Chemical Kinetic Model for Monomethylhydrazine/Nitrogen Tetroxide Gas Phase Combustion and Hypergolic Ignition

Catoire, L.; Chaumeix, Nabiha; Paillard, C.

doi:10.2514/1.9234

Cited by 67 publications

(43 citation statements)

References 25 publications

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“…The current MMH/NTO hypergolic system has been used successfully for decades, 28,29 and much theoretical work on the MMH/NTO system has been performed. [30][31][32][33][34][35] However, little experimental work exists [36][37][38][39][40] to confirm these results. Therefore, replacing the volatile, highly toxic, and carcinogenic MMH with a safer fuel is not a straightforward task.…”

Section: Introductionmentioning

confidence: 99%

Fourier Transform Infrared Studies in Hypergolic Ignition of Ionic Liquids

et al. 2008

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Public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing this collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden to Department of Defense, Washington Headquarters Services, Directorate for Information Operations and Reports (0704-0188), 1215 Jefferson Davis Highway, Suite 1204, Arlington, VA 22202-4302. Respondents should be aware that notwithstanding any other provision of law, no person shall be subject to any penalty for failing to comply with a collection of information if it does not display a currently valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. REPORT DATE (DD-MM-YYYY) SPONSORING / MONITORING AGENCY NAME(S) AND ADDRESS(ES) 10. SPONSOR/MONITOR'S ACRONYM(S)Air Force Research Laboratory (AFMC) AFRL/RZS SPONSOR/MONITOR'S Pollux Drive NUMBER(S)Edwards AFB CA 93524-70448 AFRL-RZ-ED-JA-2008-090 DISTRIBUTION / AVAILABILITY STATEMENTApproved for public release; distribution unlimited (PA# 08149A) SUPPLEMENTARY NOTESPublished in J. Phys. Chem. A 2008, 112, 7816-7824. © 2008 American Chemical Society. ABSTRACTA class of room temperature ionic liquids (RTILs) that exhibit hypergolic activity towards strong nitric acid is reported. Fast ignition of dicyanamide ionic liquids when mixed with nitric acid is contrasted with the reactivity of the ionic liquid azides, which show high reactivity with nitric acid, but do not ignite. The reactivity of other potential salt fuels is assessed here. Rapid-scan, Fourier Transform infrared (FTIR) spectroscopy of the pre-ignition phase indicates the evolution of N 2 O from both the dicyanamide and azide RTILs. Evidence for the evolution of CO 2 and isocyanic acid (HNCO) with similar temporal behavior to N 2 O from reaction of the dicyanamide ionic liquids with nitric acid is presented. Evolution of HN 3 is detected from the azides. No evolution of HCN from the dicyanamide reactions was detected. From the FTIR observations, biuret reaction tests and initial ab initio calculations, a mechanism is proposed for the formation of N 2 O, CO 2 and HNCO from the dicyanamide reactions during pre-ignition. SUBJECT TERMS SECURITY CLASSIFICATION OF:17 ReceiVed: April 28, 2008; ReVised Manuscript ReceiVed: June 2, 2008 A class of room-temperature ionic liquids (RTILs) that exhibit hypergolic activity toward fuming nitric acid is reported. Fast ignition of dicyanamide ionic liquids when mixed with nitric acid is contrasted with the reactivity of the ionic liquid azides, which show high reactivity with nitric acid, but do not ignite. The reactivity of other potential salt fuels is assessed here. Rapid-scan, Fourier transform infrared (FTIR) spectroscopy of the preignition phase indicates the evolution of N 2 O from both the dicyanamide and azide...

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Section: Introductionmentioning

confidence: 99%

Fourier Transform Infrared Studies in Hypergolic Ignition of Ionic Liquids

et al. 2008

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“…All of the theoretical studies suggested that the minimum activation energy of the H atom abstraction reactions for MMH + NO 2 would be larger than the activation energy of MMH + NO 2 → CH 3 NNH 2 + HONO included in the kinetics models proposed in the previous studies. 2,3 Moreover, the CH 3 NHNH + HONO formation path, which was the most energetically favorable path suggested by McQuaid and Ishikawa 5 and in our previous study, 7 was not taken into account in the current models.…”

Section: Introductionmentioning

confidence: 92%

Computational Study of the Rate Coefficients for the Reactions of NO₂ with CH₃NHNH, CH₃NNH₂, and CH₂NHNH₂

et al. 2015

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The reactions of NO2 with cis-/trans-CH3NHNH, CH3NNH2 and CH2NHNH2 have been studied theoretically by quantum chemical calculations and steady-state unimolecular master equation analysis based on RRKM theory. The barrier heights for the roaming transition states between nitro (RNO2) and nitrite (RONO) isomerization reactions and those for the concerted HONO and HNO2 elimination reactions from RNO2 and RONO, affect the pressure dependences of the product-specific rate coefficients. At ambient temperature and pressure, the dominant product of the reactions of NO2 with cis-/trans-CH3NHNH and CH2NHNH2 would be expected to be HONO with trans-CH3NNH and CH2NNH2, respectively, whereas it is CH3N(NH2)NO2 for CH3NNH2 + NO2. The product-specific rate coefficients for the titled and related reactions on the same potential energy surfaces were proposed for kinetics modeling.

