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Groundwater geochemistry: a practical guide to modeling of natural and contaminated aquatic systems

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Bibliographic Details
Main Authors:	Merkel, Broder 1949- (Author), Planer-Friedrich, Britta 1975- (Author)
Format:	Kit Book
Language:	English
Published:	Berlin [u.a.] Springer 2008
Edition:	2. ed.
Subjects:	Numerisches Modell Grundwasser Hydrogeochemie Mathematisches Modell Hydrochemie
Links:	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016486868&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Item Description:	Hier auch später erschienene, unveränderte Nachdrucke Softcover reprint of the hardcover 2nd edition 2008 ohne CD-ROM
Physical Description:	XI, 230 S. Ill., graph. Darst. 1 CD-ROM
ISBN:	9783540746676 3540746676 9783662517505

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adam_text	BRODER J. MERKEL * BRITTA PLANER-FRIEDRICH AUTHORS GROUNDWATER GEOCHEMISTRY A PRACTICAL GUIDE TO MODELING OF NATURAL AND CONTAMINATED AQUATIC SYSTEMS EDITED BY DARRELL KIRK NORDSTROM 2ND EDITION WITH CD-ROM 4Y SPRINGER TABLE OF CONTENTS 1 THEORETICAL BACKGROUND 1 1.1 EQUILIBRIUM REACTIONS 1 1.1.1 INTRODUCTION 1 1.1.2 THERMODYNAMIC FUNDAMENTALS 5 1.1.2.1 MASS-ACTION LAW 5 1.1.2.2 GIBBS FREE ENERGY 7 1.1.2.3 GIBBS PHASE RULE 8 1.1.2.4 ACTIVITY 8 1.1.2.5 IONIC STRENGTH 10 1.1.2.6 CALCULATION OF ACTIVITY COEFFICIENT 10 1.1.2.6.1. THEORY OF ION-ASSOCIATION 10 1.1.2.6.2. THEORY OF ION-INTERACTION 13 1.1.2.7 COMPARISON ION-ASSOCIATION VERSUS ION-INTERACTION THEORY 14 1.1.3 INTERACTIONS AT THE LIQUID-GASEOUS PHASE BOUNDARY 17 1.1.3.1 HENRY LAW 17 1.1.4 INTERACTIONS AT THE LIQUID-SOLID PHASE BOUNDARY 19 1.1.4.1 DISSOLUTION AND PRECIPITATION 19 1.1.4.1.1. SOLUBILITY-PRODUCT 19 1.1.4.1.2. SATURATION INDEX 22 1.1.4.1.3. LIMITING MINERAL PHASES 22 1.1.4.2 SORPTION 25 1.1.4.2.1. HYDROPHOBIC/HYDROPHILIC SUBSTANCES 25 1.1.4.2.2. ION EXCHANGE 25 1.1.4.2.3. MATHEMATICAL DESCRIPTION OF THE SORPTION 30 1.1.5 INTERACTIONS IN THE LIQUID PHASE 35 1.1.5.1 COMPLEXATION 35 1.1.5.2 REDOX PROCESSES 37 1.1.5.2.1. MEASUREMENT OF THE REDOX POTENTIAL 37 1.1.5.2.2. CALCULATION OF THE REDOX POTENTIAL 38 1.1.5.2.3. PRESENTATION IN PREDOMINANCE DIAGRAMS 43 1.1.5.2.4. REDOX BUFFER 47 1.1.5.2.5. SIGNIFICANCE OF REDOX REACTIONS 47 1.2 KINETICS 50 1.2.1 KINETICS OF VARIOUS CHEMICAL PROCESSES 50 1.2.1.1 HALF-LIFE 50 1.2.1.2 KINETICS OF MINERAL DISSOLUTION 51 1.2.2 CALCULATION OF THE REACTION RATE 52 1.2.2.1 SUBSEQUENT REACTIONS 53 VIII TABLE OF CONTENTS 1.2.2.2 PARALLEL REACTIONS 54 1.2.3 CONTROLLING FACTORS ON THE REACTION RATE 54 1.2.4 EMPIRICAL APPROACHES FOR KINETICALLY CONTROLLED REACTIONS 55 1.3 REACTIVE MASS TRANSPORT 58 1.3.1 INTRODUCTION 58 1.3.2 FLOW MODELS 58 1.3.3 TRANSPORT MODELS 59 1.3.3.1 DEFINITION 59 1.3.3.2 IDEALIZED TRANSPORT CONDITIONS 61 1.3.3.3 REAL TRANSPORT CONDITIONS 61 1.3.3.3.1. EXCHANGE WITHIN DOUBLE-POROSITY