Studies on ammonium dinitramide and 3,4-diaminofurazan cocrystal for tuning the hygroscopicity

doi:10.1016/j.cjche.2023.01.006

中国化学工程学报 ›› 2023, Vol. 61 ›› Issue (9): 157-164.DOI: 10.1016/j.cjche.2023.01.006

• Full Length Article • 上一篇下一篇

Studies on ammonium dinitramide and 3,4-diaminofurazan cocrystal for tuning the hygroscopicity

Dongdong Hu¹, Yinglei Wang², Chuan Xiao³, Yifei Hu¹, Zhiyong Zhou¹, Zhongqi Ren¹

1. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China;
2. Xi'an Modern Chemistry Research Institute, Xi'an 710065, China;
3. China Research and Development Academy of Machinery Equipment, Beijing 10089, China

收稿日期:2022-10-18 修回日期:2022-12-27 出版日期:2023-09-28 发布日期:2023-12-14
通讯作者: Zhiyong Zhou,E-mail:zhouzy@mail.buct.edu.cn;Zhongqi Ren,E-mail:renzq@mail.buct.edu.cn
基金资助:
This work was supported by the National Natural Science Foundation of China (22125802), Beijing Natural Science Foundation (2222017) and National key research and development program (2021YFC2101202). The authors gratefully acknowledge these grants.

Studies on ammonium dinitramide and 3,4-diaminofurazan cocrystal for tuning the hygroscopicity

Dongdong Hu¹, Yinglei Wang², Chuan Xiao³, Yifei Hu¹, Zhiyong Zhou¹, Zhongqi Ren¹

1. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China;
2. Xi'an Modern Chemistry Research Institute, Xi'an 710065, China;
3. China Research and Development Academy of Machinery Equipment, Beijing 10089, China

Received:2022-10-18 Revised:2022-12-27 Online:2023-09-28 Published:2023-12-14
Contact: Zhiyong Zhou,E-mail:zhouzy@mail.buct.edu.cn;Zhongqi Ren,E-mail:renzq@mail.buct.edu.cn
Supported by:
This work was supported by the National Natural Science Foundation of China (22125802), Beijing Natural Science Foundation (2222017) and National key research and development program (2021YFC2101202). The authors gratefully acknowledge these grants.

摘要/Abstract

摘要： Ammonium dinitramide (ADN) is a promising oxidizer with high energy characteristic, which is a relatively new environmentally friendly oxidizer without halogens and carbon elements. However, ADN has high hygroscopicity when exposed to high humidity air, restricting its applications on the solid propellants. In this paper, a novel energetic cocrystal composed of ammonium dinitramide and 3,4-diaminofurazan (DAF) was proposed and successfully synthesized by antisolvent crystallization method, and the properties of the cocrystal were systematically investigated by analytical characterization and theoretical simulation calculations. The formation of the cocrystal was confirmed by powder X-ray diffraction, differential scanning calorimetry, scanning electron microscopy, infrared spectroscopy and Raman spectroscopy, indicating that the synthesized product was a cocrystal. Through theoretical studies, the ADN/DAF cocrystal structure was predicted, and the powder X-ray diffraction, morphology, water sorption capacity of ADN/DAF cocrystal were calculated, which was consistent with experimental phenomena. The results showed that newly prepared cocrystal of ADN/DAF had lower hygroscopicity compared to pure ADN, and the water sorption capacity was reduced from 15.35% to 7.90%. This may be due to the formation of N-H···O medium-strength hydrogen bonds between the ammonium ion of ADN and the O atom of DAF in the cocrystal, which prevents the binding of water molecules in the air and ammonium ions and reduces the probability of ADN binding to water molecules, leading to the reduction of cocrystal hygroscopicity. The newly prepared energetic cocrystal can provide theoretical and technical guidance for the study of the anti-hygroscopicity of ADN and advance the practical application of ADN.

关键词: Ammonium dinitramide, 3,4-Diaminofurazan, Hygroscopicity, Cocrystallization, Adsorption, Kinetics

Abstract: Ammonium dinitramide (ADN) is a promising oxidizer with high energy characteristic, which is a relatively new environmentally friendly oxidizer without halogens and carbon elements. However, ADN has high hygroscopicity when exposed to high humidity air, restricting its applications on the solid propellants. In this paper, a novel energetic cocrystal composed of ammonium dinitramide and 3,4-diaminofurazan (DAF) was proposed and successfully synthesized by antisolvent crystallization method, and the properties of the cocrystal were systematically investigated by analytical characterization and theoretical simulation calculations. The formation of the cocrystal was confirmed by powder X-ray diffraction, differential scanning calorimetry, scanning electron microscopy, infrared spectroscopy and Raman spectroscopy, indicating that the synthesized product was a cocrystal. Through theoretical studies, the ADN/DAF cocrystal structure was predicted, and the powder X-ray diffraction, morphology, water sorption capacity of ADN/DAF cocrystal were calculated, which was consistent with experimental phenomena. The results showed that newly prepared cocrystal of ADN/DAF had lower hygroscopicity compared to pure ADN, and the water sorption capacity was reduced from 15.35% to 7.90%. This may be due to the formation of N-H···O medium-strength hydrogen bonds between the ammonium ion of ADN and the O atom of DAF in the cocrystal, which prevents the binding of water molecules in the air and ammonium ions and reduces the probability of ADN binding to water molecules, leading to the reduction of cocrystal hygroscopicity. The newly prepared energetic cocrystal can provide theoretical and technical guidance for the study of the anti-hygroscopicity of ADN and advance the practical application of ADN.

Key words: Ammonium dinitramide, 3,4-Diaminofurazan, Hygroscopicity, Cocrystallization, Adsorption, Kinetics

Dongdong Hu, Yinglei Wang, Chuan Xiao, Yifei Hu, Zhiyong Zhou, Zhongqi Ren. Studies on ammonium dinitramide and 3,4-diaminofurazan cocrystal for tuning the hygroscopicity[J]. 中国化学工程学报, 2023, 61(9): 157-164.

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Studies on ammonium dinitramide and 3,4-diaminofurazan cocrystal for tuning the hygroscopicity

Studies on ammonium dinitramide and 3,4-diaminofurazan cocrystal for tuning the hygroscopicity

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