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Environmental Applications of Geochemical Modeling - Chen Zhu

Environmental Applications of Geochemical Modeling

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Published: 13th May 2002
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Geochemical modeling is a powerful tool for characterizing environmental site contaminations and predicting environmental impacts. This book discusses the application of geochemical models to environmental practice and studies, through the use of numerous case studies of real-world environmental problems, such as acid mine drainage, pit lake chemistry, nuclear waste disposal, and landfill leachates. In each example the authors clearly define the environmental threat in question; explain how geochemical modeling may help solve the problem posed; and advise the reader how to prepare input files for geochemical modeling codes and interpret the results in terms of meeting regulatory requirements. Support material for the book, including program codes, input files and exercise problems, is available on the Internet. Environmental Applications of Geochemical Modeling will serve as an advanced textbook for courses in environmental geochemistry, and as an indispensable reference for professional hydrogeologists, geochemists, engineers, and regulators, working within the environmental spheres.

"...an excellent text for an introduction to fundamental principles and practical techniques of geochemical modeling as applied to problems in environmental contamination." Ground Water "...well written, easy to read, and well illustrated. The authors are to be commended for their honest evaluation of modeling and their challenge to increase their use and enhance the realism of modeling in natural settings." Journal of the American Water Resources Association

Prefacep. xiii
Introductionp. 1
Environmental Problems and the Need for Geochemical Modelingp. 1
High-Level Radioactive Waste Disposalp. 1
Mining Related Environmental Issuesp. 4
Landfillsp. 8
Deep Well Injection of Hazardous Wastesp. 8
Artificial Recharge to Aquifersp. 9
The Regulatory Frameworkp. 11
CERCLA or Superfundp. 11
RCRAp. 11
NEPAp. 11
Clean Water Actp. 12
Safe Drinking Water Actp. 12
The Role of Geochemical Modelingp. 12
Contamination Issuesp. 12
Water Resource Issuesp. 13
Current Practicep. 14
Model Usagep. 14
The State of the Artp. 16
Overviewp. 16
Model Conceptsp. 18
Model Definitionsp. 18
A Holistic View of Geochemical Modelsp. 19
Types of Geochemical Modelsp. 23
Speciation-solubility Modelsp. 23
Reaction Path Modelsp. 24
Inverse Mass Balance Modelsp. 26
Coupled Mass Transport Modelsp. 27
Model Vertification and Validationp. 28
Model Usefulness and Limitationsp. 30
Thermodynamic Backgroundp. 32
Systems and Equilibriump. 32
Real and Model Systemsp. 32
Equilibriump. 33
The Role of Kineticsp. 34
Chemical Reactionsp. 34
Gibbs Energyp. 35
Enthalpy and Entropyp. 36
Activity, Fugacity, and Chemical Potentialp. 37
Activity and Fugacityp. 37
Activity Coefficientsp. 38
Chemical Potentialp. 42
The Equilibrium Constantp. 42
Direct and Indirect Determination of K valuesp. 44
Solubility Product and Saturation Indexp. 44
Dependence of K on Temperaturep. 45
Components and Speciesp. 46
Components and the Basisp. 46
Speciesp. 46
An Alternative Basisp. 47
The Phase Rulep. 51
The Extensive Phase Rulep. 53
Redoxp. 54
Oxygen Fugacity, log f[subscript O subscript 2]p. 55
Redox Potential, Ehp. 57
Electron Potential, pep. 58
Alkalinityp. 58
The Carbonate Componentp. 59
Carbonate Speciationp. 59
Titration Alkalinityp. 61
The Alkalinity to Carbonate Component Correctionp. 63
Acidityp. 65
Titration Acidityp. 65
The Acidity to Carbonate Component Correctionp. 66
Alkalinity and Acidity: A Summaryp. 67
The Local Equilibrium Assumptionp. 67
Scales of Interestp. 69
Calculation of t[subscript eq] and l[subscript eq]p. 69
Summaryp. 73
Computer Programs for Geochemical Modelingp. 74
Codes, Databases, and Modelsp. 74
The Codep. 74
The Databasep. 75
Review of Popular Computer Programsp. 76
Databasesp. 79
A Typical Databasep. 79
Data Qualityp. 81
Chemical Concentration Unitsp. 83
Examples of Input/Outputp. 83
