摘要
The thermal decomposition of 2-(4-methoxycarbonylphenyl)-5-nitryl-6-hydroxybenzoxazole(MNB) in N2 atmosphere was studied by thermogravimetry(TG) and differential thermogravimetry(DTG).It is a sequential process.The molecular bond orders were calculated by GAMESS method and the IR spectra of MNB and its intermediates in thermal decomposition at various temperatures were determined.The mechanism of the thermal decomposition has been discussed,the C-N bond breakdown and the nitro group elimination occurred in the initial step of the decomposition.The thermal decomposition kinetic parameters such as apparent activation energy E=115.5kJ·mol-1,pre-exponential factor A = 1.698×1010 min-1 and apparent reaction order n = 0 were obtained according to test data.
The thermal decomposition of 2-（4-methoxycarbonylphenyl）-5-nitryl-6- hydroxybenzoxazole （MNB） in N2 atmosphere was studied by thermogravimetry （TG） and differential thermogravimetry （DTG）. It is a sequential process. The molecular bond orders were calculated by GAMESS method and the IR spectra of MNB and its intermediates in thermal decomposition at various temperatures were determined. The mechanism of the thermal decomposition has been discussed, the C-N bond breakdown and the nitro group elimination occurred in the initial step of the decomposition. The thermal decomposition kinetic parameters such as apparent activation energy E = 115.5kJ·mol^-1 , pre-exponential factor A = 1. 698 × 10^10 min^-1 and apparent reaction order n = 0 were obtained according to test data.
出处
《化学研究与应用》
CAS
CSCD
北大核心
2008年第4期469-474,共6页
Chemical Research and Application
基金
江苏省科技攻关重大项目(BE2006077)
浙江省大学生科技创新项目资助
