Under linear temperature increase condition the thermal behavior and kinetic parameters of the exothermic first-stage decomposition reaction of the title compound were studied by means of DSC and TG-DTG. The empiri-ca...Under linear temperature increase condition the thermal behavior and kinetic parameters of the exothermic first-stage decomposition reaction of the title compound were studied by means of DSC and TG-DTG. The empiri-cal kinetic model function in differential form, apparent activation energy and pre-exponential constant of this reac-tion are 0.122(1-)0.528, 216.4 kJ·mol-1 and 1020.51 s-1, respectively. The critical temperature of thermal explo-sion of the compound is 222.25 ℃. The values of SD, HD, and GD and of this reaction are 108.3 J·ol-1 K-1, 205.1 kJ·ol-1 and 151.4 kJ·ol-1, respectively.展开更多
The kinetic parameters of the exothermic decomposition reaction of the title compound in a tempera-ture-programmed mode have been studied by means of DSC. The empirical kinetic model function in differential form, app...The kinetic parameters of the exothermic decomposition reaction of the title compound in a tempera-ture-programmed mode have been studied by means of DSC. The empirical kinetic model function in differential form, apparent activation energy (Ea) and pre-exponential factor (A) of this reaction are (1-)0.222, 225.8 kJmol-1 and 1020.21 s-1, respectively. The critical temperature of thermal explosion of the compound is 224.9 ℃.展开更多
Quantitative determination of tetranitro-pentaerythritol(PETN) was exploded by using HPLC-ESI MS.PETN was separated on the C18 column through reversed-phase high performance liquid chromatography with methanol-water(...Quantitative determination of tetranitro-pentaerythritol(PETN) was exploded by using HPLC-ESI MS.PETN was separated on the C18 column through reversed-phase high performance liquid chromatography with methanol-water(70 ∶30,by volume) as the mobile phase at a flow rate of 0.2 mL/min.Ultraviolet detection was performed at 225 nm.The base peak of PETN was adduct ion,[M-H+NO3]-.The calibration curve showed a linear range from 1.25 to 200 mg/L with correlation coefficient of 0.999 2.The limit of detection was 0.1 mg/L.The relative standard deviations(RSD) were 1.98%.The recoveries of PETN were range of 98%-100%.展开更多
基于3,7-二硝基-1,3,5,7-四氮杂双环[3.3.1]壬烷(DPT)在HNO3-N H4N O3及HNO3中两种硝解机理,分别通过实验和理论计算方法对NH+4在DPT硝解反应中的作用进行了研究。将三种不同的铵盐(NH4)2H PO4,(NH4)2SO4和CH3C O O N H4添加到硝解体系...基于3,7-二硝基-1,3,5,7-四氮杂双环[3.3.1]壬烷(DPT)在HNO3-N H4N O3及HNO3中两种硝解机理,分别通过实验和理论计算方法对NH+4在DPT硝解反应中的作用进行了研究。将三种不同的铵盐(NH4)2H PO4,(NH4)2SO4和CH3C O O N H4添加到硝解体系中,考察了NH+4对HM X产率的影响。结果表明,与NH4N O3的作用相似,以上三种铵盐可提高HM X产率,提高率分别为41.5%、37.4%和20.7%。在不同的HNO3-铵盐体系中,当N H+4与DPT的摩尔比接近10时,HM X的产率均达到最大值,分别为56.3%、52.2%和35.5%。对比了HNO3-铵盐和H N O3-硝酸盐体系中D PT硝解反应的结果,发现N H+4对HM X产率的提高起主导作用。采用密度泛函理论(DFT)对NH+4在DPT硝解反应过程中的作用机理进行了理论解释,得出HNO3/N H+4体系中D PT硝解反应的活化能为133.95 k J·m ol-1,低于HNO3体系中的376.73 k J·mol-1。展开更多
基金Project supported by the Science and Technology Foundation of Shaanxi Key Laboratory of Physico-inorganic Chemistry (No. 29-3,2001) and the Science and Technology Foundation of the National Defense Key Laboratory of Propellant and Explosive Combustion of
文摘Under linear temperature increase condition the thermal behavior and kinetic parameters of the exothermic first-stage decomposition reaction of the title compound were studied by means of DSC and TG-DTG. The empiri-cal kinetic model function in differential form, apparent activation energy and pre-exponential constant of this reac-tion are 0.122(1-)0.528, 216.4 kJ·mol-1 and 1020.51 s-1, respectively. The critical temperature of thermal explo-sion of the compound is 222.25 ℃. The values of SD, HD, and GD and of this reaction are 108.3 J·ol-1 K-1, 205.1 kJ·ol-1 and 151.4 kJ·ol-1, respectively.
基金Project supported by the Science and Technology Foundation of Shaanxi Key Laboratory of Physico-inorganic Chemistry (No. 29-3 2001) and the Science and Technology Foundation of the National Defense Key Laboratory of Propellant and Explosive Combustion
文摘The kinetic parameters of the exothermic decomposition reaction of the title compound in a tempera-ture-programmed mode have been studied by means of DSC. The empirical kinetic model function in differential form, apparent activation energy (Ea) and pre-exponential factor (A) of this reaction are (1-)0.222, 225.8 kJmol-1 and 1020.21 s-1, respectively. The critical temperature of thermal explosion of the compound is 224.9 ℃.
文摘Quantitative determination of tetranitro-pentaerythritol(PETN) was exploded by using HPLC-ESI MS.PETN was separated on the C18 column through reversed-phase high performance liquid chromatography with methanol-water(70 ∶30,by volume) as the mobile phase at a flow rate of 0.2 mL/min.Ultraviolet detection was performed at 225 nm.The base peak of PETN was adduct ion,[M-H+NO3]-.The calibration curve showed a linear range from 1.25 to 200 mg/L with correlation coefficient of 0.999 2.The limit of detection was 0.1 mg/L.The relative standard deviations(RSD) were 1.98%.The recoveries of PETN were range of 98%-100%.
基金We thank for Foundations supported by the Science and technology Foundation of Shaanxi Key Laboratory of Physico-Inorganic Chemistry(No.29-3,2001)the Science and Technology Foundation of the National Defense Key Laboratory of Propellant and Explosive Combustion of China(No.514550101).
文摘基于3,7-二硝基-1,3,5,7-四氮杂双环[3.3.1]壬烷(DPT)在HNO3-N H4N O3及HNO3中两种硝解机理,分别通过实验和理论计算方法对NH+4在DPT硝解反应中的作用进行了研究。将三种不同的铵盐(NH4)2H PO4,(NH4)2SO4和CH3C O O N H4添加到硝解体系中,考察了NH+4对HM X产率的影响。结果表明,与NH4N O3的作用相似,以上三种铵盐可提高HM X产率,提高率分别为41.5%、37.4%和20.7%。在不同的HNO3-铵盐体系中,当N H+4与DPT的摩尔比接近10时,HM X的产率均达到最大值,分别为56.3%、52.2%和35.5%。对比了HNO3-铵盐和H N O3-硝酸盐体系中D PT硝解反应的结果,发现N H+4对HM X产率的提高起主导作用。采用密度泛函理论(DFT)对NH+4在DPT硝解反应过程中的作用机理进行了理论解释,得出HNO3/N H+4体系中D PT硝解反应的活化能为133.95 k J·m ol-1,低于HNO3体系中的376.73 k J·mol-1。
