Integrated modeling of biogeochemical reactions and associated isotope fractionations at batch scale: A tool to monitor enhanced biodenitrification applications

Chemical Geology

Volumn 365, Issue , 2014, Pages 20-29

  Rodríguez Escales, Paula ^a,b   van Breukelen, Boris M ^c   Vidal Gavilan, Georgina ^a,d   Soler, Albert ^d   Folch, Albert ^b,e  

^a D D'ENGINY biorem SL   (Spain)

^b INSTITUT DE CIÈNCIA I TECNOLOGIA AMBIENTALS   (Spain)

^c VU UNIVERSITY AMSTERDAM   (Netherlands)

^d UNIVERSITY OF BARCELONA   (Spain)

^e UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

Biodenitrification; Calcite precipitation dissolution; Carbon isotopes; Nitrate isotopes; Phreeqc

Indexed keywords

BIODENITRIFICATION; BIOGEOCHEMICAL REACTIONS; CARBON ISOTOPES; COMPOUND-SPECIFIC STABLE ISOTOPE ANALYSIS; ISOTOPIC FRACTIONATIONS; NITRATE ISOTOPES; PHREEQC; REACTIVE TRANSPORT MODELS;

BIOGEOCHEMISTRY; CALCITE; CARBON; DISSOLUTION; ETHANOL; EXPLORATORY GEOCHEMISTRY; FRACTIONATION; GLUCOSE; GROUNDWATER; GROUNDWATER POLLUTION; NITRATES; NITRATION; TOOLS;

ISOTOPES;

BIOGEOCHEMICAL CYCLE; CALCITE; CARBON ISOTOPE; DENITRIFICATION; EXPERIMENTAL STUDY; GROUNDWATER; ISOTOPIC COMPOSITION; ISOTOPIC FRACTIONATION; NITRATE; REACTIVE TRANSPORT; STABLE ISOTOPE; WATER CHEMISTRY;

EID: 84891349991     PISSN: 00092541     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemgeo.2013.12.003     Document Type: Article

References (62)

