- 作者: 徐抗震, 馬海霞, 宋紀蓉, 黃潔, 任瑩輝, 胡榮祖
- 作者服務機構: College of Chemical Engineering/Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi’an 710069, P. R. China
- 中文摘要: NaNTO·H2O was prepared by mixing 3-nitro-1,2,4-triazol-5-one (NTO) aqueous solution and sodium hydroxide aqueous solution. Its thermal decomposition and kinetics were studied under non-isothermal conditions by DSC and TG/DTG methods. The kinetic parameters were obtained from analysis of the DSC and TG/DTG curves by the Kissinger method, the Ozawa method, the differential method and the integral method. The most probable mechanism function for the thermal decomposition of the first stage was suggested by comparing the kinetic parameters. The critical temperature of thermal explosion (Tb) was 240.93 °C. The theoretical investigation on the structure unit of the title compound was carried out by DFT-B3LYP/CEP-31G methods; atomic net charges and the population analysis were discussed.
- 英文摘要: --
- 中文關鍵字: 3-Nitro-1,2,4-triazol-5-one (NTO); Sodium salt; Thermal decomposition kinetics; Theoretical calculation.
- 英文關鍵字: --