Propellants, Explos, Pyrotech. Dikun Hong, Zehua Li, Ting Si, Xin Guo. J Phys Chem A. The working hydrazine solutions were prepared in demineralized deoxygenated water using pure hydrazine hydrate (Fluka, 98%+). PubMed Google Scholar. W. G. Berl and W. E. Wilson, “Formation of Boron Nitride in Diborane-Hydrazine Flames,” Nature 191, 380 (1961). Thus, it is interesting to know hydrazine thermal behavior in several storage conditions. Chemical effect of NO on CH4 oxidation during combustion in O2/NO environments. J Therm Anal Calorim. Thermal initiation of explosive. Information. Users are Sintering of calcium oxide (CaO) during CO2 chemisorption: a reactive molecular dynamics study. Thus, it is interesting to know hydrazine thermal behavior in several storage conditions. The kinetic parameters for thermal decomposition of hydrazine in oxygen and nitrogen atmospheres were determined by Capela–Ribeiro nonlinear isoconversional method. Using the ReaxFF reactive force field for molecular dynamics simulations of the spontaneous combustion of lignite with the Hatcher lignite model. Development of a ReaxFF Reactive Force Field for Ammonium Nitrate and Application to Shock Compression and Thermal Decomposition. 2 Santos, L.B., Ribeiro, C.A., Capela, J.M.V. Mattos CE, Moreira ED, Dutra RCL, Diniz MF, Ribeiro AP, Iha K. Determination of the HMX and RDX Content in synthesized energetic material by HPLC, FT-MIR, and FT-NIR spectroscopies. Albert S. Nazarov, Viktor N. Demin, Ekaterina D. Grayfer, Alexander I. Bulavchenko, Aida T. Arymbaeva, Hyeon-Jin Shin, Jae-Young Choi, Vladimir E. Fedorov. Thermal decomposition of hydrazines from reactive dynamics using the ReaxFF reactive force field. van Duin, Simon R. Phillpot. 2 Heitmainn HG, Schub P, Seiffert K, Braun D. Chemie des Sekundar Kreislaufes in Kernkraftwerken mit Druckwasserreaktoren. Correspondence to This is a preview of subscription content, log in to check access. I. Rubtsov, and V. A. Strunin, “Thermal Decomposition and Deflagration of Solid Hydrazineborane,” in Combustion of Boron-based Solid Propellants and Solid Fuels, Ed. 2011;105:405–10. 1/3 model. 1999. Luzheng Zhang, Yongqi Lu, Massoud Rostam-Abadi. Anisotropic Impact Sensitivity and Shock Induced Plasticity of TKX-50 (Dihydroxylammonium 5,5′-bis(tetrazole)-1,1′-diolate) Single Crystals: From Large-Scale Molecular Dynamics Simulations. Stankovic M, Filipovic M, Kapor V. Thermal analysis in propellant stability examinations. ‐Heptane Pyrolysis at High Temperature. Thermal dissociation kinetics of solid and liquid ammonium nitrate. It was not possible to identify a specific kinetic model for hydrazine thermal decomposition due to high heterogeneity in reaction; however, experimental f(α)g(α) master-plot curves were closed to F © 2020 Springer Nature Switzerland AG. J Therm Anal Calorim. This is a preview of subscription content, log in to check access. We analyzed chemical reaction mechanism of the decomposition of hydrazine at the studied conditions and found that at lower temperatures the initial product from hydrazine decomposition is NH(3), whereas at higher temperatures H(2) and N(2) are the dominant early products. The Journal of Supercritical Fluids 2011, 55 (3) , 1014-1018. https://doi.org/10.1016/j.supflu.2010.10.029. Understanding the phase separation of N Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study. In a quartz or glass vessel the reaction proceeds according to the equation 3N2H4→4NH3 + N2. Soc. O and CO Anal Chem. DOI: 10.1021/jp900194d Corpus ID: 18017007. A study of the isotopic composition of molecular nitrogen from the thermal decomposition of hydrazine enriched in H 2 15 N− 14 NH 2 between 270°C and 325°C shows that no randomization of the nitrogen atoms occurs during the … Determination of emissivities with a differential scanning calorimeter. Journal of Analytical and Applied Pyrolysis. Thermochim Acta. Thermal decomposition of hydrazine. system. Thus, it is interesting to know hydrazine thermal behavior in several storage conditions. Information about how to use the RightsLink permission system can be found at Kinetic parameters from thermogravimetric data. Manelis, V.V. 1956;57:217–21. Institute of Problems of Chemical Physics, Chernogolovka, 142432, Russia, G. B. Manelis, V. V. Zakharov, G. N. Nechiporenko, V. A. Strunin, A. V. Raevskii & V. V. Yakovlev, You can also search for this author in Find more information about Crossref citation counts. Juan‐qin Li, Fan Wang, Xue‐ming Cheng, Xiang‐yuan Li. Akad. the Altmetric Attention Score and how the score is calculated. 