CAJ | 학술논문

运用分子设计理论合成了一种非对称双阳离子型离子液体1-（吡啶鎓基）-5-（1-甲基哌啶鎓）戊烷双三氟磺酰亚胺盐（[PyC5 Pi][NTf2]2），采用 IR 和1 H NMR 对其结构进行表征，使用非等温热重分析法、等转化率法和多元非线性回归法，研究了该离子液体的热稳定性、热分解动力学参数和热分解机理模型函数．结果表明，[PyC5 Pi][NTf2]2的热稳定性较好；等转化率法得到[PyC5 Pi][NTf2]2的平均活化能为160．10 kJ/mol，平均对数指前因子为9．17；多元非线性回归法得到该离子液体为 n 级自催化反应（Cn B），n ＝1．5926，Kcat ＝5．6027，对应的热分解机理模型函数为 f（α）＝（1-α）1．5926（1＋5．6027α），相应的活化能 E ＝169．71 kJ·mol -1，对数指前因子 lg A ＝9．59，与等转化率法得到的结果吻合．
운용분자설계이론합성료일충비대칭쌍양리자형리자액체1-（필정옹기）-5-（1-갑기고정옹）무완쌍삼불광선아알염（[PyC5 Pi][NTf2]2），채용 IR 화1 H NMR 대기결구진행표정，사용비등온열중분석법、등전화솔법화다원비선성회귀법，연구료해리자액체적열은정성、열분해동역학삼수화열분해궤리모형함수．결과표명，[PyC5 Pi][NTf2]2적열은정성교호；등전화솔법득도[PyC5 Pi][NTf2]2적평균활화능위160．10 kJ/mol，평균대수지전인자위9．17；다원비선성회귀법득도해리자액체위 n 급자최화반응（Cn B），n ＝1．5926，Kcat ＝5．6027，대응적열분해궤리모형함수위 f（α）＝（1-α）1．5926（1＋5．6027α），상응적활화능 E ＝169．71 kJ·mol -1，대수지전인자 lg A ＝9．59，여등전화솔법득도적결과문합．
Asymmetrical dicationic ionic liquid 1-(1-pyridinium-1-yl)pentane-(1-methylpiperidinium)bi [bis(trifluoromethanesulfonyl)imide]([PyC5 Pi][NTf2 ]2 )was prepared through molecular design theo-ry,and its structure was characterized with IR and 1 H NMR.The thermal stability,thermal decomposition kinetic parameters and thermal decomposition mechanism model function of the ionic liquid were studied by using non-isothermal thermogravimetric analysis method,equal-transition ratio method and multivariate non-linear-regression method.The results showed that the thermal stability of the[PyC5 Pi][NTf2 ]2 was better.According to equal-transition ratio method,the average activation energy and average pre-exponen-tial factor of[PyC5 Pi][NTf2 ]2 were 160.10 kJ/mol and 9.17 respectively.Multivariate non-linear-regres-sion method indicated that the ionic liquid was n-tier autocatalytic reaction(Cn B),n =1.592 6,Kcat =5.602 7,corresponding to the thermal decomposition mechanism model function f(α)=(1 -α)1.592 6 (1 +5.602 7α),E =169.71 kJ·mol -1 ,lg A =9.59,respectively.The results were consistent with that of equal-transition ratio method .