Thermodynamics, Solubility and Environmental Issues (eBook)

Cover 1
Copyright page 5
Preface 6
Foreword 8
List of Contributors 10
Table of Contents 16
Part I: Basic Theory and Modelling 24
Chapter 1. An Introduction to Modelling of Pollutants in the Environment 26
1. Introduction 26
2. Partition Coefficients 26
3. Model Environments 30
4. Equilibrium Partition 30
5. Environmental Distribution 32
6. Environmental Distribution Using a Flow Model 34
7. Accumulation of Chemicals in the Food Chain 38
Chapter 2. Modeling the Solubility in Water of Environmentally Important Organic Compounds 40
1. Introduction 40
2. Quantum Chemistry Methods 42
3. Experiment-Based QSPR Modeling 43
4. Structure-Based QSPR Modeling 44
5. The Quantum-Connectivity Indices 46
6. Modeling Solubility with Quantum-Connectivity 48
7. Concluding Remarks 51
Chapter 3. Modeling of Contaminant Leaching 56
1. Overview of Significance 56
2. Geochemical Modeling 57
3. Summary 69
Part II: Industry and Mining 72
Chapter 4. Supercritical Fluids and Reductions in Environmental Pollution 74
1. Introduction 74
2. Supercritical Fluids 74
3. References for Thermodynamic Properties of Supercritical Fluids 78
4. Solubility of Electrolytes and Non-Electrolytes in Supercritical Fluids 83
5. Structure of Supercritical Water 88
6. Application of Supercritical Fluids for Reducing Pollutants 99
7. Concluding Remarks 104
Chapter 5. Phase Equilibrium Studies on Ionic Liquid Systems for Industrial Separation Processes of Complex Organic Mixtures 108
1. Introduction 108
2. Solubility Studies on Ionic Liquid–Organic Mixtures and Application to Liquid–Liquid Extraction 111
3. The Determination of Activity Coefficients at Infinite Dilution for the Selection of Entrainers in Extractive Distillation 123
4. Assessment of the Potential of Ionic Liquids as Solvents in Separation Processes 128
5. Conclusion 130
Appendix I: List of Abbreviations for Ionic Liquid Nomenclature 130
Chapter 6. Environmental and Solubility Issues Related to Novel Corrosion Control 136
1. Introduction 136
2. Corrosion of Industrially Important Metals 138
3. The Layers Protecting the Base Metals 140
4. Superprimers on Metals 148
5. Summary/Conclusions 156
Chapter 7. The Behavior of Iron and Aluminum in Acid Mine Drainage: Speciation, Mineralogy, and Environmental Significance 160
1. Introduction 160
2. Geochemistry and Mineralogy of Iron and Aluminum in AMD 161
3. Environmental Significance 167
4. Conclusions 171
Part III: Radioactive Wastes 174
Chapter 8. An Evaluation of Solubility Limits on Maximum Uranium Concentrations in Groundwater 176
1. Introduction 176
2. Geologic Setting of the Tono Uranium Deposit 177
3. Geochemical Constraints on Uranium Solubility 179
4. Evaluation of Uranium Solubility 183
5. Conclusions 189
Chapter 9. Leaching from Cementitious Materials Used in Radioactive Waste Disposal Sites 192
1. Introduction 192
2. Radioactive Waste Disposal Site and Concrete 192
3. Leaching from Cementitious Materials 193
4. Method for Predicting Durability of Concrete 195
5. Measures Against Leaching Degradation 202
6. Conclusions 207
Part IV: Air, Water, Soil and Remediation 210
Chapter 10. Solubility of Carbon Dioxide in Natural Systems 212
1. Carbon Dioxide: A Natural Reagent 212
2. Aqueous Speciation of Co2 214
3. Multiphase Thermodynamic System 215
4. Modeling Natural Systems 219
5. Concluding Remarks 225
Chapter 11. Estimation of the Volatilization of Organic Chemicals from Soil 228
1. Introduction 228
2. Physicochemical Properties of Chemicals 230
3. Factors Influencing Volatilization 233
4. Estimation of Volatilization of Chemicals from Soil 237
5. Thermodynamics of Persistent Organic Chemicals: The Equilibrium Partitioning Approach 243
