摘要
采用热重-差示扫描量热法(TG-DSC)和气相色谱-质谱法(GC-MS),分别研究过氧化二异丙苯(DCP)的热分解特性和热分解产物,采用热重-红外光谱(TG-FTIR),测定程序升温过程中生成的气相产物,采用热解-同步辐射研究热解过程中的中间产物,并通过密度泛函理论DFT-B3LYP/6-311G(d,p)计算,研究探讨DCP的热分解性能及其机理。研究结果表明,常压下DCP受热均裂产生异丙苯氧自由基,进而通过自由基间分解或相互结合产生α-甲基苯乙酮、α,α-二甲基苄醇、甲烷、乙烷等主要产物以及三甲基苯甲醇、甲基苯乙酮等微量产物。
The decomposition properties and products of dicumyl peroxide （DCP） were investigated respectively by means of thermal gravimetry-differential scanning calorimetry （TG-DSC） and gas chromatography-mass spectrum （GC-MS）. The decomposi- tion products of DCP in gas phase and the decomposition intermediate products were studied respectively by thermal gravimetry-FT- IR spectroscopy with programmed temperature mode and thermal-tunable synchrotron radiation. Finally, some theoretical data were calculated by DFT-B3LYP/6-311 G（ d, p） method. According to the experimental results and the theoretical data, the thermal de- composition properties and mechanism of DCP were analyzed. The results show that the homolysis of O-O bond of DCP gave rise to the formation of two cumyloxy radicals for each molecule of DCP under atmospheric pressure, subsequently the main products, such as ot-acetophenone,α, α-phenyl dimethyl carbinol, methane, ethane, as well as the trace products, such as trimethyl-benzene metha- nol, methyl aceetophenone ,were formed by the combination between radicals or scission of radicals.
出处
《固体火箭技术》
EI
CAS
CSCD
北大核心
2013年第1期73-78,共6页
Journal of Solid Rocket Technology
基金
国防973项目(613142)
关键词
过氧化二异丙苯
热分解
密度泛函理论
dicumyl peroxide
thermal decomposition
density functional theory