1. Abe Y., Hunkeler D. Does the Rayleigh equation apply to evaluate field isotope data in contaminant. Environ. Sci. Technol. 2006, 40(5):1588-1596.
2. Almeida J.S., Reis M.A., Carrondo M.J. Competition between nitrate and nitrite reduction in denitrification by Pseudomonas fluorescens. Biotechnol. Bioeng. 1995, 46(5):476-484.
3. Alvarez P., Anid P., Vogel T. Kinetics of toluene degradation by denitrifying aquifer microorganisms. J. Environ. Eng. 1994, 120(5):1327-1336.
4. André L., Pauwels H., Dictor M.C., Parmentier M., Azaroual M. Experiments and numerical modelling of microbially-catalysed denitrification reactions. Chem. Geol. 2011, 287(3-4):171-181.
5. Appelo C.A.J., Postma D. Geochemistry, Groundwater and Pollution 2006, Balkema.
6. Barbieri M., et al. Microcosm experiments to control anaerobic redox conditions when studying the fate of organic micropollutants in aquifer material. J. Contam. Hydrol. 2011, 126(3-4):330-345.
7. Beauchamp E.G., Trevors J.T., Paul J.W. Carbon sources for bacterial denitrification. Adv. Soil. Sci. 1989, 113-142. Springer, New York. B.A. Stewart (Ed.).
8. Beller H.R. Anaerobic, nitrate-dependent oxidation of U(IV) oxide minerals by the chemolithoautotrophic Bacterium Thiobacillus denitrificans. Appl. Environ. Microbiol. 2005, 71(4):2170-2174.
9. Blair N., et al. Carbon isotopic fractionation in heterotrophic microbial metabolism. Appl. Environ. Microbiol. 1985, 50(4):996-1001.
10. 2. Am. J. Sci. 1982, 282(1):34.
11. Calderer M., Jubany I., Pérez R., Martí V., de Pablo J. Modelling enhanced groundwater denitrification in batch micrococosm tests. Chem. Eng. J. 2010, 165(1):2-9.
12. Carrey R., Otero N., Soler A., Gómez-Alday J.J., Ayora C. The role of Lower Cretaceous sediments in groundwater nitrate attenuation in central Spain: column experiments. Appl. Geochem. 2013, 32:142-152.
13. Cey E.E., Rudolph D.L., Aravena R., Parkin G. Role of the riparian zone in controlling the distribution and fate of agricultural nitrogen near a small stream in southern Ontario. J. Contam. Hydrol. 1999, 37(1-2):45-67.
14. Champ D.R., Gulens J., Aackson R.E. Oxidation-reduction sequences in ground water flow systems. Can. J. Earth Sci. 1979, 16(1):9.
15. Chen D.J.Z., MacQuarrie K.T.B. Numerical simulation of organic carbon, nitrate, and nitrogen isotope behavior during denitrification in a riparian zone. J. Hydrol. 2004, 293(1-4):235-254.
16. Coffin R.B., Velinsky D.J., Devereux R., Price W.A., Cifuentes L.A. Stable carbon isotope analysis of nucleic acids to trace sources of dissolved substrates used by estuarine bacteria. Appl. Environ. Microbiol. 1990, 56(7):2012-2020.
17. Dawes E.A., Ribbons D.W. Some aspects of the endogenous metabolism of bacteria. Bacteriol. Rev. 1964, 28:126-149.
18. Doherty J. PEST: model independent parameter estimation, 5th edition of user manual 2005, Watermark Numerical Computing.
19. European Environment Agency, E. Present Concentration of Nitrate in Groundwater Bodies in European Countries, 2003 2007.
20. Fan A.M., Steinberg V.E. Health implications of nitrate and nitrite in drinking water: an update on methemoglobinemia occurrence and reproductive and development toxicity. Regul. Toxicol. Pharmacol. 1996, 23(1 Pt 1):35-43.
21. Fernández-Nava Y., Marañón E., Soons J., Castrillón L. Denitrification of wastewater containing high nitrate and calcium concentrations. Bioresour. Technol. 2008, 99(17):7976-7981.
22. Foster S. Assessing and controlling the impacts of agriculture on groundwater-from barley barons to beef bans. Q. J. Eng. Geol. Hydrol. 2000, 33(4):17.
23. Goevert D., Conrad R. Carbon isotope fractionation by sulfate-reducing bacteria using different pathways for the oxidation of acetate. Environ. Sci. Technol. 2008, 42(21):7813-7817.
24. Hall J.A., Kalin R.M., Larkin M.J., Allen C.C.R., Harper D.B. Variation in stable carbon isotope fractionation during aerobic degradation of phenol and benzoate by contaminant degrading bacteria. Org. Geochem. 1999, 30(8, Part 1):801-811.
25. Höring H., Chapman D. Nitrates and nitrites in drinking water. World Health Organization Drinking Water Series 2004.
26. Karlsen R.H., Smits F.J.C., Stuyfzand P.J., Olsthoorn T.N., van Breukelen B.M. A post audit and inverse modeling in reactive transport: 50years of artificial recharge in the Amsterdam water supply dunes. J. Hydrol. 2012, 454-455:7-25.
27. Kendall C., Elliott E.M., Wankel S.D. Tracing anthropogenic inputs of nitrogen toecosystems. Chapter 12. Stable Isotopes in Ecology and Environmental Science 2007, 375-449. Blackwell Publishing. R.H. Michener, K. Lajtha (Eds.).
28. Khan I.A., Spalding R.F. Enhanced in situ denitrification for a municipal well. Water Res. 2004, 38(14-15):3382-3388.
29. Killingstad M.W., Widdowson M.A., Smith R.L. Modeling enhanced in situ denitrification in groundwater. J. Environ. Eng. 2002, 128:14.
30. Korom S.F. Natural denitrification in the saturated zone: a review. Water Resour. Res. 1992, 98(6).
31. Lee M.-S., Lee K.-K., Hyun Y., Clement T.P., Hamilton D. Nitrogen transformation and transport modeling in groundwater aquifers. Ecol. Modell. 2006, 192(1-2):143-159.
32. Lehmann M.F., Reichert P., Bernasconi S.M., Barbieri A., McKenzie J.A. Modelling nitrogen and oxygen isotope fractionation during denitrification in a lacustrine redox-transition zone. Geochim. Cosmochim. Acta 2003, 67(14):2529-2542.
