GEOCHEMICAL PROCESSES
CONTENTS INTRODUCTION CHARACTERISING SPATIAL HETEROGENEITY OF SOILS AT ANTHROPOGENIC SITES: THE TESTFELD SÜD RECONSTRUCTION OF SPATIALLY VARIABLE PEDOFACIES WITH A STRUCTURE-IMITATING STOCHASTIC APPROACH BASED ON MARKOV PROCESSES MARKOV CHAIN THEORY CONTINUOUS-LAG MARKOV CHAINS ASSESSING THE RISK FOR PAH DEEP SEEPAGE AT INDUSTRIAL CONTAMINATED SITES SUMMARY AND CONCLUSION REFERENCES TECHNOLOGY AND APPLICABILITY OF THE POSITRON EMISSION TOMOGRAPHY (PET) FOR TRANSPORT STUDIES IN SOIL COLUMNS TYPICAL RESULTS OF PET-STUDIES OF THE HYDRODYNAMICS IN SOIL COLUMNS EXPERIMENTAL PET-MEASUREMENTS OF TRACER DISTRIBUTION IN THE MODEL SOIL COLUMN CALCULATION OF VELOCITY DISTRIBUTIONS CONCEPTS OF MODELLING OF FLOW PROCESSES IN SOIL COLUMNS ESTIMATION OF PARAMETERS BY INVERSE MODELLING PARTITION OF THE COLUMN IN REGIONS WITH DIFFERENT FLOW CHARACTERISTICS MODELLING WITH REFERENCE TO THE DISPERSION MODEL SUPPORT OF CONVENTIONAL MEASURING TECHNIQUE THE THREE-DIMENSIONAL REACTIVE TRANSPORT MODELLING APPROACH FACIES-BASED CHARACTERIZATION OF HYDRAULIC AND HYDROGEOCHEMICAL AQUIFER PROPERTIES GENERATION OF THREE-DIMENSIONAL FACIES AND FIELDS OF HYDRAULIC AND HYDROGEOCHEMICAL AQUIFER PARAMETERS MODELLING OF FLOW AND REACTIVE TRANSPORT EXAMPLE OF APPLICATION CONCLUSIONS AND FUTURE WORK DATA BASIS FOR MODEL DEVELOPMENT THE MODEL (DIFFMOD7) MODEL CONCEPT DIFFUSIVE TRANSPORT PYRITE WEATHERING CONVECTIVE TRANSPORT COMPUTER IMPLEMENTATION OF MODEL AND USER INTERFACE EXAMPLE MODELLING COLUMN EXPERIMENTS RUNNING SCENARIOS FIELD TEST DISCUSSION SUMMARY GEOCHEMICAL SPECIATION AND SORPTION THE CONCEPT OF “SMART KD” APPLICATION CASE: SORPTION ONTO ROCKS APPLICATION CASE: COLLOIDS IN MINES APPLICATION CASE: URANIUM MIGRATION MINERAL-SPECIFIC SORPTION DATABASE GOVERNING EQUATIONS NONEQUILIBRIUM EQUATIONS EQUILIBRIUM EQUATIONS NUMERICAL METHOD SOFTWARE CONCEPT EXAMPLES NITRIFICATION PROCESS IN A POROUS COLUMN GEOCHEMICAL NONEQUILIBRIUM EFFECTS TCE TRANSFORMATION MATRIX DIFFUSION TWO-MEMBER DECAY CHAIN IN FRACTURE-MATRIX SYSTEM CONCLUSIONS REACTIVE TRANSPORT MODEL SMART STREAMTUBE APPROACH ACCOUNTING FOR REACTIVE PROCESSES NUMERICAL EVALUATION OF BREAKTHROUGH CURVES REACTIVE TRANSPORT OF PHENANTHRENE AND TERRASURF G50 CONCEPTUAL MODEL OF RELEVANT PROCESSES REMEDIATION SCENARIO PROCESS PARAMETERS CONSERVATIVE TRANSPORT DESCRIPTION REACTIVE TRANSPORT SIMULATIONS INFLUENCE OF AQUIFER PROPERTIES ON TRANSPORT OF PHE IMPACT OF NON-IONIC SURFACTANT TG50 ON TRANSPORT OF PHE SUMMARY AND CONCLUSIONS MATERIAL AND METHODS RESULTS STOEBBER WATERSHED ODERBRUCH UCKER WATERSHED THE “VIRTUAL AQUIFERS” – CONCEPT AS A TOOL FOR EVALUATION OF