Previous Work & Publications

D’Affonseca, F.M., Blum, P., Finkel, M., Melzer, R., Grathwohl, P., (2008). Field scale characterization and modeling of contaminant release from a coal tar source zone. J. Contam. Hydrol. https://doi.org/10.1016/j.jconhyd.2008.03.011

D’Affonseca, F.M., Blum, P., Finkel, M., Melzer, R., Grathwohl, P., (2008). Modelling the source zone depletion and plume development of a coal-tar contaminated site. IAHS-AISH publication, 197-202.

Molson, J., Aubertin, M., Bussière, B., Benzaazoua, M., (2008). Geochemical transport modelling of drainage from experimental mine tailings cells covered by capillary barriers. Appl. Geochemistry. https://doi.org/10.1016/j.apgeochem.2007.08.004

Mayer, K. U., Benner, S. G., & Blowes, D. W. (2006). Process-based reactive transport modeling of a permeable reactive barrier for the treatment of mine drainage. Journal of contaminant hydrology, 85(3-4), 195-211.

Ouangrawa, M., Molson, J., Aubertin, M., Zagury, G., Bussière, B., (2006). The effect of water table elevation on acid mine drainage from reactive tailings: A laboratory and numerical modeling study. In Proceedings of the 7th International Conference on Acid Rock Drainage (ICARD), St. Louis, Mo (Vol. 26, p. 30).

Amos, R. T., Mayer, K. U., Blowes, D. W., & Ptacek, C. J. (2004). Reactive transport modeling of column experiments for the remediation of acid mine drainage. Environmental science & technology, 38(11), 3131-3138.

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 Resources Research, 40, W11202, doi:10.1029/2003WR002233.

Bain, J. G., Mayer, K. U., Blowes, D. W., Frind, E. O., Molson, J. W. H., Kahnt, R., & Jenk, U. (2001). Modelling the closure-related geochemical evolution of groundwater at a former uranium mine. Journal of Contaminant Hydrology, 52(1-4), 109-135.

Nuclear

Deep Geologic Repositories

Su, D., M., Xie, Mayer, K.U. and MacQuarrie, K.T.B. (2022). The Impact of Ice Sheet Geometry on Meltwater Ingress and Reactive Solute Transport in Sedimentary Basins, Water Resources Research, 2022, 58, e2022WR032353.

Xie, M., D. Su, Mayer, K.U. and MacQuarrie, K.T.B. (2022). Reactive transport investigations of the long-term geochemical evolution of a multibarrier system including bentonite, low-alkali concrete and host rock, Applied Geochemistry, 105385

Xie, M., Su, D., K.U. Mayer and K.T.B. MacQuarrie (2018). Reactive Transport Modelling Investigation of Elevated Dissolved Sulphide Concentrations in Sedimentary Basin Rocks, NWMO Technical Report, NWMO-TR-2018-07.

Su, D., K.U. Mayer and K.T.B. MacQuarrie (2015). Parallelization of the Reactive Transport Code MIN3P-THCm, NWMO Technical Report, NWMO-TR-2015-23.

Xie, M., P. Rasouli, K.U. Mayer and K.T.B. MacQuarrie (2015). MIN3P-THCm Code Enhancements for Reactive Transport Modelling in Low Permeability Media, NWMO Technical Report, NWMO-TR-2015-12 October 2015.

Xie, M., P. Rasouli, K.U. Mayer and K.T.B. MacQuarrie (2014). Reactive Transport Modelling in Low Permeability Media – MIN3P-THCm Simulations of EBS TF-C Compacted Bentonite Diffusion Experiments, NWMO Technical Report, NWMO-TR-2014-23, December 2014.

Xie, M., P. Rasouli, K.U. Mayer and K.T.B. MacQuarrie (2014). Reactive Transport Modelling of In-situ Diffusion Experiments for the Mont Terri Project - MIN3P-THCm Code Enhancement and Numerical Simulations, NWMO Technical Report, NWMO-TR-2014-25, December 2014.

Bea, S.A., K.U. Mayer, K.T.B. MacQuarrie (2011). Modelling Reactive Transport in Sedimentary Rock Environments - Phase II MIN3P-NWMO code enhancements and illustrative simulations for a glaciation scenario. Technical report: NWMO TR-2011-13.

