Abstract: We developed a methodology that constructs an optimization function through numerical integration of reaction rate equations, employing nonlinear least-square fitting to reconcile computational predictions with experimental kinetic data. This integrated approach enables simultaneous determination of kinetic parameters with enhanced accuracy and efficiency. Implementation procedures are systematically demonstrated through case studies of both simple and complex reaction systems. The proposed method serves as an effective instructional tool for kinetic theory education and experimental data processing, while cultivating students’ competencies in applying mathematical modeling to solve chemical kinetic challenges.

Key words: Kinetic parameters, Ordinary differential equation, Numerical integration, Least-square method