EXPLORATION, REMEDIATION AND MONITORING STRATEGIES EXAMPLES FOR THE USE OF THE VIRTUAL AQUIFER CONCEPT EFFECT OF SCREENING AND PUMPING RATE ON MEASURED CONCENTRATIONS IN A HETEROGENEOUS AQUIFER THE EFFECT OF MIXING IN AN OBSERVATION WELL ON EVALUATION OF NATURAL ATTENUATION PROCESSES IN A HETEROGENEOUS AQUIFER MONITORING OF NATURAL ATTENUATION IN A HETEROGENEOUS AQUIFER PROBLEMS AND REQUIREMENT FOR ADDITIONAL SCIENTIFIC RESEARCH THE “VIRTUAL AQUIFER” PROJECT WHY 2D-MODELLING OF TRANSPORT AND REACTIONS? WHY THE STUDY SITE ODERBRUCH? THE STUDY SITE: HYDRAULIC CONDUCTIVITY AND IRON(III) CONCENTRATION OF THE AQUIFER PRINCIPLE STRUCTURE OF THE TWO-STEP MODEL PHYSICAL TRANSPORT USING THE TECHNIQUE OF EXPLICIT DIFFERENCES GEOCHEMICAL REACTIONS CALIBRATION OF THE MODEL WITH MEASURED VALUES OF DOC VALIDATION OF THE MODEL WITH MEASURED VALUES FOR DISSOLVED IRON SITE AND MEASUREMENT DESCRIPTION HYDROGEOLOGY WATER CHEMISTRY MODELLING CONCEPT REACTION MODEL REACTIVE TRANSPORT SIMULATION MODEL IMPLEMENTATION MODEL APPLICATION 11 4 1 1 GENERIC PRECIPITATION/DISSOLUTION 11 4 1 2 PRECIPITATION/DISSOLUTION, CARBONATE AND ACID-BASED CHEMISTRY PARAMETERISATION 11 4 2 1 GENERIC PRECIPITATION/DISSOLUTION 11 4 2 2 PRECIPITATION/DISSOLUTION, CARBONATE AND ACID-BASED CHEMISTRY RESULTS FROM MEASUREMENTS AND MODELLING EXPERIMENTAL SET-UP AND ANALYTICAL METHODS MODELLING OF THE OXOANION BREAKTHROUGH DATA USED PARAMETERS DESCRIBING THE AVAILABLE SURFACE PH BUFFERING CELL NUMBER AND DIFFUSE LAYER OPTIONS MODEL RUNS USING THE SITE DENSITY OF AMORPHOUS IRON HYDROXIDE AND GOETHITE FITTING THE SITE DENSITIES PH MODELLING PROBLEMS OF UPSCALING THE TIME IN FE0 REACTIVE BARRIERS MICROBIALLY MEDIATED PROCESSES DEGRADATION RATES AND FLOW VELOCITY MINERAL REACTIONS, PASSIVATION AND DEGRADATION RATES COMPARING TWO APPROACHES FOR MODELLING NATURAL ATTENUATION OF ORGANIC COMPOUNDS IN HETEROGENEOUS POROUS MEDIA MODEL APPROACHES THE LAGRANGIAN MODEL THE EULERIAN MODEL REACTIVE TRANSPORT MODELLING OF THE ‘TESTFELD SÜD’ SITE RESULTS AND DISCUSSION ANAEROBIC DEGRADATION OF CHLORINATED ETHENES EVALUATION OF LITERATURE DATA APPLICATION OF REDOX CHEMICAL INFORMATION TO PREDICT DEGRADATION RATES A STEADY-STATE APPROACH TO PREDICT DEGRADATION RATES CONCLUSION SET-UP OF THE SOIL COLUMNS EXPERIMENT 1 EXPERIMENT 2 SET-UP OF THE NUMERICAL MODEL FLOW AND TRANSPORT MODEL DEGRADATION MODEL MODEL CALIBRATION TESTING OF HYPOTHESES ON THE INTERACTION BETWEEN TOLUENE AND XYLENE DEGRADATION INHIBITION OF XYLENE DEGRADATION BY A SUBSTANCE OTHER THAN TOLUENE COMPETITION FOR SULFATE DEGRADATION OF TOLUENE AND XYLENE BY A SINGLE MICROBIAL GROUP SIMULATION OF EXPERIMENT 2 CONCLUSIONS AND OUTLOOK