Thermal decomposition of gaseous ammonium dinitramide at low pressure: Kinetic modeling of product formation with ab initio MO/cVRRKM calculations

J. Park*, D. Chakraborty, Ming-Chang Lin

*Corresponding author for this work

研究成果: Conference article同行評審

32 引文 斯高帕斯(Scopus)

摘要

The thermal decomposition of ammonium dinitramide, NH4N(NO 2)2 (ADN), in the gas phase has been studied at 373-920 K by pyrolysis/mass spectrometry under low-pressure conditions using a Saalfeld reactor. The reaction of the sublimed mixture of NH3 and HN(NO2) 2 (dinitraminic acid, DN) was found to be initiated by the unimolecular decomposition of DN, HN(NO2)2 → HNNO2 + NO2, followed by the rapid decomposition reaction, HNNO2 + M →N2O + OH + M. The measured absolute yields of NH3, H2O, N2, and N2O, calibrated with standard mixtures, could be satisfactorily modeled at 10 Torr He carrier gas pressure by employing the theoretically computed values of k 2 = 6.79 × 1048 T-11.0 exp(-21780/T) s-1 and k3 = 7.53 × 1024 T-2.9 exp(-12958/T) cm3/(mol s) by high-level ab initio molecular orbital and canonical variational Rice-Ramsperger-Kassel-Marcus (MO/cVRRKM) calculations. The key reactions with recommended rate constants are presented.

原文English
頁(從 - 到)2351-2357
頁數7
期刊Symposium (International) on Combustion
27
發行號2
DOIs
出版狀態Published - 1 一月 1998
事件27th International Symposium on Combustion - Boulder, CO, United States
持續時間: 2 八月 19987 八月 1998

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