Exploring the thermal decomposition and detonation mechanisms of 2,4-dinitroanisole by TG-FTIR-MS and molecular simulations

Yang, Nian; Wu, Tianlong; Bao, Xiaofang; Ma, Teng; Huang, Yinsheng; Liu, Dabin; Gong, Xuedong; Wang, Yan A.; Xu, Sen; Zhou, Baojing

doi:10.1039/d4ra00860j

RSC Adv.

2024

DOI: 10.1039/d4ra00860j

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Exploring the thermal decomposition and detonation mechanisms of 2,4-dinitroanisole by TG-FTIR-MS and molecular simulations

Nian Yang,

Tianlong Wu,

Xiaofang Bao

et al.

Abstract: Investigating the thermal decomposition and detonation mechanisms of DNAN by combining TG-FTIR-MS with DFT and ReaxFF MD.

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Thermal decomposition and shock response mechanism of crystalline and amorphous 2,4-dinitroanisole (DNAN) by ReaxFF/lg reactive molecular dynamics simulations

Yang,

Zhu,

Liu

et al. 2024

Materials Today Communications

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Thermal decomposition and shock response mechanism of crystalline and amorphous 2,4-dinitroanisole (DNAN) by ReaxFF/lg reactive molecular dynamics simulations

Yang,

Zhu,

Liu

et al. 2024

Materials Today Communications

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Exploring the thermal decomposition and detonation mechanisms of 2,4-dinitroanisole by TG-FTIR-MS and molecular simulations

Abstract: Investigating the thermal decomposition and detonation mechanisms of DNAN by combining TG-FTIR-MS with DFT and ReaxFF MD.

Cited by 1 publication

References 78 publications

Thermal decomposition and shock response mechanism of crystalline and amorphous 2,4-dinitroanisole (DNAN) by ReaxFF/lg reactive molecular dynamics simulations

Thermal decomposition and shock response mechanism of crystalline and amorphous 2,4-dinitroanisole (DNAN) by ReaxFF/lg reactive molecular dynamics simulations

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