物理化学学报 >> 1986, Vol. 2 >> Issue (01): 13-21.doi: 10.3866/PKU.WHXB19860103

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用单一非等温DSC曲线确定2,6-二硝基苯酚热分解反应的最可几机理函数和动力学参数

杨正权; 胡荣祖*; 梁燕军; 李向东   

  1. 西安近代化学研究所
  • 收稿日期:1984-11-16 修回日期:1985-10-04 发布日期:1986-02-15
  • 通讯作者: 胡荣祖

THE DETERMINATION OF MOST PROBABLE MECHANISM FUNCTION AND KINETIC PARAMETERS OF THERMAL DECOMPOSITION OF 2,6-DINITROPHERNCI BY A STNGLE NON-ISOTHERMAL DSC CURVE

Yang Zhengquan; Hu Rongzu*; Liang Yanjun; Li Xiangdong   

  1. Xian Modern Chemistry Research Institute
  • Received:1984-11-16 Revised:1985-10-04 Published:1986-02-15
  • Contact: Hu Rongzu

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摘要： 本文用自行设计加工的耐压不锈钢密封池在CDR-1型差动热分析仪上测得的一条DSC曲线, 利用计算非等温动力学的积分方程和微分方程拟合四组实验数据, 逻辑选择确定2,6-二硝基苯酚在分解深度为0.007-0.66范围内的热分解反应的最可几数学模式为F(α)=α。用放热速率方程算得其热分解反应的级数为零, 其表观活化能、指前因子的测量真值分别为134±9 k Jmol~(-1)、10~(9.17±0.77)S~(-1)。积分方程逻辑选择求得的表观活化能和指前因子的测量真值相应为133±8 kJmol~(-1)和10~(9.01±0.79)S~(-1)。微分方程逻辑选择求得的表观活化能和指前因子的测量真值相应为134±8 kJmol~(-1)和10~(9.10±0.63)S~(-1)。三者吻合良好。

Abstract: Under linear temperature increase condition thermal behaviors, mechanismfunction and kinetic parameters of thermal decomposition of 2,6-dinitrophenol obtained with a model CDR-1 instrument with the sealed cell of stainless steel are reported. The data are fitted to the integral, differential and exothermic rate equations by linear least-squares, iterative, combined dichotomous and leastsquares methods, respectively. The apparent activation energy, pre-exponential constant, reaction order and probable mechanism function (integral form) of thermal decomposition reaction of 2,6-dinitrophenol obtained by the logical choice method are 134±9 kJ mol~(-1), 10~(9.17±0.77)s~(-1), 0, and a respectively.