HydroQual, Inc. - Sediment Flux Modeling

Table of Contents

Preface
Acknowledgments
Part I Preliminaries
    1 Properties of Sediments
        1.1 Physical Characteristics
        1.2 Chemical Preliminaries
        1.3 Chemical Characteristics
        1.4 Biological Characteristics
        1.5 Conclusion
    2 ModelFormulation
        2.1 Framework
        2.2 Mass Balance Equations
        2.3 Sedimentation and Burial
        2.4 Mixing Processes and Mass Transfer Coefficients
        2.5 Two-Layer Mass Balance
        2.6 Particulate Organic Nitrogen and Ammonia
        2.7 Continuous Models
        Appendix 2A: Solution of Mass Balance Equations
            2A.1 First-Order Equation
            2A.2 Second-Order Equation
        Appendix 2B: MACSYMA Solutions
Part II Nutrients
    3 Ammonia
        3.1 Introduction
        3.2 Model Components
        3.3 Mass Balance Equations
        3.4 Data Analysis
        3.5 Observations of Chesapeake Bay Nitrification
        3.6 Nonsteady State Features
        3.7 Conclusions
        Appendix 3A: Solution of Ammonia Mass Balance Equations
        Appendix 3B: Ammonia and Dissolved Oxygen Surface Mass Transfer Coefficients
        Appendix 3C: Regression Analysis
    4 Nitrate
        4.1 Introduction
        4.2 Model Formulation and Solution
        4.3 Nitrate Source from the Overlying Water
        4.4 Nitrate Source from Nitrification
        4.5 Model Applications
        4.6 Flux Normalization and Parameter Estimation
        4.7 Application to Chesapeake Bay
        4.8 Estimate of the Denitrification Reaction Velocities
        4.9 Observations of Chesapeake Bay Denitrification
        4.10 Extent of Denitrification and the Nitrogen Balance
        4.11 Conclusions
        Appendix 4A: MACSYMA
    5 Steady State Model
        5.1 Introduction
        5.2 Modeling Framework
        5.3 Mass Balance Equations
        5.4 Solution For Anaerobic Layer Source
        5.5 Solution For Aerobic Layer Source
        Appendix 5A: MACSYMA
    6 Phosphorus
        6.1 Introduction
        6.2 Model Components
        6.3 Solutions
        6.4 Simplified Phosphate Flux Model
        6.5 Steady State Numerical Model
        6.6 Conclusions
        Appendix 6A: Positive and Negative Logarithmic Scale for Plotting
    7 Silica
        7.1 Introduction
        7.2 Model Components
        7.3 Solutions
        7.4 Final Model
        7.5 Conclusions
Part III Oxygen
    8 Oxygen Equivalents
        8.1 Introduction
        8.2 Proposed Modeling Frameworks
        8.3 Oxygen Equivalents
        8.4 Sediment Oxygen Demand
        8.5 Oxygen Equivalents and SOD
        8.6 Conclusion
    9 Sulfide
        9.1 Introduction
        9.2 Sulfide Production
        9.3 Sulfide Oxidation
        9.4 Solutions
        9.5 Sediment Oxygen Demand
        9.6 Data Analysis
        9.7 Commentary
    10 Methane
        10.1 Introduction
        10.2 Stoichiometry and Oxygen Equivalents
        10.3 Dissolved Methane Mass Balance
        10.4 Dissolved Oxygen Mass Balance
        10.5 SOD Equation
        10.6 Data Analysis
        10.7 Relationship to Sulfide Oxidation
        Appendix 10A: Positive and Negative Logarithmic Scale for Plotting
        Appendix 10B: Solution of Dissolved Oxygen Mass Balance Equations
    11 Sulfide and Methane
        11.1 Introduction
        11.2 Sulfate Consumption
        11.3 Layers and Mass Transfer Resistances
        11.4 Multilayer versus Two-layer Models
        11.5 Depth of Sulfate Reduction
        11.6 Sulfate and Methane Mass Balance Equations
        11.7 Numerical Examples
        11.8 Upper Potomac Estuary
        11.9 Anacostia River
        11.10 Conclusions
        Appendix 11A: MACSYMA Solution for the Three-Layer Equations
        Appendix 11B: MACSYMA Solution of the Sulfate Mass Balance Equations
        Appendix 11C: MACSYMA Solution of the Sulfide-Sulfate Mass Balance Equations
Part IV Time Variable Model Implementation
    12 Diagenesis
        12.1 Introduction
        12.2 Mass Balance Equations
        12.3 Diagenesis Stoichiometry
        12.4 Diagenesis Kinetics
        12.5 Depositional Flux
        12.6 Sediment Composition
        12.7 Sediment Algal Carbon
        12.8 Conclusion
    13 Mass Transport and Numerical Methods
        13.1 Introduction
        13.2 Transport Parameters
        13.3 Sediment Solids
        13.4 Effect of Varying Layer Thickness
        13.5 Numerical Considerations
        Appendix 13A: Fourier Series and the Boundary Conditions
Part V Model Calibration and Applications
    14 Chesapeake Bay
        14.1 Introduction
        14.2 Ammonia
        14.3 Nitrate
        14.4 Sulfide
        14.5 Oxygen
        14.6 Phosphate
        14.7 Silica
        14.8 Station Composite Plots
        14.9 Conclusions
    15 MERL, Long Island Sound, and Lake Champlain
        15.1 Introduction
        15.2 MERL
        15.3 Long Island Sound
        15.4 Lake Champlain
        15.5 Summary of Parameter Values Used in All Applications
    16 Steady State and Time Variable Behavior
        16.1 Introduction
        16.2 Steady State Model
        16.3 Model Sensitivity
        16.4 Time to Steady State
        16.5 Conclusions
    Appendix 16A: Model Equations
Part VI Metals
    17 Calcium and Alkalinity
        17.1 Introduction
        17.2 Calcium Carbonate
        17.3 Chemistry and Simplifications
        17.4 Closed System
        17.5 Sediment Model Equations and Solutions
        17.6 Application to Long Island Sound
        17.7 Conclusion
    18 Manganese I: Sediment Flux
        18.1 Introduction
        18.2 Steady State Model
        18.3 Time Variable Model
        18.4 Effect of pH
        Appendix 18A: MACSYMA
    19 Manganese II: Overlying Water-Sediment Interaction
        19.1 Introduction
        19.2 Model Formulation
        19.3 Time Variable Model
        19.4 Calibration
        Appendix 19A: MACSYMA
    20 Iron Flux Model
        20.1 Introduction
        20.2 Iron Chemistry
        20.3 Model Configuration
        20.4 Application to Onondaga Lake
        20.5 Application to the Croton Reservoir
        20.6 Model Framework
        20.7 Summary
    21 Cadmium and Iron
        21.1 Introduction
        21.2 Toxicity of Metals
        21.3 Model Structure
        21.4 Model Framework
        21.5 Solution Method
        21.6 Applications
        21.7 Conclusions
        Appendix 21A: Partitioning Equations
            A.1 FeS Partitioning
            A.2 Cadmium Partitioning
        Appendix 21B: MACSYMA
Appendix A: Data Tables
    A.1 Chesapeake Bay
    A.2 MERL
    A.3 Lake Champlain
Appendix B: Computer Program
Nomenclature
Bibliography
Index