A novel energetic combustion catalyst, 4-amino-3,S-dinitropyrazole copper salt （[Cu（adnp）2（H2O）2]）, was synthesized in a yield of 93.6% for the first time. The single crystal of [Cu（adnp）2（H2O）2] was determi...A novel energetic combustion catalyst, 4-amino-3,S-dinitropyrazole copper salt （[Cu（adnp）2（H2O）2]）, was synthesized in a yield of 93.6% for the first time. The single crystal of [Cu（adnp）2（H2O）2] was determined by single crystal X-ray diffraction. It crystallizes in a triclinic system, space group p^-1 with crystal parameters a = 5.541（3） A, b = 7.926（4） A, c = 10.231（5） A,β = 101.372（8）°, V = 398.3（3） A3, Z = 1, μ = 1.467 mm^-1, F（0 0 0） = 243, and Dc = 2.000 g cm^-3. The thermal behavior and non-isothermal decomposition reaction kinetics of [Cu（adnp）2（H2O）2] were studied by means of different heating rate differential scanning calorimetry （DSC）. The kinetic equation of major exothermic decomposition reaction for [Cu（adnp）2（H2O）2] was obtained. The entropy of activation （△S≠）, enthalpy of activation （△H≠）, free energy of activation （△G≠）, the self-accelerating decomposition temperature （TSADT） and the critical temperature of thermal explosion （Tb） are 59.42 j mol^-1 K^-1, 169.5 kJ mol^-1, 1141.26 kJ mol ^-1 457.3 K and 468.1 K, respectively.展开更多
A novel energetic combustion catalyst, 1,8-dihydroxy-4,5-dinitroanthraquinone manganese salt （DHDNEMn）, was synthesized by virtue of the metathesis reaction in a yield of 91%, and its structure was characterized by ...A novel energetic combustion catalyst, 1,8-dihydroxy-4,5-dinitroanthraquinone manganese salt （DHDNEMn）, was synthesized by virtue of the metathesis reaction in a yield of 91%, and its structure was characterized by IR, element analysis and differential scanning calorimetry（DSC）. The thermal decomposition reaction kinetics was studied by means of different heating rate DSC. The results show that the apparent activation energy and pre-exponential factor of the exothermic decomposition reaction of DHDNEMn obtained by Kissinger＇s method are 162.3 kJ/mol and 1011.8 s^-1, respectively. The kinetic equation of major exothermic decomposition reaction of DHDNEMn is dα/dT= 10^118/β 2/5（1-α）[-ln（1-α）[-ln（1-α）]^3/5 exp（-1.623×10^5/RT）. The entropy of activation（△S^≠）, enthalpy of activation（△H^≠） and free energy of activation（A△G^≠） of the first thermal decomposition are -24.49 J·mol^-1·K^-1, 185.20 kJ/mol and 199.29 kJ/mol（T=575.5 K）, respectively. The self-accelerating decomposition temperature（TSADT） and critical temperature of thermal explosion（Tb） are 562.9 and 580.0 K, respectively. The above-mentioned information on the thermal behavior is quite useful for analyzing and evaluating the stability and thermal safety of DHDNEMn.展开更多
基金the National Science Foundation of China(No.21173163 and No. 21303133)
文摘A novel energetic combustion catalyst, 4-amino-3,S-dinitropyrazole copper salt （[Cu（adnp）2（H2O）2]）, was synthesized in a yield of 93.6% for the first time. The single crystal of [Cu（adnp）2（H2O）2] was determined by single crystal X-ray diffraction. It crystallizes in a triclinic system, space group p^-1 with crystal parameters a = 5.541（3） A, b = 7.926（4） A, c = 10.231（5） A,β = 101.372（8）°, V = 398.3（3） A3, Z = 1, μ = 1.467 mm^-1, F（0 0 0） = 243, and Dc = 2.000 g cm^-3. The thermal behavior and non-isothermal decomposition reaction kinetics of [Cu（adnp）2（H2O）2] were studied by means of different heating rate differential scanning calorimetry （DSC）. The kinetic equation of major exothermic decomposition reaction for [Cu（adnp）2（H2O）2] was obtained. The entropy of activation （△S≠）, enthalpy of activation （△H≠）, free energy of activation （△G≠）, the self-accelerating decomposition temperature （TSADT） and the critical temperature of thermal explosion （Tb） are 59.42 j mol^-1 K^-1, 169.5 kJ mol^-1, 1141.26 kJ mol ^-1 457.3 K and 468.1 K, respectively.
基金Supported by the National Natural Science Foundation of China（Nos.21173163, 21303133）.
文摘A novel energetic combustion catalyst, 1,8-dihydroxy-4,5-dinitroanthraquinone manganese salt （DHDNEMn）, was synthesized by virtue of the metathesis reaction in a yield of 91%, and its structure was characterized by IR, element analysis and differential scanning calorimetry（DSC）. The thermal decomposition reaction kinetics was studied by means of different heating rate DSC. The results show that the apparent activation energy and pre-exponential factor of the exothermic decomposition reaction of DHDNEMn obtained by Kissinger＇s method are 162.3 kJ/mol and 1011.8 s^-1, respectively. The kinetic equation of major exothermic decomposition reaction of DHDNEMn is dα/dT= 10^118/β 2/5（1-α）[-ln（1-α）[-ln（1-α）]^3/5 exp（-1.623×10^5/RT）. The entropy of activation（△S^≠）, enthalpy of activation（△H^≠） and free energy of activation（A△G^≠） of the first thermal decomposition are -24.49 J·mol^-1·K^-1, 185.20 kJ/mol and 199.29 kJ/mol（T=575.5 K）, respectively. The self-accelerating decomposition temperature（TSADT） and critical temperature of thermal explosion（Tb） are 562.9 and 580.0 K, respectively. The above-mentioned information on the thermal behavior is quite useful for analyzing and evaluating the stability and thermal safety of DHDNEMn.
