热分析是一类分析方法的总称.这类分析法是测量被试样品,在一定的温度程序条件下,发生的物理或化学变化的方法.

Using 3-amino-1,2,4-triazole as starting material, anew energetic compound, 4-nitro-2-(1-nitro-1,2,4-triazole-3-yl)-1,2,3-triazole(DNDTz),was synthesized via diazotisation, substitution, intramolecular cycliccondensation and nitration with a yield of 25.02%. The structure ofintermediates and target product was confirmed by IR, ¹HNMR, ¹³CNMR, mass spectrum and elemental analysis. The thermal behavior of DNDTz wasstudied by using differential scanning calorimetry(DSC) and thermogravimetry(TG). The results show that DNDTz is directly decomposed in solid withoutchanging into liquid by heating. The exothermic decomposition peak temperatureof DNDTz is 160.8℃. Its thermal decomposition processcan be divided into three stages with mass loss of 13.50%, 52.39% and 27.15%,respectively. The optimized geometry of DNDTz were performed by the B3PW91/6-31G(d,p)method. The stable structure, bond order, thermodynamic properties and thetemperatures dependence on thermodynamic parameters of DNDTz were obtained. Thecrystal density of DNDTz obtained by Monte-Carlo and Politzer′s correlation is 1.812g/cm³. The detonation velocity ofDNDTz predicted by VLW formula is 8.604km/s.