PH modelling in aquatic systems with time-variable acid-base dissociation constants applied to the turbid, tidal scheldt estuary

Biogeosciences

Volumn 6, Issue 8, 2009, Pages 1539-1561

  Hofmann, A F ^a   Middelburg, J J ^a,c   Soetaert, K ^a   Meysman, F J R ^b  

^a NETHERLANDS INSTITUTE OF ECOLOGY NIOO KNAW   (Netherlands)

^b VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^c UTRECHT UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDIFICATION; ACIDITY; ALKALINITY; AMMONIA; BIOGEOCHEMICAL CYCLE; CARBON DIOXIDE; DISSOLVED INORGANIC CARBON; ECOSYSTEM MODELING; ESTUARINE ENVIRONMENT; NITRIFICATION; PH; TURBIDITY;

EURASIA; EUROPE; WESTERN EUROPE; WESTERSCHELDE;

EID: 69249114289     PISSN: 17264170     EISSN: 17264189     Source Type: Journal    
DOI: 10.5194/bg-6-1539-2009     Document Type: Article

References (48)

1. Abril, G. and Frankignoulle, M.: Nitrogen-alkalinity interactions in the highly polluted Scheldt basin (Belgium), Water Research, 35, 844-850, 2001.
2. Abril, G., Etcheber, H., Borges, A. V., and Frankignoulle, M.: Excess atmospheric carbon dioxide transported by rivers into the Scheldt estuary, Comptes Rendus De L Academie Des Sciences Serie Ii Fascicule a-Sciences De La Terre Et Des Planetes, 330, 761-768, 2000.
3. Andersson, M. G. I., Brion, N., and Middelburg, J. J.: Comparison of nitrifier activity versus growth in the Scheldt estuary - a turbid, tidal estuary in northern Europe, Aquat. Microb. Ecol., 42, 149-158, 2006.
4. Ben-Yaakov, S.: A Method for Calculating the in Situ pH of Seawater, Limnol. Oceanogr., 15, 326-328, 1970.
5. Ben-Yaakov, S.: Ph Buffering of Pore Water of Recent Anoxic Marine Sediments, Limnol. Oceanogr., 18, 86-94, 1973.
6. Blackford, J. C. and Gilbert, F. J.: pH variability and CO2 induced acidification in the North Sea, J. Marine Syst., 64, 229-241, 2007.
7. Boudreau, B. P. and Canfield, D. E.: A Provisional Diagenetic Model for Ph in Anoxic Porewaters - Application to the Foam Site, J. Mar. Res., 46, 429-455, 1988.
8. Culberson, C. H.: Calculation of the Insitu Ph of Seawater, Lim nol. Oceanogr., 25, 150-152, 1980.
9. Dickson, A. G. and Riley, J. P.: Estimation of Acid Dissociation- Constants in Seawater Media from Potentiometric Titrations with Strong Base .1. Ionic Product of Water - Kw, Mar. Chem., 7, 89-99, 1979.
10. Dickson, A. G.: An Exact Definition of Total Alkalinity and a Procedure for the Estimation of Alkalinity and Total Inorganic Carbon from Titration Data, Deep-Sea Research Part a-Oceanographic Research Papers, 28, 609-623, 1981.
11. Dickson, A. G.: Ph Scales and Proton-Transfer Reactions in Saline Media Such as Sea-Water, Geochim. Cosmochim. Ac., 48, 2299-2308, 1984.
12. Dickson, A. G.: Thermodynamics of the Dissociation of Boric-Acid in Synthetic Seawater from 273.15 K to 318.15 K, Deep-Sea Res., 37, 755-766, 1990a.
13. Dickson, A. G.: Standard Potential of the Reaction - AgCl(S)+1/2 H2(G)=Ag(S)+HCl(Aq) and the Standard Acidity Constant of the Ion HSO 4 in Synthetic Sea-Water from 273.5 K to 318.15 K, J. Chem. Thermodyn., 22, 113-127, 1990b.
