The verification of the estimation of transport and sorption parameters in the MATLAB environment. Column test

Abstract

Mathematical modelling of the migration of pollutants in the groundwater environment requires knowledge of the values of transport and sorption parameters. The aim of this study was 1) to determine the values of advection, dispersion and sorption parameters of selected tracers that are transported through a porous medium, and 2) to verify the applied parameters estimation procedure. The authors examined the migration of a solution containing conservative and reactive tracers (chloride, nitrate, lithium and ammonium ions) through a sample of medium sand. The soil sample for the column test was taken from an aquifer near the Tursko groundwater intake (Wielkopolska province, Poland). The parameter estimation procedure, conducted in the MATLAB environment, included the numerical solution of the differential equations of transport and sorption, and the application of the numerical optimization method. During the identification, the authors tested twelve mathematical models including the advection-dispersion model, as well as single and hybrid (i.e. two-site) sorption models. The authors made a comparison of parameter values obtained by means of the global and local optimization method. The fitting quality was assessed by calculating the root mean square error RMSE and correlation coefficient r. As a result of the research, the authors determined the values of the advection-dispersion parameters: hydraulic conductivity k, effective porosity ne, and longitudinal dispersivity α. The authors found out that the nature of lithium ions migration is best captured by the single sorption model (equilibrium sorption), whereas the nature of ammonium ions migration is by the hybrid model with irreversible sorption. Lithium ions on the tested soil revealed low sorption intensity, ammonium ions showed medium intensity, while nitrate ions were transported at the same rate as chloride ions, exhibiting no retardation. The verification of parameter estimation in the MATLAB environment was carried out by comparing it against the alternative, well-known and often tested method, based on analytical solutions of the transport and sorption equation, combined with optimization within the FIELD and KLUTE-STEP programmes.