Theoretical and experimental studies on the thermal decomposition of 1-butyl-3-methylimidazolium dibutyl phosphate

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...

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Bibliographic Details
Published in:Journal of loss prevention in the process industries 2020-05, Vol.65, p.104162, Article 104162
Main Authors: Li, Shunchao, Jiang, Huichun, Hua, Min, Pan, Xuhai, Li, Hangchen, Guo, Xinxin, Zhang, Han
Format: Article
Language:English
Subjects:
[Bmin][DBP]
Flame retardant
Ionic liquid
Mechanism
Pyrolysis product
Thermal decomposition
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Summary: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. •The bond energy of [Bmim][DBP] was calculated using B3LYP/6–311++G(d,p).//M06–2X/6–311++G(d,p).•Gas chromatography-mass spectrometer was utilized to measure the gaseous products of [Bmim][DBP].•Fourier transform infrared spectrometer was utilized to analyze solid phase products of [Bmim][DBP].•The results of theoretical and experimental analysis were highly consistent.•The possible flame-retardant mechanism of [Bmim][DBP] was proposed.
ISSN:0950-4230
DOI:10.1016/j.jlp.2020.104162