Preface ......................................................... v
Foreword ...................................................... vii
List of Contributors ........................................... ix
PART I. BASIC THEORY AND MODELLING
Chapter 1 AN INTRODUCTION TO MODELLING OF POLLUTANTS IN
THE ENVIRONMENT ................................................. 3
T.M. Letcher
1 Introduction ................................................. 3
2 Partition Coefficients ....................................... 3
3 Model Environments ........................................... 7
4 Equilibrium Partition ........................................ 7
5 Environmental Distribution ................................... 9
6 Environmental Distribution Using a Flow Model ............... 11
7 Accumulation of Chemicals in the Food Chain ................. 15
Chapter 2 MODELING THE SOLUBILITY IN WATER OF
ENVIRONMENTALLY IMPORTANT ORGANIC COMPOUNDS .................... 17
E. Estrada, E.J. Delgado, and Y. Simón-Manso
1 Introduction ................................................ 17
2 Quantum Chemistry Methods ................................... 19
3 Experiment-Based QSPR Modeling .............................. 20
4 Structure-Based QSPR Modeling ............................... 21
5 The Quantum-Connectivity Indices ............................ 23
6 Modeling Solubility with Quantum-Connectivity ............... 25
7 Concluding Remarks .......................................... 28
Chapter 3 Modeling of Contaminant Leaching .................... 33
M. Diaz and D. Apul
1 Overview of Significance .................................... 33
2 Geochemical Modeling ........................................ 34
3 Summary ..................................................... 46
PART II. INDUSTRY AND MINING
Chapter 4 SUPERCRITICAL FLUIDS AND REDUCTIONS IN
ENVIRONMENTAL POLLUTION ........................................ 51
K. Yamanaka and H. Ohtaki
1 Introduction ................................................ 51
2 Supercritical Fluids ........................................ 51
3 References for Thermodynamic Properties of Supercritical
Fluids ...................................................... 55
4 Solubility of Electrolytes and Non-Electrolytes in
Supercritical Fluids ........................................ 60
5 Structure of Supercritical Water ............................ 65
6 Application of Supercritical Fluids for Reducing
Pollutants .................................................. 76
7 Concluding Remarks .......................................... 81
Chapter 5 Phase Equilibrium Studies on Ionic Liquid Systems
for Industrial Separation Processes of Complex Organic
Mixtures ....................................................... 85
P. Ready and T.M. Letcher
1 Introduction ................................................ 85
2 Solubility Studies on Ionic Liquid-Organic Mixtures and
Application to Liquid-Liquid Extraction ..................... 88
3 The Determination of Activity Coefficients at Infinite
Dilution for the Selection of Entrainers in Extractive
Distillation ............................................... 100
4 Assessment of the Potential of Ionic Liquids as Solvents
in Separation Processes .................................... 105
5 Conclusion ................................................. 107
Appendix I .................................................... 107
Chapter 6 ENVIRONMENTAL AND SOLUBILITY ISSUES RELATED TO
NOVEL CORROSION CONTROL ....................................... 113
W.J. van Ooij and P. Puomi
1. Introduction ............................................... 113
2 Corrosion of Industrially Important Metals ................. 115
3 The Layers Protecting the Base Metals ...................... 117
4 Superprimers on Metals ..................................... 125
5 Summary/Conclusions ........................................ 133
Chapter 7 THE BEHAVIOR OF IRON AND ALUMINUM IN ACID MINE
DRAINAGE: SPECIATION, MINERALOGY, AND ENVIRONMENTAL
SIGNIFICANCE .................................................. 137
J.S. España
1 Introduction ............................................... 137
2 Geochemistry and Mineralogy of Iron and Aluminum in AMD .... 138
3 Environmental Significance ................................. 144
4 Conclusions ................................................ 148
PART III. RADIOACTIVE WASTES
Chapter 8 An Evaluation of Solubility Limits on Maximum
Uranium Concentrations in Groundwater ......................... 153