14. Follows, M. J., Ito, T., and Dutkiewicz, S.: On the solution of the carbonate chemistry system in ocean biogeochemistry models, Ocean Model., 12, 290-301, 2006.
15. Frankignoulle, M., Bourge, I., and Wollast, R.: Atmospheric CO2 Fluxes in a Highly Polluted Estuary (the Scheldt), Limnology and Oceanography, 41, 365-369, 1996.
16. Gazeau, F., Gattuso, J. P., Middelburg, J. J., Brion, N., Schiette-catte, L. S., Frankignoulle, M., and Borges, A. V.: Planktonic and whole system metabolism in a nutrient-rich estuary (the Scheldt estuary), Estuaries, 28, 868-883, 2005.
17. Gazeau, F., Quiblier, C., Jansen, J. M., Gattuso, J. P., Middelburg, J. J., and Heip, C. H. R.: Impact of elevated CO2 on shellfish calcification, Geophys. Res. Lett., 34, 2007.
18. Guinotte, J. M. and Fabry, V. J.: Ocean acidification and its potential effects on marine ecosystems, Year in Ecology and Conservation Biology 2008, 2008.
19. Heip, C.: Biota and Abiotic Environment in the Westerschelde Estuary, Hydrobiological Bulletin, 22, 31-34, 1988.
20. Hofmann, A. F., Meysman, F. J. R., Soetaert, K., and Middelburg, J. J.: A step-by-step procedure for pH model construction in aquatic systems, Biogeosciences, 5, 227-251, 2008a.
21. Hofmann, A. F., Soetaert, K., and Middelburg, J. J.: Present nitrogen and carbon dynamics in the Scheldt estuary using a novel 1-D model, Biogeosciences, 5, 981-1006, 2008b.
22. Hofmann, A. F., Soetaert, K., Middelburg, J. J., and Meysman, F. J. R.: AquaEnv - an Aquatic acid-base modelling Environment in R, submitted to Aquatic Geochemistry.
23. Holland, A.: The waste loads on the Scheldt estuary (1980-1988), Tidal Waters Division, Middelburg, The Netherlands, 1991.
24. Jourabchi, P., Van Cappellen, P., and Regnier, P.: Quantitative interpretation of pH distributions in aquatic sediments: A reaction-transport modeling approach, Am. J. Sci., 305, 919-956, 2005.
25. Luff, R., Haeckel, M., and Wallmann, K.: Robust and fast FORTRAN and MATLAB (R) libraries to calculate pH distributions in marine systems, Comput. Geosci., 27, 157-169, 2001.
26. Millero, F. J. and Poisson, A.: International One-Atmosphere Equation of State of Seawater, Deep-Sea Res., 28, 625-629, 1981.
27. Millero, F. J.: Thermodynamics of the Carbon-Dioxide System in the Oceans, Geochim. Cosmochim. Ac., 59, 661-677, 1995.
28. Millero, F. J.: Chemical Oceanography, CRC / Taylor & Francis, 3rd edn., 2006.
29. Mook, W. G. and Koene, B. K. S.: Chemistry of Dissolved Inorganic Carbon in Estuarine and Coastal Brackish Waters, Es-tuar. Coast. Mar. Sci., 3, 325-336, 1975.
30. Morel, F. M. and Hering, J. G.: Principles and Applications of Aquatic Chemistry, John Wiley & sons, 1993.
31. MVG: Ministerie van de Vlaamse Gemeenschap - Afdeling Mari-tieme toegang.
32. Orr, J. C., Fabry, V. J., Aumont, O., Bopp, L., Doney, S. C., Feely, R. A., Gnanadesikan, A., Gruber, N., Ishida, A., Joos, F., Key, R. M., Lindsay, K., Maier-Reimer, E., Matear, R., Monfray, P., Mouchet, A., Najjar, R. G., Plattner, G. K., Rodgers, K. B., Sabine, C. L., Sarmiento, J. L., Schlitzer, R., Slater, R. D., Tot-terdell, I. J., Weirig, M. F., Yamanaka, Y., and Yool, A.: Anthro-pogenic ocean acidification over the twenty-first century and its impact on calcifying organisms, Nature, 437, 681-686, 2005.
