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以大量实验数据为基础在Maple平台上运用最小二乘法,估算了气相苯加氢反应中反应速率常数及苯的吸附平衡常数,结果较为满意;并且估算了CO与Cl_2在活性炭表面上催化合成光气的反应中动力学的最优参数,计算值与实验值的最大相对误差不超过5%;最后推算了NO与H_2反应的反应速度方程式,计算值与文献值很相似。应用这种方法既克服手工计算的繁琐、工作量大的缺点,还能提高计算的精度,大大地方便了化学反应速率式的确定。
Based on a large number of experimental data, the least square method was used on the Maple platform to estimate the reaction rate constant and benzene adsorption equilibrium constant in the hydrogenation reaction of benzene in gaseous phase. The results are satisfactory. And the catalytic synthesis of CO and Cl_2 on activated carbon surface is estimated The maximum relative error between calculated and experimental values is not more than 5%. Finally, the reaction rate equation between NO and H 2 is deduced, and the calculated value is very similar to the literature value. Application of this method not only overcome the cumbersome manual calculation, the workload of large shortcomings, but also improve the accuracy of the calculation, which greatly facilitates the chemical reaction rate determination.