AQUIFERS 62 1.3.3.4 NUMERICAL METHODS OF TRANSPORT MODELING 63 1.3.3.4.1. FINITE-DIFFERENCE/FINITE-ELEMENT METHOD 65 1.3.3.4.2. COUPLED METHODS 66 2 HYDROGEOCHEMICAL MODELING PROGRAMS 69 2.1 GENERAL 69 2.1.1 GEOCHEMICAL ALGORITHMS 69 2.1.2 PROGRAMS BASED ON MINIMIZING FREE ENERGY 71 2.1.3 PROGRAMS BASED ON EQUILIBRIUM CONSTANTS 72 2.1.3.1 PHREEQC 72 2.1.3.2 EQ 3/6 74 2.1.4 THERMODYNAMIC DATABASES 76 2.1.4.1 GENERAL 76 2.1.4.2 STRUCTURE OF THERMODYNAMIC DATABASES 78 2.1.5 PROBLEMS AND SOURCES OF ERROR IN GEOCHEMICAL MODELING 81 2.2 USE OF PHREEQC 85 2.2.1 THE STRUCTURE OF PHREEQC AND ITS GRAPHICAL USER INTERFACES 85 2.2.1.1 INPUT 88 2.2.1.2 DATABASE 95 2.2.1.3 OUTPUT 96 2.2.1.4 GRID 97 2.2.1.5 CHART 97 2.2.2 INTRODUCTORY EXAMPLES FOR PHREEQC MODELING 97 2.2.2.1 EQUILIBRIUM REACTIONS 97 2.2.2.1.1. EXAMPLE 1 A STANDARD OUTPUT-SEAWATER ANALYSIS 98 2.2.2.1.2. EXAMPLE LB EQUILIBRIUM-SOLUTION OF GYPSUM 100 2.2.2.1.3. EXAMPLE LC EQUILIBRIUM-SOLUTION OF CALCITE WITH CO 2 .. 101 2.2.2.1.4. EXAMPLE ID: MODELING UNCERTAINTIES - LJUNGSKILE... 103 2.2.2.2 INTRODUCTORY EXAMPLE FOR SORPTION 107 2.2.2.3 INTRODUCTORY EXAMPLES FOR KINETICS 114 2.2.2.3.1. DEFINING REACTION RATES 115 2.2.2.3.2. BASIC WITHIN PHREEQC 117 2.2.2.4 INTRODUCTORY EXAMPLE FOR ISOTOPE FRACTIONATION 122 2.2.2.5 INTRODUCTORY EXAMPLES FOR REACTIVE MASS TRANSPORT 126 TABLE OF CONTENTS IX 2.2.2.5.1. SIMPLE ID TRANSPORT: COLUMN EXPERIMENT 126 2.2.2.5.2. ID TRANSPORT, DILUTION, AND SURFACE COMPLEXATION IN AN ABANDONED URANIUM MINE 130 2.2.2.5.3. 3D TRANSPORT WITH PHAST 134 3 EXERCISES 141 3.1 EQUILIBRIUM REACTIONS 143 3.1.1 GROUNDWATER - LITHOSPHERE : 143 3.1.1.1 STANDARD OUTPUT WELL ANALYSIS 143 3.1.1.2 EQUILIBRIUM REACTION - SOLUBILITY OF GYPSUM 144 3.1.1.3 DISEQUILIBRIUM REACTION - SOLUBILITY OF GYPSUM 144 3.1.1.4 TEMPERATURE DEPENDENCY OF GYPSUM SOLUBILITY IN WELL WATER... 144 3.1.1.5 TEMPERATURE DEPENDENCY OF GYPSUM SOLUBILITY IN PURE WATER...144 3.1.1.6 TEMPERATURE- AND P(CO 2 )-DEPENDENT CALCITE SOLUBILITY 144 3.1.1.7 CALCITE PRECIPITATION AND DOLOMITE DISSOLUTION 145 3.1.1.8 CALCITE SOLUBILITY IN AN OPEN AND A CLOSED SYSTEM. 145 3.1.1.9 PYRITE WEATHERING 145 3.1.2 ATMOSPHERE-GROUNDWATER-LITHOSPHERE 146 3.1.2.1 PRECIPITATION UNDER THE INFLUENCE OF SOILCO 2 146 3.1.2.2 BUFFERING SYSTEMS IN THE SOIL 147 3.1.2.3 MINERAL PRECIPITATES AT HOT SULFUR SPRINGS 147 3. 3. 3.1.3 3. 3. 3. .2.4 FORMATION OF STALACTITES INKARST CAVES 148 .2.5 EVAPORATION 149 GROUNDWATER 150 .3.1 THE PE-PH DIAGRAM FOR THE SYSTEM IRON 150 .3.2 THE FE PE-PH DIAGRAM CONSIDERING CARBON AND SULFUR 152 .3.3 THE PH DEPENDENCY OF URANIUM SPECIES 152 3.1.4 ORIGIN OF GROUNDWATER . 153 3.1.4.1 PUMPING OF FOSSIL GROUNDWATER IN ARID REGIONS 155 3.1.4.2 SALT WATER/FRESH WATER INTERFACE 156 3.1.5 ANTHROPOGENIC USE OF GROUNDWATER 157 3.1.5.1 SAMPLING: CA TITRATION WITH EDTA 157 3.1.5.2 CARBONIC ACID AGGRESSIVENESS 157 3.1.5.3 WATER TREATMENT BY AERATION - WELL WATER 158 3.1.5.4 WATER TREATMENT BY AERATION SULFUR SPRING 158 3.1.5.5 MIXING OF WATERS . 