MIN3P
The Reactive Transport Code MIN3P: Multicomponent reactive transport modeling in variably saturated porous media

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MODELING CAPABILITIES:

MIN3P is a general purpose flow and reactive transport code for variably saturated media providing a high degree of flexibility with respect to the definition of the reaction network. Advective-diffusive transport in the water phase and diffusive transport in the gas phase are included. Equilibrium reactions considered are aqueous complexation, gas partitioning between phases, oxidation-reduction, ion exchange, and surface complexation. The reaction network is designed to handle kinetically controlled intra-aqueous and dissolution-precipitation reactions, and the dissolution of non-aqueous phase liquids (NAPLs). All reactions can be defined through a database, not requiring external code generation by the user.

VERIFICATION EXAMPLES:

The MIN3P code has been verified in comparison to other existing reactive transport models such as PHREEQC, PHAST, and MULTIFLO (Lichtner, 1996). In addition, simulation results have been compared to literature data. Specific verification examples include:

· pH-dependent anion surface complexation (Stumm and Morgan, 1996, Fig. 9.16)

· pH-dependent cation surface complexation (Stumm and Morgan, 1996, Fig. 9.14)

· pH-dependent surface complexation of arsenate (comparison with PHREEQC)

· Equilibrium redox mixing (comparison to PHAST)

· Biodegradation of toluene (comparison to PHAST)

· Dedolomitization (comparison with PHAST)

· Ion exchange (Valocchi et al., 1981)

· Acid mine drainage generation and attenuation (Lichtner, 1996)

· Copper leaching from a five spot well pattern (Lichtner, 1996)

APPLICATIONS:

The MIN3P code is primarily used to aid in the quantitative assessment of laboratory experiments and field studies:

· The processes controlling the distribution and natural attenuation of phenolic compounds in a deep sandstone aquifer (Mayer et. al., 2001).

· An in situ reactive barrier for the treatment of hexavalent chromium and trichloroethylene in groundwater (Mayer et. al., 2001).

· Assessment of the suitability of reactive transport modeling for the evaluation of mine closure options (Bain et al., 2001)

· The process-oriented description of the natural attenuation of petroleum hydrocarbons in an unconfined, partially saturated aquifer (Mayer et. al., 2002).

· The generation and attenuation of acid mine drainage in a variably saturated tailing impoundment at the Nickel Rim Mine Site near Sudbury, ON (Mayer et. al., 2002).

· Modeling kinetic processes controlling hydrogen and acetate concentrations in an aquifer-derived microcosm (Watson et al., 2003)

· Simulation of column experiments for the treatment of acid mine drainage (Amos et al., 2004)

· Simulation of column experiments for the attenuation of acid mine drainage in mine tailings (Jurjovec et al., 2004)

CURRENT DEVELOPMENTS:

Additional processes and features that are currently added to the code include:

· Density-dependent flow and transport (Tom Henderson, PhD-candidate, UBC)

· Degassing and ebullition in response to microbially mediated gas production (Rich Amos, PhD candidate, UBC)

· Reaction-induced gas advection in unsaturated media (Sergi Molins, PhD-student, UBC)

· Implementation of a dual porosity formulation (Lirong Cheng, PhD-candidate, University of Sheffield, UK)

ACKNOWLEDGEMENTS:

Funding for current development is provided by NSERC (Natural Sciences and Engineering Research Council of Canada) in form of a discovery grant held by Ulrich Mayer and in form of a Collaborative Research and Development Grant held by Beth L. Parker (University of Waterloo). Additional funding is provided by the University Consortium Solvents-in-Groundwater Research Program through Beth L. Parker and John A. Cherry (University of Waterloo).

CONTACTS:

Ulrich Mayer

SELECTED REFERENCES:

Amos et al, 2004. Use of dissolved and vapour phase gases as natural tracers in a petroleum hydrocarbon contaminated aquifer. Water Resour. Res., submitted.

Bain, J. G., K. U. Mayer, J. W. H. Molson, D. W. Blowes, E. O. Frind, R. Kahnt and U. Jenk, 2001. Assessment of the suitability of reactive transport modeling for the evaluation of mine closure options, J. Contam. Hydrol., 52:109-135.

Jurjovec, J. D. W. Blowes, C. J. Ptacek, and K. U. Mayer., 2004. Multicomponent reactive transport modeling of acid neutralization reactions in mine tailings. Water Resour. Res., accepted June 2004.

Lichtner, P. C., 1996. Continuum Formulation of Multicomponent-Multiphase Reactive Transport, Ch. 1 in: Reactive Transport in Porous Media, Eds.: Lichtner, P. C., Steefel, C. I., and Oelkers, E. H., Reviews in Mineralogy, Vol. 34, Mineralogical Society of America, Washington, DC.

Mayer, K.U., Frind, E.O., Blowes, D.W., 2002. Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions. Water Resour. Res., Vol. 38, No. 9.

Mayer, K.U., Benner, S.G., Frind, E.O., Thornton, S.F., Lerner, D.N., 2001. Reactive transport modeling of processes controlling the distribution and natural attenuation of phenolic compounds in a deep sandstone aquifer. J. Contam. Hydrol. 53 (2001) 341-363.

Mayer, K.U., Blowes, D.W., Frind, E.O., 2001. Reactive transport modeling of an in situ reactive barrier for the treatment of hexavalent chromium and trichloroethylene in groundwater. Water Resour. Res., Vol. 37, No. 12.

Watson, I. A., S. E. Oswald, K. U. Mayer, Y. Wu, and S. A. Banwart, 2003. Modeling kinetic processes controlling hydrogen and acetate concentrations in an aquifer-derived microcosm, Environ. Sci. Technol., 37:3910 – 3919.

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