Spiessl, S.M., K.U. Mayer and K.T.B. MacQuarrie (2009). Reactive Transport Modelling in Fractured Rock – Redox Stability Study, Technical report: NWMO TR-2009-04.

Oil & Gas

Forde, O.N., Mayer, K.U., Cahill, A.G., Mayer, B., Cherry, J., Parker, B. (2018). Vadose zone gas migration and surface effluxes following a controlled natural gas release into an unconfined shallow aquifer. Vadose Zone J. 17:180033.

Hers, I., Jourabchi, P., Lahvis, M.A., Dahlen, P., Luo, E.H., Johnson, P., Devaull, G.E., Mayer, K.U., (2014). Evaluation of seasonal factors on petroleum hydrocarbon vapor biodegradation and intrusion potential in a cold climate. Groundw. Monit. Remediat. https://doi.org/10.1111/gwmr.12085

Hers, I., Jourabchi, P., Menatti, J. A., & Suuberg, E. M. (2012). 3-D modeling of aerobic biodegradation of petroleum vapors: Effect of building area size on oxygen concentration below the slab. In Proceedings of Air Waste Management Association (AWMA) Vapor Intrusion 2010 Conference.

Hers, I., Lingle, J., Dombrowski, F., Murphy, E., Rees, T., Jourabchi, P., Mayer, K.U., (2010). EPRI Soil Vapor Intrusion Field Research Program - Evaluation of soil vapor attenuation above residual MGP impacts at a site in Wisconsin.

Broholm, M.M., Christophersen, M., Maier, U., Stenby, E.H., Höhener, P., Kjeldsen, P., (2005). Compositional evolution of the emplaced fuel source in the vadose zone field experiment at airbase Værløse, Denmark. Environ. Sci. Technol. https://doi.org/10.1021/es048557s

Maier, U., Mayer, U., Grathwohl, P., (2005). Natural attenuation of volatile hydrocarbons in the unsaturated zone - Modelling for the Værløse field site. IAHS-AISH Publ.

Grathwohl, P., & Maier, U. (2002). Natural Attenuation of Volatile Hydrocarbons in Unsaturated Soil Zone. Journal of Agricultural and Marine Sciences [JAMS], 7(2), 9-15.

Carbon Sequestration

Harrison, A.L., Dipple, G.M., Power, I.M., Mayer, K.U., (2015). Influence of surface passivation and water content on mineral reactions in unsaturated porous media: Implications for brucite carbonation and CO2 sequestration. Geochim. Cosmochim. Acta. https://doi.org/10.1016/j.gca.2014.10.020

Bea, S., Wilson, S., Mayer, K., Dipple, G., Power, I., Gamazo, P. (2012). Reactive transport modeling of natural carbon sequestration in ultramafic mine tailings. Vadose Zone Journal, 11(2), 1-17.

Plant & Soil

Soil & Plants

Gatz-Miller, H. S., Gérard, F., Verrecchia, E. P., Su, D. and Mayer, K. U. (2022). Reactive transport modelling the oxalate-carbonate pathway of the Iroko tree; Investigation of calcium and carbon sinks and sources, Geoderma, 2022, 410, 115665.

Braghiere R K, Gérard F, Evers J B, Pradal C and Pagès L (2020). Simulating the effects of water limitation on plant biomass using a 3D functional–structural plant model of shoot and root driven by soil hydraulics Ann. Bot. 126 713–28. https://academic.oup.com/aob/advance-article/doi/10.1093/aob/mcaa059/5816312

Jia, M., Jacques, D., Gérard, F., Su, D., Mayer, K. U., & Šimůnek, J. (2019). A benchmark for soil organic matter degradation under variably saturated flow conditions. Computational Geosciences, 1-19.

