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• 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