摘要
利用非等温热重分析法(TG),研究了高纯氮气气氛下1-丁基-3-甲基咪唑四氟硼酸盐([bmim][BF4])的热分解动力学及机理函数。采用等转化率法和多元非线性回归法测定了[bmim][BF4]的热分解动力学。等转化率法表明[bmim][BF4]的活化能为E和指前因子logA分别为:198 kJ/mol和11.94 s-1。多元非线性回归法表明[bmim][BF4]的热分解机理模型函数为:n级自催化反应(Cn),反应级数为n=1.1426,所对应的机理模型函数为fα=1-α1.14261+1.0024α,指前因子logA和活化能E分别11.18 s-1和188 kJ/mol。另外,等转化率法和多元非线性回归法测得的活化能与量子化学计算法得到的活化能值均相吻合。
Thermal decomposition kinetics and mechanism function of 1-butyl-3-methylimidazolium tetrafluoroborate（[bmim][BF4]） were investigated using non-isothermal thermogravimetric analysis（TG） under the atmosphere of highly pure nitrogen.The decomposition kinetics of [BF4] was estimated with both iso-conversion and multivariate non-linear-regression methods.Iso-conversion method showed that the activation energy E and logarithmic pre-exponential factor A were about 198 kJ/mol and 11.94 s～（-1）,respectively.Multivariate non-linear-regression method showed that the nth order reaction with auto catalysis model（Cn） was the best fit model,and the reaction order of Cn model was 1.1426.The function f（α） in Cn was fα=1-α～（1.1426）1＋1.0024～α.The log A and E of Cn model were（11.18 s～（-1）） and 188 kJ/mol,respectively.Additionally,the measured activation energies by iso-conversion method and multivariate non-linear-regression method were compared with the value obtained from quantum chemical calculation.
出处
《化学世界》
CAS
CSCD
北大核心
2010年第10期594-597,619,共5页
Chemical World
基金
国家自然科学基金资助项目(20877022)
