title: Thermochemical properties and non-isothermal decomposition reaction kinetics of 3,4-dinitrofurazanfuroxan (DNTF).
abstract: The constant-volume combustion energy, DeltacU (DNTF, s, 298.15K) and kinetic behavior of the exothermic decomposition reaction of the title compound (DNTF) are determined by a precise rotating bomb calorimeter and DSC, respectively. Its standard enthalpy of combustion, DeltacHmtheta (DNTF, s, 298.15K), standard enthalpy of formation, DeltacHmtheta (DNTF, s, 298.15K) and kinetic parameters of the major exothermic decomposition reaction in a temperature-programmed mode [the apparent activation energy (Ea) and pre-exponential factor (A)] are calculated. The values of DeltacU (DNTF, s, 298.15K), DeltacHmtheta (DNTF, s, 298.15K), and DeltacHmtheta (DNTF, s, 298.15K) of DNTF are -9733.96 +/- 8.59 Jg(-1), -3018.29 +/- 2.68 kJ mol(-1), and 657.23 +/- 2.70 kJ mol(-1), respectively. The kinetic model function in integral form and the value of E(a) and A of the major exothermic decomposition reaction of DNTF are 1-(1-alpha)1/3, 177.03 kJ mol(-1) and 10(13.68)s(-1), respectively. The critical temperature of thermal explosion of DNTF is 240.6 degrees C.
authors.affiliation: Xi'an Modern Chemistry Research Institute, Xi'an, Shaanxi 710065, China. npecc@21cn.com
authors.forename: Zhao
authors.initials: Z
authors.lastname: Feng-qi
authors.forename: Chen
authors.initials: C
authors.lastname: Pei
authors.forename: Hu
authors.initials: H
authors.lastname: Rong-zu
authors.forename: Luo
authors.initials: L
authors.lastname: Yang
authors.forename: Zhang
authors.initials: Z
authors.lastname: Zhi-zhong
authors.forename: Zhou
authors.initials: Z
authors.lastname: Yan-shui
authors.forename: Yang
authors.initials: Y
authors.lastname: Xu-wu
authors.forename: Gao
authors.initials: G
authors.lastname: Yin
authors.forename: Gao
authors.initials: G
authors.lastname: Sheng-li
authors.forename: Shi
authors.initials: S
authors.lastname: Qi-zhen
mesh_terms: D005107:Explosions; D015386:Hazardous Substances; D007700:Kinetics; D008422:Materials Testing / Q000379:methods; D008956:Models, Chemical; D009574:Nitro Compounds / Q000737:chemistry*; D009583:Nitrofurazone / Q000031:analogs & derivatives* / Q000737:chemistry*; D010069:Oxadiazoles / Q000737:chemistry*; D016877:Oxidants / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: C496744:3,4-dinitrofurazanfuroxan; D015386:Hazardous Substances; D009574:Nitro Compounds; D010069:Oxadiazoles; D016877:Oxidants; C010166:furoxans; D009583:Nitrofurazone