Environmental applications of geochemical modeling

Başlık:

Yazar:

Zhu, Chen, 1962-

ISBN:

9780521809078

9780521005777

Ek Yazar:

Zhu, Chen, 1962-

Yayım Bilgisi:

Cambridge ; New York : Cambridge University Press, 2002.

Fiziksel Tanım:

xiv, 284 p. : ill., maps ; 26 cm

Contents:

Environmental Problems and the Need for Geochemical Modeling -- High-Level Radioactive Waste Disposal -- Mining Related Environmental Issues -- Landfills -- Deep Well Injection of Hazardous Wastes -- Artificial Recharge to Aquifers -- The Regulatory Framework -- CERCLA or Superfund -- RCRA -- NEPA -- Clean Water Act -- Safe Drinking Water Act -- The Role of Geochemical Modeling -- Contamination Issues -- Water Resource Issues -- Current Practice -- Model Usage -- The State of the Art -- Model Concepts -- Model Definitions -- A Holistic View of Geochemical Models -- Types of Geochemical Models -- Speciation-solubility Models -- Reaction Path Models -- Inverse Mass Balance Models -- Coupled Mass Transport Models -- Model Verification and Validation -- Model Usefulness and Limitations -- Thermodynamic Background -- Systems and Equilibrium -- Real and Model Systems -- Equilibrium -- The Role of Kinetics -- Chemical Reactions -- Gibbs Energy -- Enthalpy and Entropy -- Activity, Fugacity, and Chemical Potential -- Activity and Fugacity -- Activity Coefficients -- Chemical Potential -- The Equilibrium Constant -- Direct and Indirect Determination of K values -- Solubility Product and Saturation Index -- Dependence of K on Temperature -- Components and Species -- Components and the Basis -- Species -- An Alternative Basis -- The Phase Rule -- The Extensive Phase Rule -- Redox -- Oxygen Fugacity, log f[subscript O subscript 2] -- Redox Potential, Eh -- Electron Potential, pe -- Alkalinity -- The Carbonate Component.

Konu Terimleri:

Çevre jeokimyası -- Matematiksel modeller.

Environmental geochemistry -- Mathematical models.

Geochemical modeling.

Added Author:

Anderson, G. M. (Gregor Munro), 1932-

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Library	Materyal Türü	Barkod	Yer Numarası	Durum
Searching... Pamukkale Merkez Kütüphanesi	Kitap	0074911	QE516.4 Z638 2002	Searching... Unknown

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Özet

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 input files, 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.

Author Notes

Chen Zhu received a Master's degree from the University of Toronto and a Ph.D. degree from Johns Hopkins University (1992), before being awarded a post-doctoral fellowship at Woods Hole Oceanographic Institution. He subsequently worked for five years in the environmental industry, where he encountered many environmental problems first-hand and routinely used geochemical modeling as a tool in his work. Dr Zhu is now an assistant professor at the University of Pittsburgh where he teaches courses in geochemical modeling.
Greg Anderson has been Professor of Geochemistry at the University of Toronto for 35 years and is the author of two textbooks on thermodynamics for Earth scientists: Thermodynamics in Geochemistry (1993) and Thermodynamics of Natural Systems (1995). In 2000 he was awarded the Past President's medal by The Mineralogical Association of Canada for contributions to geochemistry

