title: Preparation, characterization, non-isothermal reaction kinetics, thermodynamic properties, and safety performances of high nitrogen compound: hydrazine 3-nitro-1,2,4-triazol-5-one complex.
abstract: A new high nitrogen compound hydrazine 3-nitro-1,2,4-triazol-5-one complex (HNTO) was prepared by the reaction of 3-nitro-1,2,4-triazol-5-one with hydrazine hydrate, and its structure was characterized by means of organic elemental analyzer, FT-IR, XRD, (13)C NMR and (15)N NMR. The non-isothermal reaction kinetics of the main exothermic decomposition reaction of HNTO was investigated by means of DSC. The thermodynamic properties of HNTO were calculated. The results showed that the formation of HNTO is achieved by proton transfer of N(4) atom, and it makes a higher nitrogen content and lower acidity. The reaction mechanism of HNTO is classified as nucleation and growth, and the mechanism function is Avramo-Erofeev equation with n=2/5. The kinetic parameters of the reaction are E(a)=195.29 kJ mol(-1), lg(A (s(-1)))=19.37, respectively. The kinetic equation can be expressed as: d(alpha)/d(t) = 10(18.97)(1 - alpha)[-ln(1 - alpha)](3/5) e(-2.35 x 10(4)/T). The safety performances of HNTO were carried out. The critical temperature of thermal explosion are 464.26 and 474.37 K, the adiabatic time-to-explosion is 262s, the impact sensitivity H(50)=45.7 cm, the friction sensitivity P=20% and the electrostatic spark sensitivity E(50)>5.4J (no ignition). It shows that HNTO has an insensitive nature as RDX and NTO, etc.
authors.affiliation: Xi'an Modern Chemistry Research Institute, Xi'an, PR China.
authors.forename: Jian-Hua
authors.initials: JH
authors.lastname: Yi
authors.forename: Feng-Qi
authors.initials: FQ
authors.lastname: Zhao
authors.forename: Hong-Xu
authors.initials: HX
authors.lastname: Gao
authors.forename: Si-Yu
authors.initials: SY
authors.lastname: Xu
authors.forename: Min-Chang
authors.initials: MC
authors.lastname: Wang
authors.forename: Rong-Zu
authors.initials: RZ
authors.lastname: Hu
mesh_terms: D002152:Calorimetry, Differential Scanning; D005107:Explosions; D053834:Explosive Agents / Q000737:chemistry*; D006834:Hydrazines / Q000737:chemistry*; D007700:Kinetics; D009682:Magnetic Resonance Spectroscopy; D009574:Nitro Compounds / Q000737:chemistry*; D013696:Temperature; D013816:Thermodynamics; D014230:Triazoles / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: C505897:3-nitro-1,2,4-triazol-5-one; D053834:Explosive Agents; D006834:Hydrazines; D009574:Nitro Compounds; D014230:Triazoles; C029424:hydrazine