MODELLING OF ELUTION TESTS WITH THE ICP INTERFACE BETWEEN COMSOL AND PHREEQC

François Duhaime, Céline Rep, Jean-Sébastien Dubé

In the proceedings of: GeoQuébec 2015: 68th Canadian Geotechnical Conference & 7th Canadian Permafrost Conference

Session: Physical and Numerical Modelling / Modélisation physique et numérique

ABSTRACT: 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 the iCP interface could also be applied to multiphysics models involving mechanical (e.g., cementation) and thermal (e.g., heat produced by chemical reactions) equations.

RÉSUMÉ: solveur s finis, pour la modélisation du transport réactif dans les soles équations décrivant le transport des espèces chimiques es avec COMSOL. Les analyses chimiques pour chaque cellule sont ensuite transmises vers e en réalisés avec un sol naturel (sable calcaire). Ces essais incluent un essai en bécher durant lequel une solution de nitrates de plomb, cuivre, cadmium et zinc a été mise en contact avec le sol, un essai de traçage au bromure et avec les mêmes nitrates de métaux . utilisé pour modéliser la dissolution de la calcite et la précipitation des carbonates de métaux. COMSOL a été utilisé pour Cet article est centré sur un couplage entre dCP pourrait aussi être utilisée pour des modèles couplés impliquant des équations mécaniques (ex. cimentation) et thermiques (ex. chaleur produite par des réactions chimiques).

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Cite this article:
François Duhaime; Céline Rep; Jean-Sébastien Dubé (2015) MODELLING OF ELUTION TESTS WITH THE ICP INTERFACE BETWEEN COMSOL AND PHREEQC in GEO2015. Ottawa, Ontario: Canadian Geotechnical Society.

@article{569,author = François Duhaime; Céline Rep; Jean-Sébastien Dubé,title = MODELLING OF ELUTION TESTS WITH THE ICP INTERFACE BETWEEN COMSOL AND PHREEQC,year = 2015}