Preface	p. xiii
1 Introduction	p. 1
1.1 Environmental Problems and the Need for Geochemical Modeling	p. 1
1.1.1 High-Level Radioactive Waste Disposal	p. 1
1.1.2 Mining Related Environmental Issues	p. 4
1.1.3 Landfills	p. 8
1.1.4 Deep Well Injection of Hazardous Wastes	p. 8
1.1.5 Artificial Recharge to Aquifers	p. 9
1.2 The Regulatory Framework	p. 11
1.2.1 CERCLA or Superfund	p. 11
1.2.2 RCRA	p. 11
1.2.3 NEPA	p. 11
1.2.4 Clean Water Act	p. 12
1.2.5 Safe Drinking Water Act	p. 12
1.3 The Role of Geochemical Modeling	p. 12
1.3.1 Contamination Issues	p. 12
1.3.2 Water Resource Issues	p. 13
1.4 Current Practice	p. 14
1.4.1 Model Usage	p. 14
1.4.2 The State of the Art	p. 16
1.5 Overview	p. 16
2 Model Concepts	p. 18
2.1 Model Definitions	p. 18
2.2 A Holistic View of Geochemical Models	p. 19
2.3 Types of Geochemical Models	p. 23
2.3.1 Speciation-solubility Models	p. 23
2.3.2 Reaction Path Models	p. 24
2.3.3 Inverse Mass Balance Models	p. 26
2.3.4 Coupled Mass Transport Models	p. 27
2.4 Model Vertification and Validation	p. 28
2.5 Model Usefulness and Limitations	p. 30
3 Thermodynamic Background	p. 32
3.1 Systems and Equilibrium	p. 32
3.1.1 Real and Model Systems	p. 32
3.1.2 Equilibrium	p. 33
3.1.3 The Role of Kinetics	p. 34
3.2 Chemical Reactions	p. 34
3.3 Gibbs Energy	p. 35
3.3.1 Enthalpy and Entropy	p. 36
3.4 Activity, Fugacity, and Chemical Potential	p. 37
3.4.1 Activity and Fugacity	p. 37
3.4.2 Activity Coefficients	p. 38
3.4.3 Chemical Potential	p. 42
3.5 The Equilibrium Constant	p. 42
3.5.1 Direct and Indirect Determination of K values	p. 44
3.5.2 Solubility Product and Saturation Index	p. 44
3.5.3 Dependence of K on Temperature	p. 45
3.6 Components and Species	p. 46
3.6.1 Components and the Basis	p. 46
3.6.2 Species	p. 46
3.6.3 An Alternative Basis	p. 47
3.7 The Phase Rule	p. 51
3.7.1 The Extensive Phase Rule	p. 53
3.8 Redox	p. 54
3.8.1 Oxygen Fugacity, log f[subscript O subscript 2]	p. 55
3.8.2 Redox Potential, Eh	p. 57
3.8.3 Electron Potential, pe	p. 58
3.9 Alkalinity	p. 58
3.9.1 The Carbonate Component	p. 59
3.9.2 Carbonate Speciation	p. 59
3.9.3 Titration Alkalinity	p. 61
3.9.4 The Alkalinity to Carbonate Component Correction	p. 63
3.10 Acidity	p. 65
3.10.1 Titration Acidity	p. 65
3.10.2 The Acidity to Carbonate Component Correction	p. 66
3.10.3 Alkalinity and Acidity: A Summary	p. 67
3.11 The Local Equilibrium Assumption	p. 67
3.11.1 Scales of Interest	p. 69
3.11.2 Calculation of t[subscript eq] and l[subscript eq]	p. 69
3.12 Summary	p. 73
4 Computer Programs for Geochemical Modeling	p. 74
4.1 Codes, Databases, and Models	p. 74
4.1.1 The Code	p. 74
4.1.2 The Database	p. 75
4.2 Review of Popular Computer Programs	p. 76
4.3 Databases	p. 79
4.3.1 A Typical Database	p. 79
4.3.2 Data Quality	p. 81
4.4 Chemical Concentration Units	p. 83
4.5 Examples of Input/Output	p. 83
4.5.1 Program Input	p. 83
4.5.2 Program Output	p. 90
5 Preparation and Construction of a Geochemical Model	p. 92
5.1 Introduction	p. 92
5.2 Establish the Goals	p. 92
5.3 Learn the Groundwater Flow System	p. 92
5.4 Collection of Field and Laboratory Data	p. 93
5.4.1 Decide Which Parameters to Measure for Groundwater	p. 93
5.4.2 Characterize the Solids	p. 93
5.4.3 Evaluate Quality of Water Analyses. Charge Balance I	p. 94
5.5 Decide What Types of Model to Construct	p. 97
5.6 Gather Chemical Properties	p. 101
5.7 Select a Computer Code	p. 101
5.8 Set Up a Model	p. 102
5.8.1 Basis Swapping	p. 102
5.8.2 Charge Balance II	p. 102
5.9 Interpretation of Modeling Results	p. 103
5.9.1 Accuracy and Completeness of the Database	p. 103
5.9.2 Input Constraints	p. 104
5.9.3 Who Produced the Model?	p. 104
5.10 Reporting and Presentation of Modeling Results	p. 105
6 Speciation and Solubility Modeling	p. 106
