多变量化学动力学经验方程的非线性参数优化及程序

Optimization of nonlinear parameters for multi-variables chemical kinetic experimental equation and its program

提出多变量化学动力学经验方程的非线性参数的直接最小二乘法优化和数值积分最小二乘法优化的方法。编制了FORTRAN77计算机程序CHKI·FOR。

The scheme of optimizing nonlinear parameters in multi variables chemical kinetic experimental equation is presented,using simple least square method or numerical integration least square method.Based on the scheme a FORTRAN 77 program CHKI.FOR is written.The method of simple least square optimization is suited for regressing of chemical kinetic differential equation and kinetic integral equation.The method of numerical integration least square optimization is suited for regressing of chemical kinetic differential equation.These methods are good for complex chemical reactional system with several variables. By program CHKI.FOR,the option ranges of starting values of parameters are wide and the convergence speed is fast.