Theoretical study on the synthesis of HMX via nitrolysis of TAT promoted by ionic liquids

被引：0

作者：

Liu, Huaxin ^{[1
,5
]}

Huo, Xinyuan ^{[2
]}

Ma, Yinhua ^{[1
,5
]}

Yin, Shuhui ^{[1
]}

He, Haixiang ^{[3
,4
]}

Shang, Fangjian ^{[2
]}

机构：

[1] Dalian Maritime Univ, Dept Phys, Dalian 116026, Peoples R China

[2] Shandong Univ Aeronaut, Coll Aeronaut Engn, Binzhou 256603, Peoples R China

[3] Guangxi Univ, Coll Chem & Chem Engn, Nanning 530004, Peoples R China

[4] Guangxi Key Lab Electrochem Energy Mat, Nanning 530004, Peoples R China

[5] Chinese Acad Sci, Dalian Inst Chem Phys, Res Ctr Adv Biol Manufacture, Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2025年 / 859卷

基金：

中国国家自然科学基金;

关键词：

Ionic liquids; Energetic materials; HMX; TAT; RDX; DECOMPOSITION; EXPLOSIVES;

D O I：

10.1016/j.cplett.2024.141773

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The synthesis of HMX via the TAT method offers an effective strategy. However, the difficulty in synthesizing HMX is mainly limited by the nitration reaction of TAT. Ionic liquids have been shown to facilitate the nitration of energetic materials. Despite these advancements, the theoretical insight for how ionic liquids enhance the selective nitration is still inadequate. This study indicates that the energy barriers for each rate-determining step of the nitration process in ionic liquid solutions are lower compared to those in aqueous solutions, significantly influencing the formation of complexes at different reaction sites of TAT during the initial nitration stages.

引用

页数：7

共 37 条

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