Detailed kinetic model for ammonium dinitramide decomposition

• Izato, Yu-ichiro

• Miyake, Atsumi

抄録

Ammonium dinitramide (ADN; [NH4]+[N(NO2)2]−) is the most promising oxidizer for use with future green solid and liquid propellants for spacecraft applications. To allow the effective development and use of ADN-based propellants, it is important to understand ADN reaction mechanisms. This work presents a detailed chemical kinetics model for the liquid phase reactions of ADN based on quantum chemical calculations. The thermal corrections, entropies, and heat capacities of chemical species were calculated from the partition function using statistical machinery based on the G4 level of theory. Rate coefficients were also determined to allow the application of transition state theory and variational transition state theory to reactions identified in our previous study. The new model employed herein simulates the thermal decomposition of ADN under specific heating conditions and successfully predicts heats of reaction and the gases that result from decomposition under those conditions. The thermal behavior predicted from the new model was an excellent match with the experimental behavior observed from thermal analysis using differential scanning calorimetry and Raman spectroscopy. The new kinetic model reveals the mechanism for the decomposition of ADN.

収録刊行物

• Combustion and Flame

  Combustion and Flame 198 222-229, 2018-12

  Elsevier B.V.

キーワード

• Ammonium dinitramide
• Propellant
• Liquid phase reaction
• Detailed chemical kinetics

詳細情報

• CRID: 1050845762804253184
• NII論文ID: 120006551705
• ISSN: 00102180
• DOI: 10.1016/j.combustflame.2018.09.013
• Web Site: http://hdl.handle.net/10131/00012127
• Web Site: https://api.elsevier.com/content/article/PII:S0010218018304048?httpAccept=text/xml
• Web Site: https://api.elsevier.com/content/article/PII:S0010218018304048?httpAccept=text/plain
• 本文言語コード: en
• 資料種別: journal article
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