Modelling of transport and biogeochemical processes in pollution plumes: literature review and model development

Abstract A literature survey shows how biogeochemical (coupled organic and inorganic reaction processes) transport models are based on considering the complete biodegradation process as either a single- or as a two-step process. It is demonstrated that some two-step process models rely on the Partial Equilibrium Approach (PEA). The PEA assumes the organic degradation step, and not the electron acceptor consumption step, is rate limiting. This distinction is not possible in one-step process models, where consumption of both the electron donor and acceptor are treated kinetically. A three-dimensional, two-step PEA model is developed. The model allows for Monod kinetics and biomass growth, features usually included only in one-step process models. The biogeochemical part of the model is tested for a batch system with degradation of organic matter under the consumption of a sequence of electron acceptors. A second paper [J. Hydrol. 256 (2002) 230–249], reports the application of the model to a field study of biogeochemical transport processes in a landfill plume in Denmark (Vejen).

[1]  B. Herrling,et al.  Modeling of biologically mediated redox processes in the subsurface , 1994 .

[2]  Wolfgang Kinzelbach,et al.  Simulation of reactive processes related to biodegradation in aquifers: 1. Structure of the three-dimensional reactive transport model , 1998 .

[3]  T. N. Narasimhan,et al.  Modeling reactive transport of organic compounds in groundwater using a partial redox disequilibrium approach , 1994 .

[4]  Wolfgang Kinzelbach,et al.  Simulation of reactive processes related to biodegradation in aquifers. 2. Model application to a column study on organic carbon degradation , 1998 .

[5]  Alfred B. Cunningham,et al.  Engineering scale-up of in situ bioremediation processes: a review , 1995 .

[6]  G. J. Farquhar,et al.  Modeling of leachate organic migration and attenuation in groundwaters below sanitary landfills , 1982 .

[7]  M. J. Baedecker,et al.  Hydrogeological Processes and Chemical Reactions at a Landfill. , 1979, Ground water.

[8]  D. A. Barry,et al.  A one-dimensional reactive multi-component transport model for biodegradation of petroleum hydrocarbons in groundwater , 1998, Environ. Model. Softw..

[9]  Bernhard Wehrli,et al.  Microbial reactions, chemical speciation, and multicomponent diffusion in porewaters of a eutrophic lake , 1996 .

[10]  Keith Loague,et al.  A compartmentalized solute transport model for redox zones in contaminated aquifers: 2. Field‐scale simulations , 2000 .

[11]  Gour-Tsyh Yeh,et al.  Development and application of a numerical model of kinetic and equilibrium microbiological and geochemical reactions (BIOKEMOD) , 1998 .

[12]  Lewis Semprini,et al.  Comparison Between Model Simulations and Field Results for In‐Situ Biorestoration of Chlorinated Aliphatics: Part 1. Biostimulation of Methanotrophic Bacteria , 1991 .

[13]  R. E. Jackson,et al.  Oxidation–reduction sequences in ground water flow systems , 1979 .

[14]  C.A.J. Appelo,et al.  Hydrogeochemical transport modeling of 24 years of Rhine water infiltration in the dunes of the Amsterdam Water Supply , 1998 .

[15]  P. Bedient,et al.  Transport of dissolved hydrocarbons influenced by oxygen-limited biodegradation , 1986 .

[16]  Philippe Van Cappellen,et al.  Kinetic modeling of microbially-driven redox chemistry of subsurface environments : coupling transport, microbial metabolism and geochemistry , 1998 .

[17]  Barbara A. Bekins,et al.  Simulation of aerobic and anaerobic biodegradation processes at a crude oil spill site , 1995 .

[18]  K. Loague,et al.  Development and testing of a compartmentalized reaction network model for redox zones in contaminated aquifers , 1998 .

[19]  D. A. Barry,et al.  Geochemical changes during biodegradation of petroleum hydrocarbons: Field investigations and biogeochemical modelling. , 1999 .

[20]  D. Rosbjerg,et al.  Modelling of transport and biogeochemical processes in pollution plumes: Vejen landfill, Denmark , 2002 .

[21]  A. Kehew,et al.  pH and Redox Buffering Mechanisms in a Glacial Drift Aquifer Contaminated by Landfill Leachate , 1990 .

[22]  G. Heron,et al.  Impact of sediment-bound iron on redox buffering in a landfill leachate polluted aquifer (vejen, denmark). , 1995, Environmental science & technology.

[23]  Rasmus Jakobsen,et al.  Redox zonation: Equilibrium constraints on the Fe(III)/SO4-reduction interface , 1996 .

