Interaction between thermodynamics and kinetics in trimorphic concomitant crystallization

化学工业与工程

Chemcial Industry and Engineering

2024, Vol. 41

Issue (6) :149-157 DOI: 10.13353/j.issn.1004.9533.20220312

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Interaction between thermodynamics and kinetics in trimorphic concomitant crystallization

LAN Jinqi¹, ZHU Zhenxing², XIE Chuang¹

1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;
2. State Key Laboratory of Catalytic Materials and Reaction Engineering, RIPP, SINOPEC, Beijing 102200, China

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Abstract Concomitant polymorphism is a special phenomenon of simultaneous crystallization of multiple polymorphs, which should be avoided in pharmaceutical process. The effects of thermodynamics-kinetics interaction on the trimorphic concomitant crystallization of sulfathiazole in water were discussed. The solubility of sulfathiazole Form II/III/IV in water at different temperatures was determined using dynamic method, indicating that Form III is a thermodynamically stable polymorph within 15—60 ℃, and Form II & IV have similar solubility. The nucleation induction period and corresponding polymorphs under different supersaturation were determined. It was found that pure Form III can be obtained at low supersaturation (1.15≤S≤1.40), while at high supersaturation (1.90≤S≤9.00) trimorphic concomitant crystallization occurs. Kinetics study shows that Form IV is the kinetically optimal polymorph, but Form II has the smallest critical radius and nucleation energy barriers. The interactions and competition of kinetic and thermodynamics can explain the above-mentioned supersaturation dependence of concomitant polymorphism. The Ostwald ratio was introduced to predict the ternary phase diagram of the concomitant crystallization of sulfathiazole in water, quantifying the effect of supersaturation on the ratio of the three concomitant polymorphs.

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	LAN Jinqi
	ZHU Zhenxing
	XIE Chuang

Keywords： concomitant polymorphism supersaturation crystallization thermodynamics nucleation crystallization kinetics

Received 2022-04-01;

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LAN Jinqi, ZHU Zhenxing, XIE Chuang.Interaction between thermodynamics and kinetics in trimorphic concomitant crystallization[J] Chemcial Industry and Engineering, 2024,V41(6): 149-157

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