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

Research output: Contribution to journalConference article

32 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)2351-2357
Number of pages7
JournalSymposium (International) on Combustion
Volume27
Issue number2
DOIs
StatePublished - 1 Jan 1998
Event27th International Symposium on Combustion - Boulder, CO, United States
Duration: 2 Aug 19987 Aug 1998

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