33. R Development Core Team: R: A language and environment for statistical computing, R Foundation for Statistical Computing, Vienna, Austria, available at: http://www.R-project.org, ISBN 3-900051-07-0, 2005.
34. Regnier, P., Wollast, R., and Steefel, C. I.: Long-term fluxes of reactive species in macrotidal estuaries: Estimates from a fully transient, multicomponent reaction-transport model, Mar. Chem., 58, 127-145, 1997.
35. Roy, R. N., Roy, L. N., Vogel, K. M., PorterMoore, C., Pearson, T., Good, C. E., Millero, F. J., and Campbell, D. M.: The dissociation constants of carbonic acid in seawater at salinities 5 to 45 and temperatures O to 45 degrees C (see also erratum: Mar. Chem., 52, 183, 1996), Mar. Chem., 44, 249-267, 1993.
36. Sarmiento, J. L. and Gruber, N.: Ocean Biogeochemical Dynamics, Princeton University Press, Princeton, 2006.
37. Soetaert, K. and Herman, P. M. J.: Estimating Estuarine Residence Times in the Westerschelde (the Netherlands) Using a Box Model with Fixed Dispersion Coefficients, Hydrobiologia, 311, 215-224, 1995.
38. Soetaert, K., deClippele, V., and Herman, P.: FEMME, a flexi-ble environment for mathematically modelling the environment, Ecol. Model., 151, 177-193, 2002.
39. Soetaert, K., Middelburg, J. J., Heip, C., Meire, P., Van Damme, S., and Maris, T.: Long-term change in dissolved inorganic nutrients in the heterotropic Scheldt estuary (Belgium, The Netherlands), Limnol. Oceanogr., 51, 409-423, 2006.
40. Soetaert, K., Hofmann, A. F., Middelburg, J. J., Meysman, F. J., and Greenwood, J.: The effect of biogeochemical processes on pH, Mar. Chem., 105, 30-51, 2007.
41. Spiteri, C., Van Cappellen, P., and Regnier, P.: Surface complexa-tion effects on phosphate adsorption to ferric iron oxyhydroxides along pH and salinity gradients in estuaries and coastal aquifers, Geochim. Cosmochim. Ac., 72, 3431-3445, 2008.
42. Stumm, W. and Morgan, J. J.: Aquatic Chemistry: Chemical Equilibria and Rates in natural Waters, Wiley Interscience, New York, 1996.
43. Van Gils, J. A. G., Ouboter, M. R. L., and De Roij, N. M.: Modelling of Water and Sediment Quality in the Scheldt Estuary, Netherlands J. Aquat. Ecol., 27, 257-265, 1993.
44. Vanderborght, J. P., Wollast, R., Loijens, M., and Regnier, P.: Application of a transport-reaction model to the estimation of bio-gas fluxes in the Scheldt estuary, Biogeochemistry, 59, 207-237, 2002.
45. 2 in a river-estuarine-coastal zone system: Application to the Scheldt estuary, Marine Chemistry Special issue: Dedicated to the memory of Professor Roland Wollast, 106, 92-110, available at: http://www.sciencedirect.com/science/article/B6VC2- 4KM4719-1/2/6943e718e77392f85420f63fa86bcbc6, 2007.
46. Whitfield, M. and Turner, D. R.: The Carbon-Dioxide System in Estuaries-an Inorganic Perspective, Science of the Total Environment, 49, 235-255, 1986.
47. Wong, G. T. F.: Alkalinity and pH in the Southern Chesapeake Bay and the James River Estuary, Limnology and Oceanography, 24, 970-977, 1979.
48. 2 in Seawater: Equilibrium, Kinetics, Isotopes, no.65 in Elsevier Oceanography Series, El-sevier, 1st edn., 2001.