1998;52:439–45. The thermal decomposition of gaseous hydrazine is at least in part heterogeneous. Stefania Cagnina, Patricia Rotureau, Guillaume Fayet, Carlo Adamo. 1987. The ReaxFF reactive force-field: development, applications and future directions. In studies of the catalytic decomposition of hydrazine on surfaces Pt[100] and Pt[111], we found that the presence of a Pt-catalyst reduces the initial decomposition temperature of hydrazine by about 50%. We analyzed chemical reaction mechanism of the decomposition of hydrazine at the studied conditions and found that at lower temperatures the initial product from hydrazine decomposition is NH3, whereas at higher temperatures H2 and N2 are the dominant early products. The kinetic parameters for thermal decomposition of hydrazine in oxygen and nitrogen atmospheres were determined by Capela–Ribeiro nonlinear isoconversional method. A well-behaved theoretical framework for ReaxFF reactive force fields. Functionalization and Dispersion of Hexagonal Boron Nitride (h-BN) Nanosheets Treated with Inorganic Reagents. Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions. b = 69 °C) and oxygen (E = 64.9 ± 8.6 kJ mol−1, lnA = 20.7 ± 3.1 and T 1984. Acta Astronaut. Vyazovkin S, Clawson JS, Wight CA. Prominent … ‡New Mexico Institute of Mining and Technology. Dongliang Hu, Xingyu Gu, Bingyan Cui, Jianzhong Pei. In particular, we determined how the decomposition of hydrazine is affected by temperature, pressure, and heating rate. Reactive molecular dynamics simulation of the thermal decomposition mechanisms of 4,10-dinitro-2,6,8,12-tetraoxa-4,10-diazatetracyclo[5.5.0.05,9.03,11]dodecane (TEX). These studies use the ReaxFF reactive force field to describe the multitude of chemical reactions in these systems…. Reaction mechanisms are discussed in the light of this result. By continuing you agree to the use of cookies. Variable charge many-body interatomic potentials. 1979. Chem. This article is cited by Direct synthesis of ordered mesoporous carbons. The American Chemical Society holds a copyright ownership interest in any copyrightable Supporting Combustion and thermal decomposition of hydrazine borane. Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations. Recent Achievements and Future Challenges on the Modeling Study of AP-Based Propellants. citation, Update/Correction/Removal CAS Quim Nova. Propellants Explo Pyrotech. Zinn J, Rogers RN. G. B. Manelis, G. N. Nechiporenko, A. V. Raevskiy, Yu. National Center for Environmental Assessment, Office of Research and Development. US Environmental Protection Agency. Princeton: Princeton University Press; 1958. © 2013 Akadémiai Kiadó, Budapest, Hungary. When some sample of the propellant tested fails, the entire sample lot shall be rejected, and this action has turned into a health problem due to the high toxicity of N2H 4. https://doi.org/10.1007/s10973-013-2968-8. Haberman J, Castorina TC. Thermochim Acta. redistribute this material, requesters must process their own requests via the RightsLink permission Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics. ‐octadecane: A molecular dynamics simulation. J Therm Anal Calorim. When some sample of the propellant tested fails, the entire sample lot shall be rejected, and this action has turned into a health problem due to the high toxicity of N2H4.
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