论文部分内容阅读
介绍了采用非线性最小二乘方法回归乙烯深度氧化反应动力学方程。用高斯-牛顿法求解非线性最小二乘方程组,并推导出简单、适用的迭代公式。针对Gauss-Newton法的局部收敛问题,提出:(1)以任意组合的实验值代入回归方程,求得回归参数作为迭代初值;(2)对不同迭代初值所得的结果择优,作为最终结果。实例计算表明,该方法可以有效地回归Langmuir- Hinshelwood型动力学方程,为乙烯深度氧化反应的研究提供依据。
The kinetic equation for the deep oxidation of ethylene is introduced using the non-linear least squares method. Solving nonlinear least squares equations by Gauss - Newton method and deriving simple and suitable iterative formulas. Aiming at the local convergence problem of Gauss-Newton method, this paper puts forward: (1) The regression equation is substituted into the experimental data of any combination, and the regression parameter is obtained as the iterative initial value; (2) The results obtained from the initial values of different iterations are optimized as the final result . The calculation results show that this method can effectively return to the Langmuir-Hinshelwood kinetic equation and provide a basis for the further study of ethylene oxidation.