Gérard, F., Blitz-Frayret, C., Hinsinger, P., Pagès, L., (2017). Modelling the interactions between root system architecture, root functions and reactive transport processes in soil. Plant Soil. https://doi.org/10.1007/s11104-016-3092-x

Bao, Z., Haberer, C., Maier, U., Beckingham, B., Amos, R.T., Grathwohl, P., (2015). Modeling long-term uptake and re-volatilization of semi-volatile organic compounds (SVOCs) across the soil-atmosphere interface. Sci. Total Environ. https://doi.org/10.1016/j.scitotenv.2015.08.104

Maier, U., Flegr, M., Rügner, H., Grathwohl, P., (2013). Long-term solute transport and geochemical equilibria in seepage water and groundwater in a catchment cross section. Environ. Earth Sci. https://doi.org/10.1007/s12665-013-2393-0

De Biase, C., Maier, U., Oswald, S., Thullner, M., (2012). Reactive transport simulation of volatile organic compound removal in vertical flow soil filters. IAHS-AISH publication, 355, 169-174.

Moradi, A.B., Oswald, S.E., Nordmeyer-Massner, J.A., Pruessmann, K.P., Robinson, B.H., Schulin, R., (2010). Analysis of nickel concentration profiles around the roots of the hyperaccumulator plant Berkheya coddii using MRI and numerical simulations. Plant Soil. https://doi.org/10.1007/s11104-009-0109-8

Gérard, F., Mayer, K.U., Hodson, M.J., Ranger, J., (2008). Modelling the biogeochemical cycle of silicon in soils: Application to a temperate forest ecosystem. Geochim. Cosmochim. Acta. https://doi.org/10.1016/j.gca.2007.11.010

Miller, G.R., Rubin, Y., Mayer, K.U., Benito, P.H., (2008). Modeling vadose zone processes during land application of food-processing waste water in California’s Central Valley. J. Environ. Qual. https://doi.org/10.2134/jeq2007.0320

Nowack, B., Mayer, K.U., Oswald, S.E., Van Beinum, W., Appelo, C.A.J., Jacques, D., Seuntjens, P., Gérard, F., Jaillard, B., Schnepf, A., Roose, T., (2006). Verification and intercomparison of reactive transport codes to describe root-uptake. Plant Soil. https://doi.org/10.1007/s11104-006-9017-3

Gérard, F., Tinsley, M., & Mayer, K. U. (2004). Preferential flow revealed by hydrologic modeling based on predicted hydraulic properties. Soil Science Society of America Journal, 68(5), 1526-1538.

PRBs

Permeable Reactive Barriers

Bilardi, S., Amos, R.T., Blowes, D.W., Calabrò, P.S., Moraci, N., (2013). Reactive Transport Modeling of ZVI Column Experiments for Nickel Remediation. Groundw. Monit. Remediat. https://doi.org/10.1111/j.1745-6592.2012.01417.x

Weber, A., Ruhl, A.S., Amos, R.T., (2013). Investigating dominant processes in ZVI permeable reactive barriers using reactive transport modeling. J. Contam. Hydrol. https://doi.org/10.1016/j.jconhyd.2013.05.001

Jeen, S.-W., Amos, R.T., Blowes, D.W., (2012). Modeling gas formation and mineral precipitation in a granular iron column. Environ. Sci. Technol. https://doi.org/10.1021/es300299r

Pettenati, M., Croiset, N., Picot-Colbeaux, G., Casanova, J., Azaroual, M., Besnard, K., Rampnoux, N., 2012. Optimisation of wastewater treatments through combined geomaterials and natural soil filter: Modelling tools. J. Water Reuse Desalin. https://doi.org/10.2166/wrd.2012.023

Mayer, K. U., Blowes, D. W., Frind, E. O., (2001). Reactive transport modeling for the treatment of an in situ reactive barrier for the treatment of hexavalent chromium and trichloroethylene in groundwater. Water Resources Research, 37:3091-3103. doi:10:1029/2001WR000862.

Jeen, S.-W., Mayer, K.U., Gillham, R.W., Blowes, D.W., 2007. Reactive transport modeling of trichloroethene treatment with declining reactivity of iron. Environ. Sci. Technol. https://doi.org/10.1021/es062490m

Other

Other Applications

Bao, Z., Haberer, C.M., Maier, U., Amos, R. T., Blowes, D. W., Grathwohl, P. (2017). Modeling controls on the chemical weathering of marine mudrocks from the Middle Jurassic in Southern Germany. Chem. Geol. https://doi.org/10.1016/j.chemgeo.2017.03.021