T. Iwatsuki and R.C. Arthur
1 Introduction ............................................... 153
2 Geologic Setting of the Tono Uranium Deposit ............... 154
3 Geochemical Constraints on Uranium Solubility .............. 156
4 Evaluation of Uranium Solubility ........................... 160
5 Conclusions ................................................ 166
Chapter 9 LEACHING FROM CEMENTITIOUS MATERIALS USED IN
RADIOACTIVE WASTE DISPOSAL SITES .............................. 169
K. Yokozeki
1 Introduction ............................................... 169
2 Radioactive Waste Disposal Site and Concrete ............... 169
3 Leaching from Cementitious Materials ....................... 170
4 Method for Predicting Durability of Concrete ............... 172
5 Measures Against Leaching Degradation ...................... 179
6 Conclusions ................................................ 184
PART IV. AIR, WATER, SOIL AND REMEDIATION
Chapter 10 SOLUBILITY OF CARBON DIOXIDE IN NATURAL SYSTEMS .... 189
J. Salminen, P. Kobylin and A. Ojala
1. Carbon Dioxide: A Natural Reagent .......................... 189
2 Aqueous Speciation of CO2 .................................. 191
3 Multiphase Thermodynamic System ............................ 192
4 Modelling Natural Systems .................................. 196
5 Concluding Remarks ......................................... 202
Chapter 11 ESTIMATION OF THE VOLATILIZATION OF ORGANIC
CHEMICALS FROM SOIL ........................................... 205
E. Voutsas
1 Introduction ............................................... 205
2 Physicochemical Properties of Chemicals .................... 207
3 Factors Influencing Volatilization ......................... 210
4 Estimation of Volatilization of Chemicals from Soil ........ 214
5 Thermodynamics of Persistent Organic Chemicals: The
Equilibrium Partitioning Approach .......................... 220
Chapter 12 Solubility and the Phytoextraction of Arsenic
from Soils by Two Different Fern Species ...................... 229
V. Campos
1 Introduction ............................................... 229
2 Materials and Methods ...................................... 232
3 Results and Discussion ..................................... 236
4 Conclusions ................................................ 239
Chapter 13 ENVIRONMENTAL ISSUES OF GASOLINE ADDITIVES -
AQUEOUS SOLUBILITY AND SPILLS ................................. 245
J. Bergendahl
1 Introduction ............................................... 245
2 Common Oxygenates and Octane Boosters ...................... 246
3 Releases to the Environment ................................ 251
4 Conclusions ................................................ 257
Chapter 14 Ecotoxicity of Ionic Liquids in an Aquatic
Environment ................................................... 259
D. Pieraccini, C. Chiappe, L. Intorre and C. Pretti
1 Introduction ............................................... 259
2 Lipophilicity .............................................. 260
3 Biodegradability ........................................... 260
4 Aquatic Toxicity ........................................... 262
5 Conclusions ................................................ 276
Chapter 15 Rhamnolipid Biosurfactants: Solubility and
Environmental Issues .......................................... 279
C.N. Mulligan
1 Introduction ............................................... 279
2 Background to Rhamnolipids ................................. 280
3 Enhanced Biodegradation of Recalcitrant Compounds .......... 281
4 Ex Situ Washing ............................................ 285
5 In Situ Rushing Applications ............................... 291
6 Micellar Enhanced Ultrafiltration of Contaminated Water .... 294
7 Conclusions ................................................ 295
Chapter 16 Sorption, Lipophilicity and Partitioning
Phenomena of Ionic Liquids in Environmental Systems ........... 299
P. Stepnowski
1 Introduction ............................................... 299
2 Ionic Liquids .............................................. 300
3 Sorption of Ionic Liquids in the Environment ............... 301
4 Lipophilicity and the Partitioning of Ionic Liquids ........ 307
5 Conclusions ................................................ 311
Chapter 17 The Solubility of Hydroxyaluminosilicates and the
Biological Availability of Aluminium .......................... 315
C. Exley
