期刊
ORGANIC PROCESS RESEARCH & DEVELOPMENT
卷 20, 期 11, 页码 1911-1916出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.oprd.6b00221
关键词
CL-20; TADN; nitration; complex reaction; kinetics model
资金
- National Natural Science Foundation of China [21576026, 11176004]
- China Academy of Engineering Physics [11176004]
The kinetics of the nitration reaction of 2,6,8,12-tetraacetyl-4,10-dinitro-2,4,6,8,10,12-hexaazaisowurtzitane (TADN) in HNO3-H2SO4 nitrating agent has been studied. The reaction network of the nitration reaction is constructed according to analysis of the experimental results. A kinetics model is introduced and the kinetics parameters are estimated by data fitting. Statistical analysis verifies that the kinetics model is in good agreement with the experimental data. Therefore, the reaction kinetics model can be applied to process analysis and scale-up of nitration of TADN to 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (HNIW).
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