Multimedia environmental models: the fugacity approach

Cover......Page 1
Half Title......Page 2
Title Page......Page 4
Copyright Page......Page 5
Table of Contents......Page 6
Preface......Page 10
Acknowledgments......Page 12
Authors......Page 14
 1.1 Introduction......Page 16
  1.2.2 Closed Systems at Equilibrium......Page 18
  1.2.3 Open Systems at Steady State......Page 20
  1.2.4 Dynamic (Time-Variable) Open Systems......Page 24
 1.3 Steady State and Equilibrium......Page 32
 1.4 Residence and Characteristic Times......Page 33
 1.5 Transport Mechanisms......Page 35
  1.6.1 Partition Ratios......Page 36
  1.6.2 Hydrophobicity......Page 37
  1.6.4 Fugacity......Page 38
  1.6.5 Ionization......Page 39
  1.6.6 Reactivity and Persistence......Page 40
 Practice Problems for Chapter 1......Page 41
Chapter 2 Equilibrium Partitioning......Page 44
  2.1.2 Fugacity and Concentration......Page 45
 2.2 Properties of Pure Substances......Page 48
  2.3.1 Solution in the Gas Phase......Page 50
  2.3.2 Solution in Liquid Phases......Page 51
  2.3.3 Solutions of Ionizing Substances......Page 53
  2.4.1 Fugacity and Solubility Relationships......Page 55
  2.4.2 Air–Water Partitioning......Page 58
  2.4.5 Solubility in Water......Page 60
  2.4.7 Solubility of a Substance “in Itself”......Page 61
  2.5.1 Quantitative Structure–Property Relationships......Page 62
  2.5.2 Polyparameter Linear Free Energy Relationships......Page 64
  2.5.3 Solvation Theory Approaches......Page 65
  2.5.4 Key Environmental Thermodynamic Properties......Page 66
  2.6.1 Introduction......Page 68
  2.6.2 Organic Carbon–Water Partition Ratios......Page 69
  2.6.5 Aerosol–Air Partition Ratios......Page 71
  2.7.1 The Partition Ratio Approach......Page 73
  2.7.2 The Fugacity-Based Approach......Page 76
  2.7.3 Sorption by Dispersed Phases......Page 78
  2.7.5 Solutes of Negligible Volatility......Page 81
  2.7.6 Some Environmental Implications......Page 82
 Symbols and Definitions Introduced in Chapter 2......Page 84
 Practice Problems for Chapter 2......Page 85
Chapter 3 Advection and Reaction......Page 86
 3.1 Introduction......Page 87
  3.2.1 Advection Calculations......Page 89
  3.2.2 Advection, Fugacity, and D-Values......Page 90
  3.2.3 Advective Processes......Page 93
  3.3.2 Reaction Rate Expressions......Page 95
  3.3.3 Non-First-Order Kinetics......Page 96
  3.3.4 Partition Ratio Approach to Chemical Degradation......Page 97
  3.3.5 Fugacity Approach to Chemical Degradation......Page 98
  3.4.1 Combining Advection and Degradation Processes......Page 101
  3.4.2 Residence Time for Advective and Reactive Systems......Page 102
  3.4.3 Dynamic (Non-Steady State) Calculations......Page 103
 Symbols and Definitions Introduced in Chapter 3......Page 106
 Practice Problems for Chapter 3......Page 107
  4.1.1 Introduction......Page 108
  4.1.2 Non-Diffusive Processes......Page 109
  4.1.3 Diffusive Processes......Page 110
  4.1.4 Diffusive Mixing within a Phase......Page 111
  4.1.5 Mass-Transfer Coefficients......Page 112
  4.1.6 Diffusion with D-Values in Fugacity Format......Page 113
  4.1.7 Diffusion in Porous Media......Page 114
  4.2.1 Diffusivity and the MTC Approach......Page 116
  4.2.2 Fugacity/D-Value Approach......Page 121
  4.2.3 Measuring Transport D-Values......Page 123
  4.2.4 Combining Series and Parallel Processes......Page 128
  4.3.1 Introduction......Page 129
  4.3.2 D-Values in Intermedia Fugacity-Based Models......Page 130
  4.3.3 Equations for Mass Balance in Multimedia Fugacity-Based Models......Page 132
 Symbols and Definitions Introduced in Chapter 4......Page 135
 Practice Problem for Chapter 4......Page 136
 5.1 Level I Models......Page 138
 5.2 Level II Models and Calculations......Page 148
 5.3 Level III Models and Calculations......Page 155
 5.4 Level IV Models and Calculations......Page 169
 5.5 The EQC Model......Page 176
 Practice Problems for Chapter 5......Page 179
Chapter 6 Specific Fugacity Models and Calculations......Page 180
  6.1.2 Model-Building Strategies......Page 181
 6.2 Air–Water Exchange: The AirWater Model......Page 184
 6.3 Surface Soil Runoff and Infiltration: The Soil Model......Page 196
 6.4 Modeling Sediments: The Sediment Model......Page 208
 6.5 Quantitative Water–Air–Sediment Interaction: The QWASI Model for Lakes......Page 226
  6.5.1 QWASI Dynamic Model......Page 230
  6.6.1 Eulerian and Lagrangian Coordinate Systems......Page 241
 6.7 Chemical Fate in Sludge Amended Soils and Biopiles. The BASL4 Model......Page 244
 6.8 Long-Range Transport: The TaPL3 Model and Characteristic Travel Distances......Page 245
 6.9 Urban Environmental Models: The Multimedia Urban Model (MUM)......Page 252
 6.10 Indoor Air Models: The Indoor Model......Page 253
 6.11 Continental and Global Models......Page 256
 Symbols and Definitions Introduced in Chapter 6......Page 257
 7.1 Bioaccumulation, Bioconcentration, Biomagnification, TMFs: The FISH Model......Page 258
  7.1.1 Concentration Format......Page 259
  7.1.2 Bioconcentration of a Persistent (Non-Biotransforming) Chemical......Page 260
  7.1.4 Bioaccumulation in a Fish Including Dietary Uptake and Losses by Respiration, Fecal Egestion, Biotransformation, and Growth Dilution......Page 261
  7.1.4 Fugacity Format......Page 262
  7.1.5 Application of the FISH Bioaccumulation Model......Page 266
 7.2 Aquatic Food Webs......Page 274
 7.3 Bioaccumulation in Air-Breathing Organisms......Page 275
 7.4 Multi-Compartment/PBPK Models......Page 276
 Symbols and Definitions Introduced in Chapter 7......Page 277
 8.1 Comprehensive Multimedia Models Including Humans Exposure (e.g., The RAIDAR Model)......Page 278
 8.2 The PBT-LRT Attributes and the Stockholm Convention......Page 279
 8.3 Concluding Remarks......Page 282
Appendix A: Estimated Properties of Chemicals of Environmental Concern for use in Modeling Exercises......Page 284
Appendix B: Units......Page 290
References......Page 292
Index......Page 300