Modelling in Ecotoxicology (eBook)

Front Cover 1
Modelling in Ecotoxicology 4
Copyright Page 5
Table of Contents 6
PART A: ECOTOXICOLOGICAL MODELS: GENERAL CONSIDERATIONS 12
CHAPTER 1. INTRODUCTION 14
1.1 Needs of models in ecotoxicology 14
CHAPTER 2. MODELLING CONCEPTS 18
2.1 Modelling and ecotoxicology 18
2.2 Definitions of modelling elements 20
2.3 The modelling procedure 23
2.4 Types of models 31
2.5 Characteristic features of ecotoxicological models 36
CHAPTER 3. USE OF ECOTOXICOLOGICAL MODELS IN MANAGEMENT 40
3.1 Complexity of ecotoxicological models 40
3.2 Characteristic features of ecotoxicological models 43
3.3 An overview: The application of models in ecotoxicology 51
CHAPTER 4. ESTIMATION OF PHYSICAL-CHEMICAL PARAMETERS IN ECOTOXICOLOGY 54
4.1 Use of Benchmark Chemicals 54
4.2 Estimation of critical temperature and boiling point 55
4.3 Estimation of Henry's Constant and the vapour pressure 56
4.4 Estimation of solubility and partition coefficient 57
4.5 Estimation of adsorption isotherms 61
4.6 Estimation of air/soil exhange coefficients 62
4.7 Estimation of the air/water exchange coefficient 63
4.8 Estimation of evaporation rate 66
4.9 Estimation of the hydrolysis rate coefficient 66
4.10 Estimation of photochemical reaction rate coefficients 67
4.11 Summary 69
CHAPTER 5. ESTIMATION OF BIOLOGICAL PARAMETERS IN ECOTOXICOLOGY 72
5.1 Estimation of bioconcentration and bioaccumulation 72
5.2 Estimation of the biodegradation rate 83
5.3 Esti matio n of toxicity 87
5.4 Summary 89
CHAPTER 6. TYPES OF MODELSOF PARTICULAR INTEREST IN ECOTOXICOLOGY 92
6.1 Application of models in ecotoxicology 92
6.2 Models with risk assessment component 94
6.3 Fugacity models 97
PART B: CASE STUDIES OF ECOTOXICOLOGICAL MODELS 102
CHAPTER 7. MODELLING THE DISTRIBUTION OF CHROMIUM IN A DANISH FIRTH 108
7.1 Case study description 108
7.2 Model description 109
7.3 Application of the model for environmental management 116
CHAPTER 8. CONTAMINATION OF AGRICULTURAL PRODUCTS BY CADMIUM AND LEAD 118
8.1 Introduction 118
8.2 Sources of cadmium and lead contaminiation in a griculture 120
8.3 The model 120
8.4 Model results 123
8.5 Discussion and conclusions 124
CHAPTER 9. MODELLING THE RELEASE OF COPPER FROM LAKE-SEDIMENT 126
9.1 Introduction 126
9.2 Overview of the exchange processes 127
9.3 A case study: Frederiksborg Castle Lake 130
9.4 Conclusions and further research needs 134
CHAPTER 10. A MERCURY MODEL FOR MEX BAY, ALEXANDRIA 138
10.1 Description of the mercury problem in Mex Bay 138
10.2 Description of the model 140
10.3 Model results 145
10.4 Conclusions and further research needs 150
CHAPTER 11. MODELLING POLLUTANT EXCHANGE BETWEEN PLANT AND ENVIRONMENT: UPTAKE AND METABOLISM OF SULPHUR DIOXIDE BY DIFFERENT LEAF CELL COMPARTMENTS 152
11.1 Introduction 152
11.2 Model description 153
11.3 Model results 164
11.4 Discussion 172
CHAPTER 12. ATMOSPHERIC TRANSPORT OF SULPHUR DIOXIDE ON A LOCAL SCALE: A CASE STUDY 176
12.1 Introduction 176
12.2 Energy characterization of the unit of analysis and airborne emissions 179
12.3 Transport and fate of sulphur dioxide on a local scale 181
12.4 Discussion and conclusions 196
12.5 Epilogue 198
CHAPTER 13. SIMULATION AND DATA ANALYSIS OF FOUR CHLOROBENZENES IN A LARGE LAKE SYSTEM (LAKE ONTARIO) WITH TOXFATE, A CONTAMINANT FATE MODEL 200
13.1 Introduction 200
13.2 Theoretical considerations 201
13.3 Past loadings estimates 208
13.4 Lake Ontario data 210
13.5 Model simulation 212
13.6 Discussion 215
13.7 Acknowledgments 216
CHAPTER 14. PESTICIDE TRANSFORMATIONS AND MOVEMENT IN SOILS 218
14.1 Introduction 218
14.2 Pesticide transformations in soils 219
14.3 Movement of pesticides 225
14.4 Conclusion 231
CHAPTER 15 A. SOFTWARE 'ECOTOX' FOR ESTIMATION OF ECOTOXICOLOGICAL PARAMETERS 236
15.1 Why use a software program to estimate parameters in ecotoxicology? 236
15.2 How does the software function? 236
15.3 Ability of the program 238
15.4 Some of the estimation routes through the software 'Ecotox' 239
15.5 Calculation examples 242
15.6 Discussion of the results 278
15.7 Conclusion 279
APPENDIX 1: PROPERTIES AND CHARACTERISTICS OF BENCHMARK CHEMICALS 280
APPENDIX 2: TABLES FOR ESTIMATION OF PHYSICAL-CHEMICAL PARAMETERS 288
APPENDIX 3: PARAMETERS FOR VARIOUS ELEMENTS AND CHEMICAL COMPOUNDS, AND Lw = f(latitude) 310
APPENDIX 4: TOXICITY DATA AND ESTIMATION METHODS 320
APPENDIX 5: FUGACITY MODEL 336
APPENDIX 6: BIODEGRADABILITY 340
REFERENCES of the general Chapters 1-6, Chapter 15, and the Appendices 1-6 344
LIST OF AUTHORS 350
INDEX 352