159 3.1.6 REHABILITATION OF GROUNDWATER 159 3.1.6.1 REDUCTION OF NITRATE WITH METHANOL 159 3.1.6.2 FE(0) BARRIERS 160 3.1.6.3 INCREASE IN PH THROUGH A CALCITE BARRIER 160 3.2 REACTION KINETICS 160 3.2.1 PYRITE WEATHERING 160 3.2.2 QUARTZ-FELDSPAR-DISSOLUTION 161 3.2.3 DEGRADATION OF ORGANIC MATTER WITHIN THE AQUIFER ON REDUCTION OF REDOX-SENSITIVE ELEMENTS (FE, AS, U, CU, MN, S) 162 X TABLE OF CONTENTS 3.2.4 DEGRADATION OF TRITIUM IN THE UNSATURATED ZONE... 163 3.3 REACTIVE TRANSPORT 166 3.3.1 LYSIMETER 166 3.3.2 KARST SPRING DISCHARGE 167 3.3.3 KARSTIFICATION (CORROSION ALONG A KARST FRACTURE) 168 3.3.4 THEPH INCREASE OF AN ACID MINE WATER 169 3.3.5 IN-SITU LEACHING 170 3.3.6 3D TRANSPORT - URANIUM AND ARSENIC CONTAMINATION PLUME 171 4 SOLUTIONS 173 4.1 EQUILIBRIUM REACTIONS 173 4.1.1 GROUNDWATER - LITHOSPHERE 173 4.1.1.1 STANDARD OUTPUT WELL ANALYSIS 173 4.1.1.2 EQUILIBRIUM REACTION * SOLUBILITY OF GYPSUM 175 4.1.1.3 DISEQUILIBRIUM REACTION * SOLUBILITY OF GYPSUM 175 4.1.1.4 TEMPERATURE DEPENDENCY OF GYPSUM SOLUBILITY IN WELL WATER....176 4.1.1.5 TEMPERATURE DEPENDENCY OF GYPSUM SOLUBILITY IN PURE WATER...177 4.1.1.6 TEMPERATURE- AND P(CO 2 )-DEPENDENT CALCITE SOLUBILITY 177 4.1.1.7 CALCITE PRECIPITATION AND DOLOMITE DISSOLUTION 178 4.1.1.8 COMPARISON OF THE CALCITE SOLUBILITY IN AN OPEN AND A CLOSED SYSTEM 179 4.1.1.9 PYRITE WEATHERING 179 4.1.2 ATMOSPHERE - GROUNDWATER - LITHOSPHERE 18.1 4.1.2.1 PRECIPITATION UNDER THE INFLUENCE OF SOIL CO 2 181 4.1.2.2 BUFFERING SYSTEMS IN THE SOIL 181 4.1.2.3 MINERAL PRECIPITATIONS AT HOT SULFUR SPRINGS 182 4.1.2.4 FORMATION OF STALACTITES IN KARST CAVES 183 4.1.2.5 EVAPORATION 183 4.1.3 GROUNDWATER 184 4.1.3.1 THE PE-PH DIAGRAM FOR THE SYSTEM IRON 184 4.1.3.2 THE FE PE-PH DIAGRAM CONSIDERING CARBON AND SULFUR 186 4.1.3.3 THEPH DEPENDENCY OF URANIUM SPECIES 187 4.1.4 ORIGIN OF GROUNDWATER 188 4.1.4.1 PUMPING OF FOSSIL GROUNDWATER IN ARID REGIONS 188 4.1.4.2 SALT WATER/FRESH WATER INTERFACE 189 4.1.5 ANTHROPOGENIC USE OF GROUNDWATER 190 4.1.5.1 SAMPLING: CA TITRATION WITH EDTA 190 4.1.5.2 CARBONIC ACID AGGRESSIVENESS 191 4.1.5.3 WATER TREATMENT BY AERATION - WELL WATER 191 4.1.5.4 WATER TREATMENT BY AERATION - SULFUR SPRING 191 4.1.5.5 MIXING OF WATERS 193 4.1.6 REHABILITATION OF GROUNDWATER 194 4.1.6.1 REDUCTION OF NITRATE WITH METHANOL 194 4. 1.6.2FE(0) BARRIERS 195 4.1.6.3 INCREASE IN PH THROUGH A CALCITE BARRIER 196 TABLE OF CONTENTS XI 4.2 REACTION KINETICS 197 4.2.1 PYRITE WEATHERING 197 4.2.2 QUARTZ-FELDSPAR-DISSOLUTION 199 4.2.3 DEGRADATION OF ORGANIC MATTER WITHIN THE AQUIFER ON REDUCTION OF REDOX-SENSITIVE ELEMENTS (FE, AS, U, CU, MN, S) 201 4.2.4 DEGRADATION OF TRITIUM IN THE UNSATURATED ZONE 203 4.3 REACTIVE TRANSPORT 205 4.3.1 LYSIMETER 205 4.3.2 KARST SPRING DISCHARGE 205 4.3.3 KARSTIFICATION (CORROSION ALONG A KARST FRACTURE) 207 4.3.4 THE PH INCREASE OF AN ACID MINE WATER 208 4.3.5 IN-SITU LEACHING 210 4.3.6 3D TRANSPORT - URANIUM AND ARSENIC CONTAMINATION PLUME 212 REFERENCES 215 INDEX ...- 221
