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A Coupling Alternative to Reactive Transport Simulations for Long-term Prediction of Chemical Reactions in Heterogeneous Co2 Storage Systems : Volume 7, Issue 5 (25/09/2014)

By De Lucia, M.

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Book Id: WPLBN0004009736
Format Type: PDF Article :
File Size: Pages 45
Reproduction Date: 2015

Title: A Coupling Alternative to Reactive Transport Simulations for Long-term Prediction of Chemical Reactions in Heterogeneous Co2 Storage Systems : Volume 7, Issue 5 (25/09/2014)  
Author: De Lucia, M.
Volume: Vol. 7, Issue 5
Language: English
Subject: Science, Geoscientific, Model
Collections: Periodicals: Journal and Magazine Collection (Contemporary), Copernicus GmbH
Publication Date:
Publisher: Copernicus Gmbh, Göttingen, Germany
Member Page: Copernicus Publications


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Kühn, M., Kempka, T., & Lucia, M. D. (2014). A Coupling Alternative to Reactive Transport Simulations for Long-term Prediction of Chemical Reactions in Heterogeneous Co2 Storage Systems : Volume 7, Issue 5 (25/09/2014). Retrieved from

Description: GFZ German Research Centre for Geosciences, Sect. 5.3 – Hydrogeology, Telegrafenberg, 14473 Potsdam, Germany. Fully-coupled, multi-phase reactive transport simulations of CO2 storage systems can be approximated by a simplified one-way coupling of hydrodynamics and reactive chemistry. The main characteristics of such systems, and hypotheses underlying the proposed alternative coupling, are (i) that the presence of CO2 is the only driving force for chemical reactions and (ii) that its migration in the reservoir is only marginally affected by immobilization due to chemical reactions. In the simplified coupling, the exposure time to CO2 of each element of the hydrodynamic grid is estimated by non-reactive simulations and the reaction path of one single batch geochemical model is applied to each grid element during its exposure time. In heterogeneous settings, analytical scaling relationships provide the dependency of velocity and amount of reactions to porosity and gas saturation. The analysis of TOUGHREACT fully coupled reactive transport simulations of CO2 injection in saline aquifer, inspired to the Ketzin pilot site (Germany), both in homogeneous and heterogeneous settings, confirms that the reaction paths predicted by fully coupled simulations in every element of the grid show a high degree of self-similarity. A threshold value for the minimum concentration of dissolved CO2 considered chemically active is showed to mitigate the effects of the discrepancy between dissolved CO2 migration in non-reactive and fully coupled simulations. In real life, the optimal threshold value is unknown and has to be estimated, e.g., by means of 1-D or 2-D simulations, resulting in an uncertainty ultimately due to the process de-coupling. However, such uncertainty is more than acceptable given that the alternative coupling enables using grids in the order of million elements, profiting from much better description of heterogeneous reservoirs at a fraction of the calculation time of fully coupled models.

A coupling alternative to reactive transport simulations for long-term prediction of chemical reactions in heterogeneous CO2 storage systems

Audigane, P., Gaus, I., Czernichowski-Lauriol, I., Pruess, K., and Xu, T.: Two-dimensional reactive transport modeling of CO2 injection in a saline aquifer at the Sleipner site, North Sea, Am. J. Sci., 307, 974–1008, doi:10.2475/07.2007.02, 2007.; Audigane, P., Lions, J., Gaus, I., Robelin, C., Durst, P., der Meer, B. V., Geel, K., Oldenburg, C., and Xu, T.: Geochemical modeling of CO2 injection into a methane gas reservoir at the K12-B field, North Sea, AAPG Stud. Geol., 59, 499–519, 2009.; Beyer, C., Li, D., De Lucia, M., Kühn, M., and Bauer, S.: Modelling CO2-induced fluid–rock interactions in the Altensalzwedel gas reservoir. Part II: Coupled reactive transport simulation, Environmental Earth Sciences, 67, 573–588, doi:10.1007/s12665-012-1684-1, 2012.; De Lucia, M. and Kühn, M.: Coupling R and PHREEQC: efficient programming of geochemical models, Energy Procedia, 40, 464–471, doi:10.1016/j.egypro.2013.08.053, 2013.; De Lucia, M., Lagneau, V., de Fouquet, C., and Bruno, R.: The influence of spatial variability on 2D reactive transport simulations, CR Geosci., 343, 406–416, doi:10.1016/j.crte.2011.04.003, 2011.; De Lucia, M., Bauer, S., Beyer, C., Kühn, M., Nowak, T., Pudlo, D., Reitenbach, V., and Stadler, S.: Modelling CO2-induced fluid-rock interactions in the Altensalzwedel gas reservoir. Part I: From experimental data to a reference geochemical model, Environmental Earth Sciences, 67, 563–572, doi:10.1007/s12665-012-1725-9, 2012.; Dethlefsen, F., Haase, C., Ebert, M., and Dahmke, A.: Uncertainties of geochemical modeling during CO2 sequestration applying batch equilibrium calculations, Environmental Earth Sciences, 65, 1105–1117, doi:10.1007/s12665-011-1360-x, 2012.; Förster, A., Schöner, R., Förster, H.-J., Norden, B., Blaschke, A.-W., Luckert, J., Beutler, G., Gaupp, R., and Rhede, D.: Reservoir characterization of a CO2 storage aquifer: the Upper Triassic Stuttgart Formation in the Northeast German Basin, Mar. Petrol. Geol., 27, 2156–2172, doi:10.1016/j.marpetgeo.2010.07.010, 2010.; Gaus, I.: Role and impact of CO2-rock interactions during CO2 storage in sedimentary rocks, Int. J. Greenh. Gas Con., 4, 73–89, doi:10.1016/j.ijggc.2009.09.015, 2010.; Gaus, I., Azaroual, M., and Czernichowski-Lauriol, I.: Reactive transport modelling of the impact of CO2 injection on the clayey cap rock at Sleipner (North Sea), Chem. Geol., 217, 319–337, doi:10.1016/j.chemgeo.2004.12.016, 2005.; Gaus, I., Audigane, P., André, L., Lions, J., Jacquemet, N., Durst, P., Czernichowski-Lauriol, I., and Azaroual, M.: Geochemical and solute transport modelling for CO2 storage, what to expect from it?, Int. J. Greenh. Gas Con., 2, 605–625, doi:10.1016/j.ijggc.2008.02.011, 2008.; Hellevang, H., Pham, V. T., and Aagaard, P.: Kinetic modelling of CO2–water–rock interactions, Int. J. Greenh. Gas Con., 15, 3–15, doi:10.1016/j.ijggc.2013.01.027, 2013.; IPCC: Carbon Dioxide Capture and Storage, Cambridge University Press, UK, available at:


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