Article

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SN - 0022-0248

VL - 312

SP - 2734

EP - 2739

JO - Journal of Crystal Growth

JF - Journal of Crystal Growth

IS - 19

ER -

Simulation of metastable zone width and induction time for a seeded aqueous solution of potassium sulfate

Abstract

Keywords

ASJC Scopus subject areas

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