Insight into the role of ethylene glycol on thermodynamics and nucleation kinetics of dimethyl terephthalate in mixed solvent system--颗粒学报PARTICUOLOGY

Zhang, Y., Shi, C., Tang, J., Liu, L., Yan, D., Zhou, Q., . . . Jia, S. (2024). Insight into the role of ethylene glycol on thermodynamics and nucleation kinetics of dimethyl terephthalate in mixed solvent system. Particuology, 85, 1-12. https://doi.org/10.1016/j.partic.2023.03.010

Insight into the role of ethylene glycol on thermodynamics and nucleation kinetics of dimethyl terephthalate in mixed solvent system

Yujin Zhang ^{a b}, Chunyan Shi ^b *, Jing Tang ^{b c}, Li Liu ^{b d}, Dongxia Yan ^b, Qing Zhou ^{b e}, Xingmei Lu ^{b e}, Songyan Jia ^a *

a College of Chemical Engineering, Shenyang University of Chemical Technology, Shenyang, 110142, China
b Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190, China
c School of Chemistry and Chemical Engineering, Qingdao University, Qingdao, 266071, China
d Henan Institute of Advanced Technology, Zhengzhou University, Zhengzhou, 450001, China e School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China

10.1016/j.partic.2023.03.010

Volume 85, February 2024, Pages 1-12

Received 12 January 2023, Revised 12 March 2023, Accepted 14 March 2023, Available online 1 April 2023, Version of Record 15 April 2023.

E-mail: cyshi@ipe.ac.cn; jiasongyan@126.com

Highlights

• Correlation of solubility data using seven different solubility models.

• Exploration of metastable zone width and solubility variation in mixed solvent system.

• Effects of saturation temperature and solvent system on nucleation kinetics were investigated.

• Correlation between nucleation drive and solid-liquid interface energy was discussed.

Abstract

Dissolution and nucleation are two essential processes for industrial crystallization. This paper investigates the effect of ethylene glycol addition on the crystallization behavior of dimethyl terephthalate (DMT) in solution. The DMT solubility in mixed solvent system (methanol-ethylene glycol) was determined by isothermal satiation approach, and the solubility was associated using seven models. The model fitting results were consistent with the experimental values. Based on the results, the metastable zone width (MSZW) of DMT was detected by the polythermal approach; the modified Sangwal's theory was used to investigate the nucleation behavior, which can provide a new way of thought for better analysis of the crystallization behavior. The results demonstrated that MSZW was associated with various elements, such as cooling rate, saturation temperature and mass fraction of ethylene glycol. The addition of ethylene glycol slowed down the nucleation rate as shown by the broadening of MSZW. We derive the solid-liquid interface energy, the nucleation driving force, the critical nucleation size and the critical Gibbs free energy according to the classical nucleation theory. It is demonstrated that the nucleation driving force and the solid-liquid interface energy are dependent and jointly influence the MSZW.

Graphical abstract

Keywords

Dissolution; Nucleation; Solubility; Apparent thermodynamic parameters; Metastable zone width; Solid-liquid interface energy

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