1 What are Hydroxyaluminosilicates? .......................... 315
2 A Summary of the Evidence .................................. 316
3 What Next for Hydroxyaluminosilicates? ..................... 320
4 Hydroxyaluminosilicates and the Biological Availability
of Aluminium ............................................... 321
Chapter 18 APATITE GROUP MINERALS: SOLUBILITY AND
ENVIRONMENTAL REMEDIATION ..................................... 327
M.C.E. Magalhães and P.A. Williams
1 Introduction ............................................... 327
2 Apatite Group Minerals ..................................... 327
3 Lead Phosphate Minerals .................................... 329
4 Arsenate Minerals .......................................... 332
5 Conclusions ................................................ 336
PART V. POLYMER RELATED ISSUES
Chapter 19 SOLUBILITY OF GASES AND VAPORS IN POLYLACTIDE
POLYMERS ...................................................... 343
R.A. Auras
1 Introduction ............................................... 343
2 Polymer/Chemical Interactions .............................. 344
3 Theoretical Considerations ................................. 344
4 Factors Affecting Mass Transfer in Polymers ................ 349
5 Polylactides ............................................... 352
6 Polylactide Barrier Properties ............................. 354
7 Regular Solution Theory: Solubility Parameter Predictions .. 362
Chapter 20 BIODEGRADABLE MATERIAL OBTAINED FROM RENEWABLE
RESOURCE: PLASTICIZED SODIUM CASEINATE FILMS .................. 369
J.-L. Audic, F. Fourcade and B. Chaufer
1 Introduction ............................................... 369
2 Experimental Section ....................................... 371
3 Results and Discussion ..................................... 374
4 Conclusion ................................................. 380
Chapter 21 SUPERCRITICAL CARBON DIOXIDE AS A GREEN SOLVENT
FOR POLYMER SYNTHESIS ......................................... 383
C.D. Wood, B. Tan, H. Zhang and A.I. Cooper
1 Introduction ............................................... 383
2 Porous Materials and Supercritical Fluids .................. 384
3 C02 as a Pressure-Adjustable Template/Porogen .............. 384
4 Templating of Supercritical Fluid Emulsions ................ 386
5 Polymer Solubility in CO2 .................................. 388
6 High-Throughput Solubility Measurements in CO2 ............. 390
7 Inexpensive and Biodegradable CO2-Philes ................... 390
8 Conclusions ................................................ 392
Chapter 22 SOLUBILITY OF PLASTICIZERS, POLYMERS AND
ENVIRONMENTAL POLLUTION ....................................... 397
E. Białecka-Florjańczyk and Z. Florjańczyk
1 Introduction ............................................... 397
2 Solubility Parameters as a Guide for Plasticizer
Selection .................................................. 400
3 Environmental and Health Issues ............................ 403
4 Concluding Remarks ......................................... 407
PART VI. PESTICIDES AND POLLUTION EXPOSURE IN HUMANS
Chapter 23 SOLUBILITY ISSUES IN ENVIRONMENTAL POLLUTION ....... 411
A. Arce and A. Soto
1 Solubility Issues in Environmental Pollution ............... 411
2 Absorption of SO2 by Seawater .............................. 412
3 Replacement of MTBE by Other Tertiary Ethers ............... 416
4 Desulphurization of Fuel Oils with Ionic Liquids ........... 420
Chapter 24 HAZARD IDENTIFICATION AND HUMAN EXPOSURE TO
PESTICIDES .................................................... 429
A. Garrido Frenich, F.J. Egea González, A. Marín Juan and
J.L. Martínez Vidal
1 Introduction ............................................... 429
2 Priority Properties Affecting the Hazards of Pesticides .... 431
3 Hazard Identification and Mechanisms of Toxicity ........... 433
4 Human Exposure Assessment .................................. 435
5 Conclusions ................................................ 440
Chapter 25 Solubility and Body Fluids ......................... 445
E. Königsberger and L.-C. Königsberger
1 Introduction ............................................... 445
2 Body Fluids ................................................ 446
3 Solubility Phenomena in Body Fluids ........................ 448
4 Conclusion ................................................. 457
Index ......................................................... 463
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