SCI和EI收录∣中国化工学会会刊

Chinese Journal of Chemical Engineering ›› 2015, Vol. 23 ›› Issue (5): 816-821.DOI: 10.1016/j.cjche.2014.07.005

• 化工热力学 • 上一篇    下一篇

Crystal structure and thermal decomposition kinetics of 1-(pyridinium-1-yl)propane-(1-methylpiperidinium) bi[bis(trifluoromethanesulfonyl)imide], [PyC3Pi][NTf2]2

Jun Wang, Manman Wang, Xuzhao Yang, Wenyuan Zou, Xiang Chen   

  1. Henan Provincial Key Laboratory of Surface & Interface Science, Zhengzhou University of Light Industry, Henan 450001, China
  • 收稿日期:2014-02-20 修回日期:2014-07-07 出版日期:2015-05-28 发布日期:2015-06-26
  • 通讯作者: Jun Wang
  • 基金资助:

    Supported by the National Natural Science Foundation of China (21176228), the National Key Technology Support Program of China (2013BAC01B04) and the Science and Technology Research Projects of Zhengzhou City (141PQYJS555).

Crystal structure and thermal decomposition kinetics of 1-(pyridinium-1-yl)propane-(1-methylpiperidinium) bi[bis(trifluoromethanesulfonyl)imide], [PyC3Pi][NTf2]2

Jun Wang, Manman Wang, Xuzhao Yang, Wenyuan Zou, Xiang Chen   

  1. Henan Provincial Key Laboratory of Surface & Interface Science, Zhengzhou University of Light Industry, Henan 450001, China
  • Received:2014-02-20 Revised:2014-07-07 Online:2015-05-28 Published:2015-06-26
  • Contact: Jun Wang
  • Supported by:

    Supported by the National Natural Science Foundation of China (21176228), the National Key Technology Support Program of China (2013BAC01B04) and the Science and Technology Research Projects of Zhengzhou City (141PQYJS555).

摘要: The structure of a room temperature asymmetrical dicationic ionic liquid (ADIL), 1-(pyridinium-1-yl) propane-(1-methylpiperidinium) bi[bis(trifluoromethanesulfonyl)imide] ([PyC3Pi][NTf2]2), was studied by the X-ray diffraction method.Meanwhile, thermal analysis of [PyC3Pi][NTf2]2 was also studied using non-isothermal thermogravimetric analysis (TGA). The title crystal belongs to the triclinic with space group P1 and unit-cell parameters a=0.95217 (8) nm, b=1.05129 (11) nm, c=1.70523 (14) nm, α=89.759 (8)°, β=80.657 (7)°, γ=68.007 (9)°, and F(000) = 792. Thermal stability and thermal decomposition kinetics of the title compound were also investigated using TGA under the atmosphere of highly pure nitrogen. Heating curves at different rates were correlated with kinetic equations Friedman and ASTM (also called iso-conversion method). The values of average activation E (kJ·mol-1) and pre-exponential constant lgA are 149.58 kJ·mol-1 and 8.83, respectively, which were obtained by the two methods. The kinetic model function, activation energy and pre-exponential constant of this reaction using the multivariate non-linear-regression method were f(α)=(1-α)(1+4.1870α), 151.04 kJ·mol-1 and 8.81, respectively, which were basically consistent with iso-conversion methods.

关键词: Asymmetrical dicationic ionic liquid, Crystal structure, Decomposition kinetics

Abstract: The structure of a room temperature asymmetrical dicationic ionic liquid (ADIL), 1-(pyridinium-1-yl) propane-(1-methylpiperidinium) bi[bis(trifluoromethanesulfonyl)imide] ([PyC3Pi][NTf2]2), was studied by the X-ray diffraction method.Meanwhile, thermal analysis of [PyC3Pi][NTf2]2 was also studied using non-isothermal thermogravimetric analysis (TGA). The title crystal belongs to the triclinic with space group P1 and unit-cell parameters a=0.95217 (8) nm, b=1.05129 (11) nm, c=1.70523 (14) nm, α=89.759 (8)°, β=80.657 (7)°, γ=68.007 (9)°, and F(000) = 792. Thermal stability and thermal decomposition kinetics of the title compound were also investigated using TGA under the atmosphere of highly pure nitrogen. Heating curves at different rates were correlated with kinetic equations Friedman and ASTM (also called iso-conversion method). The values of average activation E (kJ·mol-1) and pre-exponential constant lgA are 149.58 kJ·mol-1 and 8.83, respectively, which were obtained by the two methods. The kinetic model function, activation energy and pre-exponential constant of this reaction using the multivariate non-linear-regression method were f(α)=(1-α)(1+4.1870α), 151.04 kJ·mol-1 and 8.81, respectively, which were basically consistent with iso-conversion methods.

Key words: Asymmetrical dicationic ionic liquid, Crystal structure, Decomposition kinetics