Prognose der Sorptionskinetik organischer Schadstoffe in heterogenem Aquifermaterial

A model for the simulation of kinetic sorption processes in heterogeneous aquifer material is presented. Sorption kinetics is responsible for the long persistence of many organic contaminants in the subsurface. Therefore, reliable model predictions of these processes are of major importance concerning, for instance, the design of efficient remediation strategies. The modeling approach presented here recognizes sorption kinetics as retarded diffusion within the intra-particle pore space and, in particular, takes into account the sedimentological and petrographical composition of the aquifer material. This is in accordance with results from laboratory experiments quantifying sorption/desorption processes. For solving the model equations a finite-difference scheme is applied which incorporates several features proven to be relevant in practical model applications (mass balance, flexible choice of boundary conditions, easy handling). The simulation results shown here focus on the impact of aquifer heterogeneity (lithological composition, grain size distribution) on sorption and desorption kinetics of organic contaminants. Furthermore, this approach can be straightforwardly coupled to existing software for simulating multi-dimensional solute transport.