Summary: An undisturbed soil-column infiltrating experiment is investigated, and a mathematical model describing multi-components solutes transport behaviors in the column is put forward by combing hydro-chemical analysis with advection dispersion mechanisms, which is a group of advection-dispersion-reaction partial differential equations. Since the model involving six reaction coefficients which can not be obtained directly, an optimal perturbation regularization algorithm of determining these parameters is performed, and numerical simulations under different conditions are carried out. Furthermore, the inversion algorithm is applied to solve the real inverse problem by utilizing the measured breakthrough data. The reconstruction data basically coincide with the measured data showing that the inversion algorithm is efficient to the inverse problem of determining multi-parameters in a group of advection-dispersion equations arising in solutes transportation. The model and the inversion coefficients can be utilized to describe the experimental process and the experimental result.