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Theoretical and experimental studies on the thermal decomposition of 1-butyl-3-methylimidazolium dibutyl phosphate
Journal of Loss Prevention in the Process Industries ( IF 3.6 ) Pub Date : 2020-05-07 , DOI: 10.1016/j.jlp.2020.104162
Shunchao Li , Huichun Jiang , Min Hua , Xuhai Pan , Hangchen Li , Xinxin Guo , Han Zhang

Ionic liquid, an organic molten salt, has efficient flame-retardant performance. Few researchers have attempted to study its flame-retardant mechanism. Moreover, thermal stability and pyrolysis products have a great impact on the flame retardancy. Therefore, this paper focused on the phosphate ionic liquid of 1-butyl-3-methylimidazolium dibutyl phosphate ([Bmim][DBP]) and analyzed its thermal decomposition products and characteristics. The major bond energies of [Bmim][DBP] were calculated using B3LYP/6–311++G(d,p)//M06–2X/6–311++G(d,p) level. The experimental results show that the pyrolysis products were as followed: alkane or alkene with a carbon chain length of 1–4; imidazole and its derivatives; esters. Furthermore, Gas chromatography-mass spectrometer and Fourier transform infrared spectrometer were utilized to measure the gaseous products and solid phase products of [Bmim][DBP], which were obtained during thermogravimetric analysis. The results of theoretical and experimental analysis were highly consistent. Finally, the possible flame-retardant mechanism of [Bmim][DBP] was proposed.



中文翻译:

1-丁基-3-甲基咪唑鎓磷酸二丁酯热分解的理论和实验研究

离子液体,一种有机熔盐,具有高效的阻燃性能。很少有研究人员尝试研究其阻燃机理。此外,热稳定性和热解产物对阻燃性有很大影响。因此,本文重点研究了1-丁基-3-甲基咪唑鎓二丁基磷酸酯([Bmim] [DBP])的磷酸根离子液体,并分析了其热分解产物和特性。[Bmim] [DBP]的主要键能是使用B3LYP / 6–311 ++ G(d,p)// M06–2X / 6–311 ++ G(d,p)水平计算的。实验结果表明,热解产物如下:碳链长度为1-4的烷烃或烯烃;咪唑及其衍生物;酯。此外,利用气相色谱-质谱仪和傅里叶变换红外光谱仪测量在热重分析中获得的[Bmim] [DBP]的气态产物和固相产物。理论和实验分析的结果高度一致。最后,提出了[Bmim] [DBP]可能的阻燃机理。

更新日期:2020-05-07
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