Hostname: page-component-78c5997874-v9fdk Total loading time: 0 Render date: 2024-11-19T17:27:51.941Z Has data issue: false hasContentIssue false
  • English
  • Français

Reactive-Transport modeling as a technique for understanding coupled biogeochemical processes in surface and subsurface environments

Published online by Cambridge University Press:  01 April 2016

P. Regnier ,
P. Jourabchi  and
C.P. Slomp
P. Regnier*
Affiliation:
Biogeochemical Systems Dynamics, Dept. of Geochemistry, Faculty of Earth Sciences, Utrecht University, P.O. Box 80021, 3508TA Utrecht, the Netherlands
P. Jourabchi
Affiliation:
Biogeochemical Systems Dynamics, Dept. of Geochemistry, Faculty of Earth Sciences, Utrecht University, P.O. Box 80021, 3508TA Utrecht, the Netherlands
C.P. Slomp
Affiliation:
Biogeochemical Systems Dynamics, Dept. of Geochemistry, Faculty of Earth Sciences, Utrecht University, P.O. Box 80021, 3508TA Utrecht, the Netherlands
*
*Corresponding author:[email protected]
Rights & Permissions [Opens in a new window]

Abstract

Core share and HTML view are not available for this content. However, as you have access to this content, a full PDF is available via the ‘Save PDF’ action button.

Reactive-transport models contribute significantly to the field of modern geosciences. A general mathematical approach to solving models of complex biogeochemical systems is introduced. It is argued that even though mathematical models for reactive-transport simulations can be developed at various levels of approximation, the approach for their construction and application to the various compartments of the hydrosphere is fundamentally the same. The workings of coupled transport-reaction systems are described in more detail by means of examples, which demonstrate the similarities in the approach. Three models of the carbon dynamics in redox-stratified environments are compared: porous media flow problems in a coastal sediment and in a contaminated groundwater system; and a surface flow problem in a eutrophic estuary. Considering the interdisciplinary nature of such models, a Knowledge Base System for biogeochemical processes is proposed. Incorporation of the proposed knowledge base in an appropriate modeling framework, such as the Biogeochemical Reaction Network Simulator, proves an effective approach to the modeling of complex natural systems. This methodology allows for construction of multi-component reactive-transport models applicable to a wide range of problems of interest to the geoscientist.

Keywords

Reactive-Transport modelingRedox dynamicsKnowledge Base of biogeochemical processesEstuariesEarly diagenesis
Type
Research Article
Information
Netherlands Journal of Geosciences , Volume 82 , Special Issue 1: Geofluids in the Netherlands , April 2003 , pp. 5 - 18
Copyright
Copyright © Stichting Netherlands Journal of Geosciences 2003