Program Inputp. 83
Program Outputp. 90
Preparation and Construction of a Geochemical Modelp. 92
Introductionp. 92
Establish the Goalsp. 92
Learn the Groundwater Flow Systemp. 92
Collection of Field and Laboratory Datap. 93
Decide Which Parameters to Measure for Groundwaterp. 93
Characterize the Solidsp. 93
Evaluate Quality of Water Analyses. Charge Balance Ip. 94
Decide What Types of Model to Constructp. 97
Gather Chemical Propertiesp. 101
Select a Computer Codep. 101
Set Up a Modelp. 102
Basis Swappingp. 102
Charge Balance IIp. 102
Interpretation of Modeling Resultsp. 103
Accuracy and Completeness of the Databasep. 103
Input Constraintsp. 104
Who Produced the Model?p. 104
Reporting and Presentation of Modeling Resultsp. 105
Speciation and Solubility Modelingp. 106
Introductionp. 106
A Uranium Mill Tailings Impoundmentp. 107
The Sitep. 107
The Purpose of Geochemical Modelingp. 108
Site Geology and Datap. 111
Selection of Modeling Code and Model Inputp. 112
Geochemical Modelingp. 113
Modeling Resultsp. 114
Analysis of Mineral Saturation Indicesp. 114
Activity-Activity Diagramsp. 121
Geochemical Evolution Along A Flow Pathp. 123
Comments on the Bear Creek Sitep. 125
Applications to Bioavailability and Risk Assessment Studiesp. 126
Interpretations of Column Experimentsp. 128
Modeling Surface Adsorptionp. 133
Introductionp. 133
The Solid-Water Interfacep. 133
Ion-exchangep. 134
Cation-exchange Capacityp. 134
Exchange Reactionsp. 135
Isothermsp. 136
Ion-exchange vs. Surface Complexationp. 138
Surface Complexationp. 138
The Electrical Double layerp. 139
Other Surface Modelsp. 142
Sorption Implementation in Computer Programsp. 142
Examplesp. 143
Why Surface Modeling is Not Perfectp. 148
Retardation of Radionuclides at Oak Ridgep. 148
Mobility of Radionuclides at a Uranium Mill Tailings Impoundmentp. 151
Why Geochemical Modeling?p. 152
Modeling Approachp. 152
Modeling Resultsp. 153
Comparison with Field Datap. 153
Discussion of Modeling Resultsp. 155
Adsorption of Arsenic in Smelter Flue Dustp. 155
Reaction Path Modelingp. 157
Introductionp. 157
Alkalinity Titrationp. 159
Acidity of Acid Mine Waterp. 161
pH Bufferingp. 164
Deep Well Injection of Hazardous Wastesp. 167
Backgroundp. 167
A Case Studyp. 168
Pit Lake Chemistryp. 174
Artificial Rechargep. 177
Applications to Natural Background Studiesp. 178
Inverse Mass Balance Modelingp. 180
Introductionp. 180
Model Assumptionsp. 181
Groundwater Genesis, Black Mesa, Arizonap. 183
Acid Mine Drainage, Pinal Creek, Arizonap. 187
[superscript 14]C dating, Black Mesa, Arizonap. 192
Estimate of Microbial Metabolism Rates in Deep Aquifersp. 195
Chapelle and Lovley (1990)p. 195
Murphy and Schramke (1998)p. 197
Coupled Reactive Transport Modelsp. 199
Introductionp. 199
Multi-component Reactive Transport Modelsp. 200
Isotherm-based Reactive Transport Modelsp. 201
Linear Isotherm, K[subscript d]p. 201
Freundlich Isothermp. 202
Langmuir Isothermp. 202
Applicability of the Isotherm or Retardation-factor-based Reactive Transport Modelsp. 202
A Simple Examplep. 205
Buffering in Reactive Transportp. 211
The Buffer Conceptp. 211
Application of the Buffer Conceptp. 212
Migration of an Acid Plume at a Uranium Mill Tailings Sitep. 215
Model Descriptionp. 215
Modeling Resultsp. 218
Remedial Design of a Uranium Tailings Repositoryp. 225
Summary and Commentsp. 229
Kinetics Modelingp. 230
Introductionp. 230
Some Basic Theoryp. 230
The Progress Variablep. 230
The Reaction Ratep. 232
Rate Lawsp. 233
Temperature Dependence of Rate Constantsp. 235
Kinetics of Precipitation and Dissolution Reactionsp. 237
Kinetics of Acetate Decompositionp. 241
Coupled Aqueous Speciation and Biological Processesp. 247
Application to Landfill Leachate into Aquifersp. 249
Conclusionsp. 251
Appendixp. 253
A Modifying a Databasep. 253
Why Modify a Database?p. 253
Adding Arsenic Data to Phreeqcp. 254
Referencesp. 261
Indexp. 281
Table of Contents provided by Syndetics. All Rights Reserved.

ISBN: 9780521809078
ISBN-10: 052180907X
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 298
Published: 13th May 2002
Publisher: Cambridge University Press
Country of Publication: GB
Dimensions (cm): 25.9 x 17.9  x 2.3
Weight (kg): 0.75