实验数据的非线性最小二来法计算机模拟

用非线性最小二乘法精确模拟一级动力学过程，从而求得在没有C∞（反应时间为无限大时反应物浓度）条件下，求得一级反应速率常数。用非线性最小二乘法和线性最小二乘法处理数据，结果表明，非线性最小二乘法的残差平方和较线性最小二乘法为小。本文还指出：非线性最小二乘法同样适用于物理化学方程中含有非线性参数之求算。

COMPUTER SIMULATION OF THEEXPERIMENTAL DATA USING THE NONLINEARLEAST SQUARES METHOD

The first-order reaction dynamic process was simulated in this paper by thenonlinear least squares method. The constant of reaction velocity can be obtained without theCoo, the concentration of reaction agent at infinite reaction time. The comparison betweenthe linear and the nonlinear least squares methods shows that a more accurate result can beobtained by using the nonlinear least squares method.