33. Li L., Benson C.H., Lawson E.M. Modeling porosity reductions caused by mineral fouling in continuous-wall permeable reactive barriers. J. Contam. Hydrol. 2006, 83(1-2):89-121.
34. MacQuarrie K.T.B., Sudicky E.A. Multicomponent simulation of wastewater-derived nitrogen and carbon in shallow unconfined aquifers: I. Model formulation and performance. J. Contam. Hydrol. 2001, 47(1):53-84.
35. Mastrocicco M., Colombani N., Salemi E., Castaldell G. Reactive modelling of denitrification in soils with natural and depleted organic matter. Water Air Soil Pollut. 2011, 222(1-4):10.
36. Matějů V., Čižinská S., Krejčí J., Janoch T. Biological water denitrification-a review. Enzyme Microb. Technol. 1992, 14(3):170-183.
37. Matott L.S., Rabideau A.J. Calibration of subsurface batch and reactive-transport models involving complex biogeochemical processes. Adv. Water Resour. 2008, 31(2):269-286.
38. McCarty P.L. Stoichiometry of biological rates. Prog. Water Technol. 1975, 7(1):157-172.
39. Mook W.G. Environmental Isotopes in the Hydrological Cycle. Principles and Applications. Volume I. Introduction: Theory, Methods, Review 2000, UNESCO/IAEA, Vienna.
40. Noiriel C., Steefel C.I., Yang L., Ajo-Franklin J. Upscaling calcium carbonate precipitation rates from pore to continuum scale. Chem. Geol. 2012, 318-319(0):60-74.
41. Organisation for Economic Co-operation and Development, O. Environmental Performance of Agriculture in OECD Countries Since 1990 2008.
42. Orozco A.M.F., Contreras E.M., Zaritzky N.E. Cr(VI) reduction capacity of activated sludge as affected by nitrogen and carbon sources, microbial acclimation and cell multiplication. J. Hazard. Mater. 2010, 176(1-3):657-665.
43. Otero N., Torrentó C., Soler A., Menció A., Mas-Pla J. Monitoring groundwater nitrate attenuation in a regional system coupling hydrogeology with multi-isotopic methods: The case of Plana de Vic (Osona, Spain). Agric. Ecosyst. Environ. 2009, 133(1-2):103-113.
44. Palandri J.L., Kharaka Y.K. A Compilation of Rate Parameters of Water-Mineral Interaction Kinetics Interaction for Application to Geochemical Modeling 2004, U.S. Geological Survey.
45. Parkhurst D.L., Appelo C.A.J. User's Guide to PHREEQC (version 2)-A Computer Program for Speciation, Reaction-Path, 1D-Transport, and Inverse Geochemical Calculations 1999, U.S. Geological Survey.
46. Parkhurst D.L., Kipp K.L., Charlton S.R. PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions 2010, U.S. Geological Survey.
47. Rittmann B.E., McCarty P.L. Environmental Biotechnology: Principles and Applications 2001, McGraw-Hill, Cop.
48. Rivett M.O., Buss S.R., Morgan P., Smith J.W.N., Bemment C.D. Nitrate attenuation in groundwater: a review of biogeochemical controlling processes. Water Res. 2008, 42(16):4215-4232.
49. Rust C.M., Aelion C.M., Flora J.R.V. Control of pH during denitrification in subsurface sediment microcosms using encapsulated phosphate buffer. Water Res. 2000, 34(5):1447-1454.
50. Saitoh S., Iwasaki K., Yagi O. Development of a most-probable-number method for enumerating denitrifying bacteria by using 96-well microtiter plates and an anaerobic culture system. Microbes Environ. 2003, 18(4):210-215.
51. Smith R.L., Miller D.N., Brooks M.H., Widdowson M.A., Killingstad M.W. In situ stimulation of groundwater denitrification with formate to remediate. Environ. Sci. Technol. 2001, 35(1):196-203.
52. Straub K.L., Benz M., Schink B., Widdel F. Anaerobic, nitrate-dependent microbial oxidation of ferrous iron. Appl. Environ. Microbiol. 1996, 62(4):1458-1460.
53. Torrentó C., et al. Enhanced denitrification in groundwater and sediments from a nitrate-contaminated aquifer after addition of pyrite. Chem. Geol. 2011, 287(1-2):90-101.
54. van Breukelen B.M. Quantifying the degradation and dilution contribution to natural attenuation of contaminants by means of an open system Rayleigh equation. Environ. Sci. Technol. 2007, 41(14):4980-4985.
55. van Breukelen B.M., Prommer H. Beyond the Rayleigh equation: reactive transport modeling of isotope fractionation effects to improve quantification of biodegradation. Environ. Sci. Technol. 2008, 42(7):2457-2463.
56. van Breukelen B.M., Rolle M. Transverse hydrodynamic dispersion effects on isotope signals in groundwater chlorinated solvents' plumes. Environ. Sci. Technol. 2012, 46(14):7700-7708.
57. van Breukelen B.M., Griffioen J., Röling W.F.M., van Verseveld H.W. Reactive transport modelling of biogeochemical processes and carbon isotope geochemistry inside a landfill leachate plume. J. Contam. Hydrol. 2004, 70(3-4):249-269.
58. VanBriesen J. Evaluation of methods to predict bacterial yield using thermodynamics. Biodegradation 2002, 13(3):171-190.
59. Vavilin V.A. Estimating changes of isotopic fractionation based on chemical kinetics and microbial dynamics during anaerobic methane oxidation: apparent zero- and first-order kinetics at high and low initial methane concentrations. A. Van Leeuw. J. Microbiol. 2013, 103(2):375-383.
60. Vidal-Gavilan G., Folch A., Otero N., Solanas A.M., Soler A. Isotope characterization of an in situ biodenitrification pilot-test in a fractured aquifer. Appl. Geochem. 2013, 32:153-163.
61. Wakida F.T., Lerner D.N. Non-agricultural sources of groundwater nitrate: a review and case study. Water Res. 2005, 39(1):3-16.
62. Zumft W.G. Cell biology and molecular basis of denitrification. Microbiol. Mol. Biol. Rev. 1997, 61(4):533-616.