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MODELLING OF ELUTION TESTS WITH THE ICP INTERFACE BETWEEN COMSOL AND PHREEQC
Session: Physical and Numerical Modelling / Modélisation physique et numérique
François Duhaime, École de technologie supérieure (Canada)
Céline Rep, École de technologie supérieure (Canada)
Jean-Sébastien Dubé, École de technologie supérieure (Canada)
The iCP interface allows the coupling of Phreeqc, a geochemical modelling code, and COMSOL, a finite element solver, for the modelling of reactive transport in soils. With the iCP interface, the equations describing the transport of chemical species in pore water are first solved in COMSOL. The updated chemical analyses for each cell are then sent to Phreeqc for thermodynamic equilibrium and kinetics calculations. In this paper, the iCP interface was tested by modelling a series of laboratory tests conducted with a natural soil (calcareous sand). These tests included a batch test where a solution of lead, copper, cadmium and zinc nitrates was put in contact with the soil, a conservative tracer test with bromide and an elution test with the same metal nitrates as for the batch test. For the batch and elution tests, Phreeqc was used to model the dissolution of calcite in the soil and the precipitation of metal carbonates. COMSOL was used to model solute transport for the tracer and elution tests. This paper is centered on a coupling between hydrodynamic and geochemical phenomena, but iCP could also be applied to multiphysics models involving mechanical (e.g., cementation) and thermal (e.g., heat produced by chemical reactions) equations.
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