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Index
Cover
TitlePage
Copyright
Contents
Preface
About the Companion Website
Chapter 1 General Topic and Overview
1.1 Introduction
1.2 Assessing Organic Chemicals in the Environment
1.3 What is This Book All About?
1.4 Bibliography
Part I Background Knowledge
Chapter 2 Background Knowledge on Organic Chemicals
2.1 The Makeup of Organic Compounds
2.2 Intermolecular Forces Between Uncharged Molecules
2.3 Questions and Problems
2.4 Bibliography
Chapter 3 The Amazing World of Anthropogenic Organic Chemicals
3.1 Introduction
3.2 A Lasting Global Problem: Persistent Organic Pollutants (POPs)
3.3 Natural but Nevertheless Problematic: Petroleum Hydrocarbons
3.4 Notorious Air and Groundwater Pollutants: Organic Solvents
3.5 Safety First: Flame Retardants All Around Us
3.6 How to Make Materials “Repellent”: Polyfluorinated Chemicals (PFCs)
3.7 From Washing Machines to Surface Waters: Complexing Agents, Surfactants, Whitening Agents, and Corrosion Inhibitors
3.8 Health, Well-Being, and Water Pollution: Pharmaceuticals and Personal Care Products
3.9 Fighting Pests: Herbicides, Insecticides, and Fungicides
3.10 Our Companion Compounds: Representative Model Chemicals
3.11 Questions
3.12 Bibliography
Chapter 4 Background Thermodynamics, Equilibrium Partitioning and Acidity Constants
4.1 Important Thermodynamic Functions
4.2 Using Thermodynamic Functions to Quantify Equilibrium Partitioning
4.3 Organic Acids and Bases I: Acidity Constant and Speciation in Natural Waters
4.4 Organic Acids and Bases II: Chemical Structure and Acidity Constant
4.5 Questions and Problems
4.6 Bibliography
Chapter 5 Earth Systems and Compartments
5.1 Introduction
5.2 The Atmosphere
5.3 Surface Waters and Sediments
5.4 Soil and Groundwater
5.5 Biota
5.5 Questions
5.7 Bibliography
Chapter 6 Environmental Systems: Physical Processes and Mathematical Modeling
6.1 Systems and Models
6.2 Box Models: A Concept for a Simple World
6.3 When Space Matters: Transport Processes
6.4 Models in Space and Time
6.5 Questions and Problems
6.6 Bibliography
Part II Equilibrium Partitioning in Well-Defined Systems
Chapter 7 Partitioning Between Bulk Phases: General Aspects and Modeling Approaches
7.1 Introduction
7.2 Molecular Interactions Governing Bulk Phase Partitioning of Organic Chemicals
7.3 Quantitative Approaches to Estimate Bulk Phase Partition Constants/Coefficients: Linear Free Energy Relationships (LFERs)
7.4 Questions
7.5 Bibliography
Chapter 8 Vapor Pressure (pi*)
8.1 Introduction and Theoretical Background
8.2 Molecular Interactions Governing Vapor Pressure and Vapor Pressure Estimation Methods
8.3 Questions and Problems
8.4 Bibliography
Chapter 9 Solubility (Csatiw) and Activity Coefficient (γsatiw)in Water; Air–Water Partition Constant (Kiaw)
9.1 Introduction and Thermodynamic Considerations
9.2 Molecular Interactions Governing the Aqueous Activity Coefficient and the Air–Water Partition Constant
9.3 LFERs for Estimating Air–Water Partition Constants and Aqueous Activity Coefficients/Aqueous Solubilities
9.4 Effect of Temperature, Dissolved Salts, and pH on the Aqueous Activity Coefficient/Aqueous Solubility and on the Air–Water Partition Constant
9.5 Questions and Problems
9.6 Bibliography
Chapter 10 Organic Liquid–Air and Organic Liquid–Water Partitioning
10.1 Introduction
10.2 Thermodynamic Considerations and Comparisons of Different Organic Solvents
10.3 The Octanol–Water System: The Atom/Fragment Contribution Method for Estimation of the Octanol–Water Partition Constant
10.4 Partitioning Involving Organic Solvent–Water Mixtures
10.5 Evaporation and Dissolution of Organic Compounds from Organic Liquid Mixtures–Equilibrium Considerations
10.6 Questions and Problems
10.7 Bibliography
Chapter 11 Partitioning of Nonionic Organic Compounds Between well-Defined Surfaces and Air Or Water
11.1 Introduction
11.2 Adsorption from Air to Well-Defined Surfaces
11.3 Adsorption from Water to Inorganic Surfaces
11.4 Questions and Problems
11.5 Bibliography
Part III Equilibrium Partitioning in Environmental Systems
Chapter 12 General Introduction to Sorption Processes
12.1 Introduction
12.2 Sorption Isotherms and the Solid–Water Equilibrium Distribution Coefficient (Kid)
12.3 Speciation (Sorbed versus Dissolved or Gaseous), Retardation, and Sedimentation
12.4 Questions and Problems
12.5 Bibliography
Chapter 13 Sorption from Water to Natural Organic Matter (NOM)
13.1 The Structural Diversity of Natural Organic Matter Present in Aquatic and Terrestrial Environments
13.2 Quantifying Natural Organic Matter–Water Partitioning of Neutral Organic Compounds
13.3 Sorption of Organic Acids and Bases to Natural Organic Matter