Chapter 12. Solubility and the Phytoextraction of Arsenic from Soils by Two Different Fern Species 252
1. Introduction 252
2. Materials and Methods 255
3. Results and Discussion 259
4. Conclusions 262
Chapter 13. Environmental Issues of Gasoline Additives – Aqueous Solubility and Spills 268
1. Introduction 268
2. Common Oxygenates and Octane Boosters 269
3. Releases to the Environment 274
4. Conclusions 280
Chapter 14. Ecotoxicity of Ionic Liquids in an Aquatic Environment 282
1. Introduction 282
2. Lipophilicity 283
3. Biodegradability 283
4. Aquatic Toxicity 285
5. Conclusions 299
Chapter 15. Rhamnolipid Biosurfactants: Solubility and Environmental Issues 302
1. Introduction 302
2. Background on Rhamnolipids 303
3. Enhanced Biodegradation of Recalcitrant Compounds 304
4. Ex Situ Washing 308
5. In Situ Flushing Applications 314
6. Micellar Enhanced Ultrafiltration of Contaminated Water 317
7. Conclusions 318
Chapter 16. Sorption, Lipophilicity and Partitioning Phenomena of Ionic Liquids in Environmental Systems 322
1. Introduction 322
2. Ionic Liquids 323
3. Sorption of Ionic Liquids in the Environment 324
4. Lipophilicity and the Partitioning of Ionic Liquids 330
5. Conclusions 334
Chapter 17. The Solubility of Hydroxyaluminosilicates and the Biological Availability of Aluminium 338
1. What are Hydroxyaluminosilicates? 338
2. A Summary of the Evidence 339
3. What Next for Hydroxyaluminosilicates? 343
4. Hydroxyaluminosilicates and the Biological Availability of Aluminium 344
Chapter 18. Apatite Group Minerals: Solubility and Environmental Remediation 350
1. Introduction 350
2. Apatite Group Minerals 350
3. Lead Phosphate Minerals 352
4. Arsenate Minerals 355
5. Conclusions 359
Part V: Polymer Related Issues 364
Chapter 19. Solubility of Gases and Vapors in Polylactide Polymers 366
1. Introduction 366
2. Polymer/Chemical Interactions 367
3. Theoretical Considerations 367
4. Factors Affecting Mass Transfer in Polymers 372
5. Polylactides 375
6. Polylactide Barrier Properties 377
7. Regular Solution Theory: Solubility Parameter Predictions 385
Chapter 20. Biodegradable Material Obtained from Renewable Resource: Plasticized Sodium Caseinate Films 392
1. Introduction 392
2. Experimental Section 394
3. Results and Discussion 397
4. Conclusion 403
Chapter 21. Supercritical Carbon Dioxide as a Green Solvent for Polymer Synthesis 406
1. Introduction 406
2. Porous Materials and Supercritical Fluids 407
3. Co2 as a Pressure-Adjustable Template/Porogen 407
4. Templating of Supercritical Fluid Emulsions 409
5. Polymer Solubility in Co2 411
6. High-Throughput Solubility Measurements in Co2 413
7. Inexpensive and Biodegradable Co2-Philes 413
8. Conclusions 415
Chapter 22. Solubility of Plasticizers, Polymers and Environmental Pollution 420
1. Introduction 420
2. Solubility Parameters as a Guide for Plasticizer Selection 423
3. Environmental and Health Issues 426
4. Concluding Remarks 430
Part VI: Pesticides and Pollution Exposure in Humans 432
Chapter 23. Solubility Issues in Environmental Pollution 434
1. Solubility Issues in Environmental Pollution 434
2. Absorption of So2 by Seawater 435
3. Replacement of MTBE by Other Tertiary Ethers 439
4. Desulphurization of Fuel Oils with Ionic Liquids 443
Chapter 24. Hazard Identification and Human Exposure to Pesticides 452
1. Introduction 452
2. Priority Properties Affecting the Hazards of Pesticides 454
3. Hazard Identification and Mechanisms of Toxicity 456
4. Human Exposure Assessment 458
5. Conclusions 463
Chapter 25. Solubility and Body Fluids 468
1. Introduction 468
2. Body Fluids 469
3. Solubility Phenomena in Body Fluids 471
4. Conclusion 480
Index 486