Altenkirch, N., Zlatanovic, S., Woodward, K. B., Trauth, N., Mutz, M., Mokenthin, F. (2016). Untangling Hyporheic Residence time Distributions and Whole Stream Metabolism Using a Hydrological Process Model. https://doi.org/10.1016/j.proeng.2016.07.598

Jamieson-Hanes, J.H., Amos, R.T., Blowes, D.W., (2012). Reactive transport modeling of chromium isotope fractionation during Cr(VI) reduction. Environ. Sci. Technol. https://doi.org/10.1021/es3046235

Gibson, B. D., Amos, R. T., Blowes, D. W. (2011). 34S/32S Fractionation during sulfate reduction in groundwater treatment systems: Reactive transport modeling. Environmental science & technology, 45(7), 2863-2870.

Marica, F., Jofré, S.A.B., Mayer, K.U., Balcom, B.J., Al, T.A., (2011). Determination of spatially-resolved porosity, tracer distributions and diffusion coefficients in porous media using MRI measurements and numerical simulations. J. Contam. Hydrol. https://doi.org/10.1016/j.jconhyd.2011.04.008

Stewart, B.D., Amos, R.T., Fendorf, S., (2011). Effect of uranium(VI) speciation on simultaneous microbial reduction of uranium(VI) and iron(III). J. Environ. Qual. https://doi.org/10.2134/jeq2010.0304

Stewart, B.D., Amos, R.T., Nico, P.S., Fendorf, S., (2011). Influence of uranyl speciation and iron oxides on uranium biogeochemical redox reactions. Geomicrobiol. J. https://doi.org/10.1080/01490451.2010.507646

Henderson, T. (2009). Numerical modeling of density-driven chemical oxidation of chlorinated solvents, Ph.D. – thesis, Department of Earth and Ocean Sciences, the University of British Columbia, Vancouver, British Columbia, Canada.

D'Affonseca, F. M., Park, S., Finkel, M. & P. Blum (2008): Quantification of Natural and Technically Enhanced NAPL Source Depletion: Analytical Models vs. Numerical Models. Groundwater Quality: Securing Groundwater Quality in Urban and Industrial Environments.- IAHS Publ. no. 324, 380-387.

Henderson, T., Mayer, K. U., Parker, B., Al, T. (2009). Three-dimensional density-dependent flow and multicomponent reactive transport modeling of chlorinated solvent oxidation by potassium permanganate. Journal of Contaminant Hydrology, 106, 195-211.

Maier, U., Beyer, C., Susset, B., Grathwohl, P., (2008). Modelling the dilution of solutes due to mass transfer across the capillary fringe. IAHS Publ. 324, 2008, 86–93.

Henderson, T.H., Mayer, K.U., Parker, B.L., Tom, A.A.L., (2005). Numerical simulation of density-driven permanganate oxidation of trichloroethylene DNAPL in a sandy aquifer. IAHS-AISH Publ.

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. Journal of Contaminant Hydrology 53 (2001) 341-363.

MIN3P

MIN3P Code & Benchmarks

Su, D., Mayer, K.U., MacQuarrie, K.T.B. (2022). Implementation of 2D/3D-Unstructured Grid Capabilities into MIN3P-THCm, NWMO Technical Report, NWMO-TR-2022-10.

Su, D.; Xie, M., Mayer, K. U. and MacQuarrie, K. T. B. (2022), Simulation of diffusive solute transport in heterogeneous porous media with dipping anisotropy, Frontiers in Water, 4.

Su, D., Mayer, K.U., MacQuarrie, K.T.B. (2020). MIN3P-HPC: a high performance unstructured grid code for subsurface flow and reactive transport simulation, Mathematical Geosciences, 53-517-550, https://doi.org/10.1007/s11004-020-09898-7

Su, D., Mayer, K.U., MacQuarrie, K.T.B. (2020). Numerical investigation of flow instabilities using fully unstructured discretization for variably saturated flow problems, Advances in Water Resources, 143:103673, https://doi.org/10.1016/j.advwatres.2020.103673

Maher, K., Mayer K. U (2019). The art of reactive transport model building, Elements, 15: 117-118, https://doi:10.2138/gselements.15.2.117

Poonoosamy, J., Wanner, C., Alt Epping, P., Águila, J.F., Samper, J., Montenegro, L., Xie, M., Su, D., Mayer, K.U., Mäder, U., Van Loon, L.R., Kosakowski, G., 2018. Benchmarking of reactive transport codes for 2D simulations with mineral dissolution–precipitation reactions and feedback on transport parameters. Comput. Geosci. https://doi.org/10.1007/s10596-018-9793-x

Su, D. Mayer, K.U., MacQuarrie, K.T.B. Parallelization of MIN3P-THCm: a high performance computational framework for subsurface flow and reactive transport simulation, Environmental Modelling & Software, 95, 2017, 271-289.

