Chemical kinetic study of HAN decomposition

Lee, Hyung Sik; Litzinger, Thomas A.

doi:10.1016/s0010-2180(03)00157-3

Cited by 72 publications

(61 citation statements)

References 46 publications

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“…Khare et al [15] studied the ignition behaviour of HAN/water solutions and developed a theoretical model incorporating gas [16,17] and condensed phase reactions that include electrolysis of ionic liquids and the Lee and Litzinger model [18]. This prior work calculated the ignition delay of aqueous HAN solutions using the model and discussed the appropriateness of electrolytically-induced ignition systems for HAN-based propellants.…”

Section: Introductionmentioning

confidence: 99%

“…This prior work calculated the ignition delay of aqueous HAN solutions using the model and discussed the appropriateness of electrolytically-induced ignition systems for HAN-based propellants. The Lee and Litzinger model [18] …”

Section: Introductionmentioning

confidence: 99%

“…Lee and Litzinger [18] developed a reduced reaction model based on previously proposed reaction mechanisms [19,20], and were able to predict the reaction rates by simulating the experimental decomposition process and applying an inverse analysis technique.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Decomposition Pathways for Aqueous Hydroxylammonium Nitrate Solutions: a DFT Study

Izato¹,

Koshi²,

Miyake³

2017

Cent. Eur. J. Energ. Mater.

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Hydroxylammmonium nitrate (hydroxylamine nitrate, HAN) is one of the most promising candidates as a replacement for commonly used liquid mono-propellants such as hydrazine. The reaction pathways involved in the initial and the catalytic decomposition of HAN in aqueous solution were determined using quantum chemistry calculations incorporating solvent effects. Optimized structures were obtained for the reactants, products and transition states at the ωB97XD/6-311++G(d,p)/SCRF = (solvent = water) level of theory and the total electron energies of these structures were calculated at the CBS-QB3 level of theory. In the initial decomposition, the ion-neutral NH3OH + -HNO3 reaction, the neutral-neutral NH3O-HNO3 reaction and the HNO3 self-decomposition pathways were all found to have reasonable energy barriers, with values of 91.7 kJ/mol, 88.7 kJ/mol and 89.8 kJ/mol, respectively. The overall reaction resulting from any of these pathways can be written as: HAN → HONO + HNO + H2O. The ionic reaction is dominant during the initial decomposition of HAN in aqueous solution because NH3OH+ and NO3 -are the major species in such solutions. We also developed six catalytic mechanisms and each of these schemes provided the same global reaction: NH2OH + HONO → N2O + 2H2O. The t-ONONO2 oxidizing scheme is the most plausible based on the energy barrier results.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Decomposition Pathways for Aqueous Hydroxylammonium Nitrate Solutions: a DFT Study

Izato¹,

Koshi²,

Miyake³

2017

Cent. Eur. J. Energ. Mater.

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“…It hasn't yet reached practical applicability due to problems regarding ignition catalysts, complicated combustion mechanisms, high sensitivity and material incompatibility [8].…”

Section: Introductionmentioning

confidence: 99%

Rocket Solid Propellant Alternative Based on Ammonium Dinitramide

Cican¹,

Alexandru-Daniel²

2017

INCAS BULLETIN

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“…Liquid or solid state combustion and detonation processes have been the subject of considerable experimental (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15)(16) and theoretical (17)(18)(19)(20)(21)(22)(23)(24)(25) efforts. Yet, experimental methods for obtaining a detailed characterization of reaction intermediates and products in the condensed phase are limited and much less precise than in for instance the gas phase.…”

Section: Introductionmentioning

confidence: 99%

The Mechanism and Dynamics of Explosive Combustion in Aerosol Fuels

Baer¹,

Miller²

2006

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The 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 the collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing the burden, to the Department of Defense, Executive Services and Communications Directorate (0704-0188). 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 PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION Department of Chemistry REPORT NUMBERUniversity of North Carolina Chapel Hill, NC 27599-3290 SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS(ES)AFOSR ABSTRACTThe research involves the production of high energy material particles with diameters between 1 and 5 om and the study of its subsequent combustion by rapid laser heating or photolysis. Alternatively, the high-energy ionic liquids with no vapor pressure are placed on a plate inside the vacuum and irradiated with high intensity IR radiation. In either case, the reaction products are followed by single photon vacuum UV laser ionization in a time of flight (TOF) mass spectrometer. The purpose is the elucidation of reaction mechanisms in high density or condensed phases and the development of more efficient methods of combustion. The experimental set-up includes aerosol generation tools that inject the particles at atmospheric pressure into an aerodynamic lens, which focuses the particles onto the center of a 3 mm expansion nozzle, whereupon the particles are accelerated to velocities of 200 to 300 m/s depending upon their size. The research involves the production of high energy material particles with diameters between 1 and 5 ýtm and the study of its subsequent combustion by rapid laser heating or photolysis. Alternatively, the high-energy ionic liquids with no vapor pressure are placed on a plate inside the vacuum and irradiated with high intensity IR radiation. In either case, the reaction products are followed by single photon vacuum UV laser ionization in a time of flight (TOF) mass spectrometer. The purpose is the elucidation of reaction mechanisms in high density or condensed phases and the development of more efficient methods of combustion. The experimental set-up includes aerosol generation tools that inject the particles at atmospheric pressure into an aerodynamic lens, which focuses the particles onto the center of a 3 mm expansion nozzle, whereupon the particles are accelerated to velocities of 200 to 300 m/s depending upon their size. The particles are sized by laser light scattering, ignited by a high power CO 2 laser pulse, and the products ionized by the 10.48 eV light produced by third harmonic gener...

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Chemical kinetic study of HAN decomposition

Cited by 72 publications

References 46 publications

Decomposition Pathways for Aqueous Hydroxylammonium Nitrate Solutions: a DFT Study

Decomposition Pathways for Aqueous Hydroxylammonium Nitrate Solutions: a DFT Study

Rocket Solid Propellant Alternative Based on Ammonium Dinitramide

The Mechanism and Dynamics of Explosive Combustion in Aerosol Fuels

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