[24]  T H Christensen,et al.  Distribution of redox-sensitive groundwater quality parameters downgradient of a landfill (Grindsted, Denmark). , 1995, Environmental science & technology.

[25]  D. Banks,et al.  Redox Processes in Groundwater Impacted by Landfill Leachate , 1998 .

[26]  F. Chapelle,et al.  Temporal and spatial changes of terminal electron‐accepting processes in a petroleum hydrocarbon‐contaminated aquifer and the significance for contaminant biodegradation , 1994 .

[27]  R. V. Nicholson,et al.  Migration of contaminants in groundwater at a landfill: A case study 6. Hydrogeochemistry , 1983 .

[28]  A. Amirbahman,et al.  Aqueous- and Solid-Phase Biogeochemistry of a Calcareous Aquifer System Downgradient from a Municipal Solid Waste Landfill (Winterthur, Switzerland) , 1998 .

[29]  R. Jakobsen,et al.  Redox zoning, rates of sulfate reduction and interactions with Fe-reduction and methanogenesis in a shallow sandy aquifer, Rømø, Denmark , 1999 .

[30]  Philippe C. Baveye,et al.  An evaluation of mathematical models of the transport of biologically reacting solutes in saturated soils and aquifers , 1989 .

[31]  Wolfgang Kinzelbach,et al.  Numerical Modeling of Natural and Enhanced Denitrification Processes in Aquifers , 1991 .

[32]  John A. Cherry,et al.  Migration of contaminants in groundwater at a landfill: A case study: 4. A natural-gradient dispersion test , 1983 .

[33]  G. Heron,et al.  Attenuation of landfill leachate pollutants in aquifers , 1994 .

[34]  T. N. Narasimhan,et al.  Reactive Transport of Petroleum Hydrocarbon Constituents in a Shallow Aquifer: Modeling Geochemical Interactions Between Organic and Inorganic Species , 1995 .

[35]  René Therrien,et al.  Simulating transport and removal of xylene during remediation of a sandy aquifer , 1995 .

[36]  J. D. Colthart,et al.  Aerobic Biodegradation of Benzene, Toluene, and Xylene in a Sandy Aquifer—Data Analysis and Computer Modeling , 1989 .

[37]  A. Levine,et al.  Biogeochemical assessment of natural attenuation of JP-4-contaminated ground water in the presence of fluorinated surfactants. , 1997, The Science of the total environment.

[38]  E. Sudicky,et al.  Simulation of biodegradable organic contaminants in groundwater. 1. Numerical formulation in principal directions. , 1990 .

[39]  Donald I. Siegel,et al.  Crude oil in a shallow sand and gravel aquifer-III , 1993 .

[40]  V. S. Tripathi,et al.  A critical evaluation of recent developments in hydrogeochemical transport models of reactive multichemical components , 1989 .

[41]  Thomas Højlund Christensen,et al.  Fate of organic contaminants in the redox zones of a landfill leachate pollution plume (Vejen, Denmark) , 1992 .

[42]  Timothy R. Ginn,et al.  An analysis of complex reaction networks in groundwater modeling , 1998 .

[43]  Jeanne M. VanBriesen,et al.  Multicomponent transport with coupled geochemical and microbiological reactions: model description and example simulations , 1998 .

[44]  Peter Engesgaard,et al.  Contaminant Transport at a Waste Residue Deposit: 2. Geochemical Transport Modeling , 1996 .

[45]  D. L. Parkhurst,et al.  User's guide to PHREEQC (Version 2)-a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations , 1999 .

[46]  G. Heron,et al.  Oxidation capacity of aquifer sediments. , 1994, Environmental science & technology.

[47]  Urs von Gunten,et al.  Biogeochemical changes in groundwater-infiltration systems: Column studies , 1993 .

[48]  Elizabeth H. Keating,et al.  Reactive transport modeling of redox geochemistry: Approaches to chemical disequilibrium and reaction rate estimation at a site in northern Wisconsin , 1998 .

[49]  B. Bekins,et al.  Modeling steady-state methanogenic degradation of phenols in groundwater , 1993 .

[50]  K. Loague,et al.  A compartmentalized solute transport model for redox zones in contaminated aquifers: 1. Theory and development , 2000 .

[51]  G. Williams,et al.  Controls on contaminant migration at the Villa Farm Lagoons , 1984, Quarterly Journal of Engineering Geology.

[52]  Peter Engesgaard,et al.  A geochemical transport model for redox-controlled movement of mineral fronts in groundwater flow systems: A case of nitrate removal by oxidation of pyrite , 1992 .

[53]  Yifeng Wang,et al.  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 , 1996 .