References

Berner, R.A. 1980. Early diagenesis: A theoretical approach. Princeton University Press, Princeton: 256 pp.Google Scholar
Billen, G. 1976. Etude ecologique des transformations de l’azote dans les sediments marins. These de l’Université Libre de Bruxelles, Brussels, Belgium.Google Scholar
Billen, G., Lancelot, C., De Becker, E. & Servais, P. 1988. Modelling microbial processes (phyto- and bacterioplankton) in the Schelde estuary, Hydrobiological Bulletin, 22: 43–55.CrossRefGoogle Scholar
Boudreau, B.P., 1997. Diagenetic models and their implementation. Springer, Berlin: 414 pp.CrossRefGoogle Scholar
Canfield, D.E., 1993. Organic matter oxidation in marine sediments. In: Wollast, R., Mackenzie, F.T. & Chou, L. (eds): Interactions of C, N, P and S Biogeochemical Cycles and Global Change. Springer-Verlag, Berlin.Google Scholar
Chapelle, F.H., 2001. Ground-water microbiology and Geochemistry. John Wiley & Sons, New-York: 477 pp.Google Scholar
Chilakapati, A., 1995. RAFT: A Simulator for Reactive Flow and Transport of Groundwater Contaminants, Pacific Northwest Laboratory Internal Report 10636.Google Scholar
Ferris, M.C., Mesnier, M.P. & More, J.J., 2000. NEOS and Condor: solving optimization problems over the Internet. ACM transactions on Mathematical software 26: 1–18.CrossRefGoogle Scholar
Frankignoulle, M., Bourge, I. & Wollast, R., 1996. Atmospheric C02 fluxes in a highly polluted estuary (The Scheldt). Limnolology & Oceanography 41.Google Scholar
Hirsch, C. 1988. Numerical computation of internal and external flows, Wiley, New-York: 513 pp.Google Scholar
Hunter, K.S., Wang, Y. and Van Cappellen, P., 1998. Kinetic modeling of microbially-driven redox chemistry of subsurface environments: coupling transport, microbial metabolism and geochemistry. Journal of Hydrology 209: 53–80.Google Scholar
Lasaga, A.C., 1997. Kinetic theory in the Earth Sciences. Princeton University Press, Princeton: 811 pp.Google Scholar
De Marsily, G., 1986. Quantitative hydrogeology. Academic Press, New-York: 440 pp.Google Scholar
Nihoul, J.C.J., 1975. Modelling of Marine Systems, Elsevier Oceanography Series 10, Amsterdam: 272 pp.Google Scholar
Nihoul, J.C.J. & Djenidi, S., 1991. Hierarchy and scales in marine ecohydrodynamics. Earth-Science Reviews 31: 255—277.Google Scholar
Nihoul, J.C.J., 1993. Application of mathematical modelling to the marine environment. Riga, E.. Liege.Google Scholar
Officer, C.B., 1976. Physical oceanography of estuaries, Wiley, New-York: 465 pp.Google Scholar
O’Kane, J.P., 1980. Estuarine Water Quality Management. Pitman, London: 155 pp.Google Scholar
Regnier, P., Wollast, R. & Steefel, C.I., 1997. Long term fluxes of reactive species in macrotidal estuaries: Estimates from a fully transient, multi-component reaction transport model. Marine Chemistry 58: 127–145.Google Scholar
Regnier, P., Mouchet, A., Wollast, R. & Ronday, F., 1998. A discussion of methods for estimating residual fluxes in strong tidal estuaries. Continental Shelf Research 18: 1543–1571.CrossRefGoogle Scholar
Regnier, P. & Steefel, C.I., 1999. A high resolution estimate of the inorganic nitrogen flux from the Scheldt estuary to the coastal North Sea during a nitrogen-limited algal bloom, Spring 1995. Geochimica & Cosmochimica Acta 63:1359–1374.Google Scholar
Regnier, P., Vanderborght, J.P., Steefel, C.I. & O’Kane, J.P., 2002. Modeling complex multi-component reactive-transport systems: Towards a simulation environment based on the concept of a Knowledge Base. Applied Mathematical Modelling, 26: 913–927.Google Scholar
Schwartzenbach, R.P., Gschwend, P.M. & Imboden, D.M., 1993. Environmental organic geochemistry. Wiley Interscience, New-York.Google Scholar
Soetaert, K., Herman, P.M.J. & Kromkamp, J., 1994. Living in the twighlight: estimating net phytoplankton growth in the Westerschelde estuary (The Netherlands) by means of an ecosystem model (MOSES). Journal of Plankton Research 16: 1277–1301.CrossRefGoogle Scholar
Somville, M., 1980. Etude ecophysiologique des metabolismes bacteriens dans l’estuaire de l’Escaut. These de l’Université Libre de Bruxelles, Brussels, Belgium.Google Scholar
Steefel, C.I. & MacQuarrie, K.T.B., 1996. Approaches to modelling of reactive transport in porous media. In: Reactive Transport in Porous Media. In: Lichtner, P.C., Steefel, C.I. & Oelkers, E.H). Reviews in Mineraloly, Mineral. Soc. Amer, Washington.Google Scholar
Stewart, R.W., 1975 Physical Modelling. In: Modelling of Marine Systems, Vol 10. (eds. Nihoul, J.C.J.) Elsevier, Amsterdam: 155–167.Google Scholar
Van Cappellen, P. &Wang, Y., 1996. Cycling of iron and manganese in surface sediments: a general theory for the coupled transport and reaction of carbon, oxygen, nitrogen, sulfur, iron, and manganese. American Journal of Science, 296: 197–243.Google Scholar
Vanderborght, J.P., Wollast, R., Loijens, M. & Regnier, P., 2002. Application of a transport-reaction model to the estimation of biogases fluxes in the Scheldt estuary. Biogeochemistry 59, 1-2: 207–237.CrossRefGoogle Scholar
Wollast, R. & Vanderborght, J-P., 1994. Aquatic carbonate systems: chemical processes in natural waters and global cycles. In: Bidoglio, G. & Stumm, W. (eds): Chemistry of Aquatic Systems: Local and Global Perspectives ECSC, EEC, EAEC, Brussels and Luxembourg: 47–71.CrossRefGoogle Scholar