13.4 Questions and Problems
13.5 Bibliography
Chapter 14 Sorption of Ionic Organic Compounds to Charged Surfaces
14.1 Introduction
14.2 Cation and Anion Exchange Capacities of Solids in Water
14.3 Ion Exchange: Nonspecific Adsorption of Ionized Organic Chemicals from Aqueous Solutions to Charged Surfaces
14.4 Surface Complexation: Specific Bonding of Organic Compounds with Solid Phases in Water
14.5 Questions and Problems
14.6 Bibliography
Chapter 15 Aerosol–Air Partitioning: Dry and Wet Deposition of Organic Pollutants
15.1 Origins and Properties of Atmospheric Aerosols
15.2 Assessing Aerosol–Air Partition Coefficients (KiPMa)
15.3 Dry and Wet Deposition
15.4 Questions and Problems
15.5 Bibliography
Chapter 16 Equilibrium Partitioning from Water and Air to Biota
16.1 Introduction
16.2 Predicting Biota–Water and Biota–Air Equilibrium Partitioning
16.3 Bioaccumulation and Biomagnification in Aquatic Systems
16.4 Bioaccumulation and Biomagnification in Terrestrial Systems
16.5 Baseline Toxicity (Narcosis)
16.6 Questions and Problems
16.7 Bibliography
Part IV Mass Transfer Processes in Environmental Systems
Chapter 17 Random Motion, Molecular and Turbulent Diffusivity
17.1 Random Motion
17.2 Molecular Diffusion
17.3 Other Random Transport Processes in the Environment
17.4 Questions and Problems
17.5 Bibliography
Chapter 18 Transport at Boundaries
18.1 The Role of Boundaries in the Environment
18.2 Bottleneck Boundaries
18.3 Wall Boundaries
18.4 Hybrid Boundaries
18.5 Questions and Problems
18.6 Bibliography
Chapter 19 Air–Water Exchange
19.1 The Air–Water Interface
19.2 Air–Water Exchange Models
19.3 Measurement of Air–Water Exchange Velocities
19.4 Air–Water Exchange in Flowing Waters
19.5 Questions and Problems
19.6 Bibliography
Chapter 20 Interfaces Involving Solids
20.1 The Sediment–Water Interface
20.2 Transport in Unsaturated Soil
20.3 Questions and Problems
20.4 Bibliography
Part V Transformation Processes
Chapter 21 Background Knowledge on Transformation Reactions of Organic Pollutants
21.1 Identifying Reactive Sites Within Organic Molecules
21.2 Thermodynamics of Transformation Reactions
21.3 Kinetics of Transformation Reactions
21.4 Questions and Problems
21.5 Bibliography
Chapter 22 Hydrolysis and Reactions with Other Nucleophiles
22.1 Nucleophilic Substitution and Elimination Reactions Involving Primarily Saturated Carbon Atoms
22.2 Hydrolytic Reactions of Carboxylic and Carbonic Acid Derivatives
22.3 Enzyme-Catalyzed Hydrolysis Reactions: Hydrolases
22.4 Questions and Problems
22.5 Bibliography
Chapter 23 Redox Reactions
23.1 Introduction
23.2 Evaluating the Thermodynamics of Redox Reactions
23.3 Examples of Chemical Redox Reactions in Natural Systems
23.4 Examples of Enzyme-Catalyzed Redox Reactions
23.5 Questions and Problems
23.6 Bibliography
Chapter 24 Direct Photolysis in Aquatic Systems
24.1 Introduction
24.2 Some Basic Principles of Photochemistry
24.3 Light Absorption by Organic Compounds in Natural Waters
24.4 Quantum Yield and Rate of Direct Photolysis
24.5 Effects of Solid Sorbents (Particles, Soil Surfaces, Ice) on Direct Photolysis
24.6 Questions and Problems
24.7 Bibliography
Chapter 25 Indirect Photolysis: Reactions with Photooxidants in Natural Waters and in the Atmosphere
25.1 Introduction
25.2 Indirect Photolysis in Surface Waters
25.3 Indirect Photolysis in the Atmosphere (Troposphere): Reaction with Hydroxyl Radical (HO•)
25.4 Questions and Problems
25.6 Bibliography
Chapter 26 Biotransformations
26.1 Introduction
26.2 Some Important Concepts about Microorganisms Relevant to Biotransformations
26.3 Initial Biotransformation Strategies
26.4 Rates of Biotransformations
26.5 Questions and Problems
26.6 Bibliography
Chapter 27 Assessing Transformation Processes Using Compound-Specific Isotope Analysis (CSIA)
27.1 Introduction, Methodology, and Theoretical Background
27.2 Using CSIA for Assessing Organic Compound Transformations in Laboratory and Field Systems
27.3 Questions and Problems
27.4 Bibliography
Part VI Putting Everything Together
Chapter 28 Exposure Assessment of Organic Pollutants Using Simple Modeling Approaches
28.1 One-Box Model: The Universal Tool for Process Integration
28.2 Assessing Equilibrium Partitioning in Simple Multimedia Systems
28.3 Simple Dynamic Systems
28.4 Systems Driven by Advection
28.5 Bibliography
Appendix A Mathematics
Appendix B Physical Constants and Units
Appendix C Physical Properties of Organic Compounds
Appendix D Temperature Dependence of Equilibrium Constants and Rate Constants
Appendix E Estimation of Gas-Phase Hydroxyl Radical Reaction Rate Constants of Organic Chemicals
Index
EULA
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