DIFS—a modelling and simulation tool for DGT induced trace metal remobilisation in sediments and soils

Abstract

The technique of Diffusive Gradients in Thin-films (DGT) can measure in situ fluxes of trace metals in sediments. Interpretation of these measurements requires a numerical model of trace metal reaction and transport in sediments. The DIFS (DGT Induced Fluxes in Sediments) model has permitted quantitative interpretation of DGT measurements in terms of fundamental kinetic and equilibrium resupply parameters. DIFS is here further refined and developed into a software tool which both simulates temporal and spatial changes in concentrations of trace metals in solid and solution phases in sediments during in situ DGT deployments, and estimates resupply parameters from experimental data. The basis of the DIFS model is a pair of linked parabolic PDEs describing dissolved and sorbed trace metal concentrations in the sediment and DGT device. These are solved by the Method of Lines using standard ODE solvers. The solutions are processed to obtain the DGT response. The use of the software, in particular the format of the text file containing input parameters, is described. Illustrative examples of the type of behaviour predicted for DGT by DIFS are provided.