Bea, S.A., Mayer K. U., MacQuarrie K. T. B. (2016). Reactive transport and thermo-hydro-mechanical coupling in deep sedimentary basins affected by glaciation cycles: model development, verification, and illustrative example, Geofluids, 16, 279–300.

Rasouli, P. (2016). The role of multicomponent diffusion and electrochemical migration for reactive transport in porous media, PhD-thesis, University of British Columbia, Vancouver, British Columbia, Canada.

Alt-Epping, P., Tournassat, C., Rasouli, P., Steefel, C. I., Mayer, K. U., Jenni, A., ... & Fernández, R. (2015). Benchmark reactive transport simulations of a column experiment in compacted bentonite with multispecies diffusion and explicit treatment of electrostatic effects. Computational geosciences, 19(3), 535-550.

Marty, N.C.M., Bildstein, O., Blanc, P., Claret, F., Cochepin, B., Gaucher, E.C., Jacques, D., Lartigue, J.-E., Liu, S., Mayer, K.U., Meeussen, J.C.L., Munier, I., Pointeau, I., Su, D., Steefel, C.I., (2015). Benchmarks for multicomponent reactive transport across a cement/clay interface. Comput. Geosci. https://doi.org/10.1007/s10596-014-9463-6

Mayer, K. U., Alt-Epping, P., Jacques, D., Arora, B., Steefel, C. I. (2015). Benchmark problems for reactive transport modeling of the generation and attenuation of acid rock drainage. Computational geosciences, 19(3), 599-611.

Molins, S., Greskowiak, J., Wanner, C., Mayer, K.U., (2015). A benchmark for microbially mediated chromium reduction under denitrifying conditions in a biostimulation column experiment. Comput. Geosci. https://doi.org/10.1007/s10596-014-9432-0

Perko, J., Mayer, K.U., Kosakowski, G., De Windt, L., Govaerts, J., Jacques, D., Su, D., Meeussen, J.C.L., (2015). Decalcification of cracked cement structures. Comput. Geosci. https://doi.org/10.1007/s10596-014-9467-2

Rasouli, P., Steefel, C. I., Mayer, K. U., & Rolle, M. (2015). Benchmarks for multicomponent diffusion and electrochemical migration. Computational Geosciences, 19(3), 523-533.

Şengör, S.S., Mayer, K.U., Greskowiak, J., Wanner, C., Su, D., Prommer, H., (2015). A reactive transport benchmark on modeling biogenic uraninite re-oxidation by Fe(III)-(hydr)oxides. Comput. Geosci. https://doi.org/10.1007/s10596-015-9480-0

Steefel, C.I., Appelo, C.A.J., Arora, B., Jacques, D., Kalbacher, T., Kolditz, O., Lagneau, V., Lichtner, P.C., Mayer, K.U., Meeussen, J.C.L., Molins, S., Moulton, D., Shao, H., Šimůnek, J., Spycher, N., Yabusaki, S.B., Yeh, G.T. (2015). Reactive transport codes for subsurface environmental simulation. Computational Geosciences, 19(3), 445-478.

Wanner, C., Druhan, J.L., Amos, R.T., Alt-Epping, P., Steefel, C.I., (2015). Benchmarking the simulation of Cr isotope fractionation. Comput. Geosci. https://doi.org/10.1007/s10596-014-9436-9

Mayer, K. U., Amos, R., Molins, S., Gerard, F. (2012). Reactive transport modeling in variably saturated media with MIN3P: Basic model formulation and model enhancements. Vol. 26, pp. 186-211. Sharjah, UAE: Bentham Science Publishers.