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Section: Introductionmentioning

confidence: 99%

“…For the efficient development of hypergolic propulsion systems, computational fluid dynamic models are employed to gain insight into the influence of design parameters on engine performance [1,2]. The detailed chemical kinetic models, which are required for the accurate prediction of ignition phenomena, have been developed for hydrazine/NTO [3], MMH/NTO [4], and MMH/RFNA [5] propellants. Although the abstraction of an H atom from CH 3 NHNH 2 by NO 2 plays an important role in the initiation of MMH/NTO or RFNA systems, the only CH 3 NNH 2 + HONO formation path with the activation energy of the rate coefficient estimated to be 25 kJ mol −1 , from the analogy of the NH 3 + NO 2 reaction, was involved in the above models [4,5].…”

Section: Introductionmentioning

confidence: 99%

“…The detailed chemical kinetic models, which are required for the accurate prediction of ignition phenomena, have been developed for hydrazine/NTO [3], MMH/NTO [4], and MMH/RFNA [5] propellants. Although the abstraction of an H atom from CH 3 NHNH 2 by NO 2 plays an important role in the initiation of MMH/NTO or RFNA systems, the only CH 3 NNH 2 + HONO formation path with the activation energy of the rate coefficient estimated to be 25 kJ mol −1 , from the analogy of the NH 3 + NO 2 reaction, was involved in the above models [4,5]. Mc-Quaid and Ishikawa obtained potential energy diagram of the CH 3 NHNH 2 + NO 2 system at the CCSD(T)/6-311++G(3df,2p)//MPWB1K/6-31+G(d,p) level of theory [6].…”

Section: Introductionmentioning

confidence: 99%

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Theoretical Study of the Rate Coefficients for CH₃NHNH₂ + NO₂ and Related Reactions

Kanno

Terashima

Daimon

et al. 2014

Int J of Chemical Kinetics

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The kinetics and mechanisms of H atom abstraction reactions from CH 3 NHNH 2 by NO 2 (R1) and related reactions have been investigated theoretically by using ωB97X-D and CCSD(T)-F12 quantum chemical calculations and the steady-state unimolecular master equation analysis based on Rice-Ramsperger-Kassel-Marcus (RRKM) theory. For reaction (R1), both dissociation and isomerization steps between intermediate complexes were found to be important for the distribution of the dissociated bimolecular products. The dominant products of (R1) were found to be cis-CH 3 NHNH and HONO at lower temperature. The branching ratios for CH 3 NNH 2 formation paths increased with increasing temperature. On the same reaction potential energy surface, six reactions including isomerization reactions between CH 3 NNH 2 and cis-/trans-CH 3 NHNH catalyzed by HONO were suggested to compete with the reverse reaction of (R1). The temperature-and pressure-dependent rate expressions are proposed for kinetic modeling. C

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Chemical Kinetic Model for Monomethylhydrazine/Nitrogen Tetroxide Gas Phase Combustion and Hypergolic Ignition

Cited by 67 publications

References 25 publications

Fourier Transform Infrared Studies in Hypergolic Ignition of Ionic Liquids

Fourier Transform Infrared Studies in Hypergolic Ignition of Ionic Liquids

Computational Study of the Rate Coefficients for the Reactions of NO₂ with CH₃NHNH, CH₃NNH₂, and CH₂NHNH₂

Theoretical Study of the Rate Coefficients for CH₃NHNH₂ + NO₂ and Related Reactions

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Chemical Kinetic Model for Monomethylhydrazine/Nitrogen Tetroxide Gas Phase Combustion and Hypergolic Ignition

Cited by 67 publications

References 25 publications

Fourier Transform Infrared Studies in Hypergolic Ignition of Ionic Liquids

Fourier Transform Infrared Studies in Hypergolic Ignition of Ionic Liquids

Computational Study of the Rate Coefficients for the Reactions of NO2 with CH3NHNH, CH3NNH2, and CH2NHNH2

Theoretical Study of the Rate Coefficients for CH3NHNH2 + NO2 and Related Reactions

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Computational Study of the Rate Coefficients for the Reactions of NO₂ with CH₃NHNH, CH₃NNH₂, and CH₂NHNH₂

Theoretical Study of the Rate Coefficients for CH₃NHNH₂ + NO₂ and Related Reactions