6.1 Introduction	p. 106
6.2 A Uranium Mill Tailings Impoundment	p. 107
6.2.1 The Site	p. 107
6.2.2 The Purpose of Geochemical Modeling	p. 108
6.2.3 Site Geology and Data	p. 111
6.2.4 Selection of Modeling Code and Model Input	p. 112
6.2.5 Geochemical Modeling	p. 113
6.2.6 Modeling Results	p. 114
6.2.7 Analysis of Mineral Saturation Indices	p. 114
6.2.8 Activity-Activity Diagrams	p. 121
6.2.9 Geochemical Evolution Along A Flow Path	p. 123
6.2.10 Comments on the Bear Creek Site	p. 125
6.3 Applications to Bioavailability and Risk Assessment Studies	p. 126
6.4 Interpretations of Column Experiments	p. 128
7 Modeling Surface Adsorption	p. 133
7.1 Introduction	p. 133
7.1.1 The Solid-Water Interface	p. 133
7.2 Ion-exchange	p. 134
7.2.1 Cation-exchange Capacity	p. 134
7.2.2 Exchange Reactions	p. 135
7.2.3 Isotherms	p. 136
7.2.4 Ion-exchange vs. Surface Complexation	p. 138
7.3 Surface Complexation	p. 138
7.3.1 The Electrical Double layer	p. 139
7.3.2 Other Surface Models	p. 142
7.4 Sorption Implementation in Computer Programs	p. 142
7.4.1 Examples	p. 143
7.4.2 Why Surface Modeling is Not Perfect	p. 148
7.5 Retardation of Radionuclides at Oak Ridge	p. 148
7.6 Mobility of Radionuclides at a Uranium Mill Tailings Impoundment	p. 151
7.6.1 Why Geochemical Modeling?	p. 152
7.6.2 Modeling Approach	p. 152
7.6.3 Modeling Results	p. 153
7.6.4 Comparison with Field Data	p. 153
7.6.5 Discussion of Modeling Results	p. 155
7.7 Adsorption of Arsenic in Smelter Flue Dust	p. 155
8 Reaction Path Modeling	p. 157
8.1 Introduction	p. 157
8.2 Alkalinity Titration	p. 159
8.3 Acidity of Acid Mine Water	p. 161
8.4 pH Buffering	p. 164
8.5 Deep Well Injection of Hazardous Wastes	p. 167
8.5.1 Background	p. 167
8.5.2 A Case Study	p. 168
8.6 Pit Lake Chemistry	p. 174
8.7 Artificial Recharge	p. 177
8.8 Applications to Natural Background Studies	p. 178
9 Inverse Mass Balance Modeling	p. 180
9.1 Introduction	p. 180
9.2 Model Assumptions	p. 181
9.3 Groundwater Genesis, Black Mesa, Arizona	p. 183
9.4 Acid Mine Drainage, Pinal Creek, Arizona	p. 187
9.5 [superscript 14]C dating, Black Mesa, Arizona	p. 192
9.6 Estimate of Microbial Metabolism Rates in Deep Aquifers	p. 195
9.6.1 Chapelle and Lovley (1990)	p. 195
9.6.2 Murphy and Schramke (1998)	p. 197
10 Coupled Reactive Transport Models	p. 199
10.1 Introduction	p. 199
10.2 Multi-component Reactive Transport Models	p. 200
10.3 Isotherm-based Reactive Transport Models	p. 201
10.3.1 Linear Isotherm, K[subscript d]	p. 201
10.3.2 Freundlich Isotherm	p. 202
10.3.3 Langmuir Isotherm	p. 202
10.3.4 Applicability of the Isotherm or Retardation-factor-based Reactive Transport Models	p. 202
10.4 A Simple Example	p. 205
10.5 Buffering in Reactive Transport	p. 211
10.5.1 The Buffer Concept	p. 211
10.5.2 Application of the Buffer Concept	p. 212
10.6 Migration of an Acid Plume at a Uranium Mill Tailings Site	p. 215
10.6.1 Model Description	p. 215
10.6.2 Modeling Results	p. 218
10.7 Remedial Design of a Uranium Tailings Repository	p. 225
10.8 Summary and Comments	p. 229
11 Kinetics Modeling	p. 230
11.1 Introduction	p. 230
11.2 Some Basic Theory	p. 230
11.2.1 The Progress Variable	p. 230
11.2.2 The Reaction Rate	p. 232
11.2.3 Rate Laws	p. 233
11.2.4 Temperature Dependence of Rate Constants	p. 235
11.3 Kinetics of Precipitation and Dissolution Reactions	p. 237
11.4 Kinetics of Acetate Decomposition	p. 241
11.5 Coupled Aqueous Speciation and Biological Processes	p. 247
11.6 Application to Landfill Leachate into Aquifers	p. 249
11.7 Conclusions	p. 251
Appendix	p. 253
A Modifying a Database	p. 253
A.1 Why Modify a Database?	p. 253
A.1.1 Adding Arsenic Data to Phreeqc	p. 254
References	p. 261
Index	p. 281

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