journal article·2025-07-07

Determination of ε-CL-20 Content and Crystallization Kinetics by FTIR Spectroscopy

Yufei Chang, Liang Qin, Dan He, Guangyuan Zhang, Jianlong Wang, Lizhen Chen

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Abstract

This study employed Fourier Transform Infrared (FTIR) spectroscopy to quantitatively analyze the β-CL-20 content in ε-CL-20 and investigated its crystallization kinetics. By analyzing the characteristic FTIR peaks of ε-CL-20, a linear relationship was established between the absorbance ratio at A816−824cm−1 to that at A867−897cm−1 and the concentration of ε-CL-20. The calibration curve was determined to be y = 0.0401 + 11.9444x, with a correlation coefficient of 0.9980, indicating high accuracy and reliability of the method. Furthermore, the effects of solvent properties, solvent ratio, and temperature on the recrystallization process of CL-20 were investigated. The results demonstrated that increasing temperature was unfavorable for the crystallization of CL-20, while n-octane was identified as a suitable anti-solvent, with an optimal volume ratio of five times that of the solvent. Based on the experimental data, kinetic equations for the crystal transformation of CL-20 were established, providing a theoretical foundation for the crystallization process. This study provides an effective method and theoretical support for the quantitative analysis of β-CL-20 content in ε-CL-20 and the optimization of its crystallization process.
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Research context

OpenAlex topics: Crystallization and Solubility Studies · Analytical Chemistry and Chromatography · Computational Drug Discovery Methods

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

North University of China

Gansu Yinguang Chemical Industry Group Co. Ltd

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