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author	Merkel, Broder 1949- Planer-Friedrich, Britta 1975-
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dewey-ones	551 - Geology, hydrology, meteorology
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dewey-search	551.49
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dewey-tens	550 - Earth sciences
discipline	Geologie / Paläontologie Geographie
edition	2. ed.
format	Kit Book
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id	DE-604.BV023302433
illustrated	Illustrated
indexdate	2024-12-20T13:13:00Z
institution	BVB
isbn	9783540746676 3540746676 9783662517505
language	English
oai_aleph_id	oai:aleph.bib-bvb.de:BVB01-016486868
oclc_num	633289893
open_access_boolean
owner	DE-29 DE-703 DE-706 DE-83
owner_facet	DE-29 DE-703 DE-706 DE-83
physical	XI, 230 S. Ill., graph. Darst. 1 CD-ROM
publishDate	2008
publishDateSearch	2008
publishDateSort	2008
publisher	Springer
record_format	marc
spellingShingle	Merkel, Broder 1949- Planer-Friedrich, Britta 1975- Groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems Numerisches Modell (DE-588)4338132-7 gnd Grundwasser (DE-588)4022369-3 gnd Hydrogeochemie (DE-588)4225478-4 gnd Mathematisches Modell (DE-588)4114528-8 gnd Hydrochemie (DE-588)4072678-2 gnd
subject_GND	(DE-588)4338132-7 (DE-588)4022369-3 (DE-588)4225478-4 (DE-588)4114528-8 (DE-588)4072678-2
title	Groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems
title_auth	Groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems
title_exact_search	Groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems
title_full	Groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems Broder J. Merkel ; Britta Planer-Friedrich. Ed. by Darrell Kirk Nordstrom
title_fullStr	Groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems Broder J. Merkel ; Britta Planer-Friedrich. Ed. by Darrell Kirk Nordstrom
title_full_unstemmed	Groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems Broder J. Merkel ; Britta Planer-Friedrich. Ed. by Darrell Kirk Nordstrom
title_short	Groundwater geochemistry
title_sort	groundwater geochemistry a practical guide to modeling of natural and contaminated aquatic systems
title_sub	a practical guide to modeling of natural and contaminated aquatic systems
topic	Numerisches Modell (DE-588)4338132-7 gnd Grundwasser (DE-588)4022369-3 gnd Hydrogeochemie (DE-588)4225478-4 gnd Mathematisches Modell (DE-588)4114528-8 gnd Hydrochemie (DE-588)4072678-2 gnd
topic_facet	Numerisches Modell Grundwasser Hydrogeochemie Mathematisches Modell Hydrochemie
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016486868&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
work_keys_str_mv	AT merkelbroder groundwatergeochemistryapracticalguidetomodelingofnaturalandcontaminatedaquaticsystems AT planerfriedrichbritta groundwatergeochemistryapracticalguidetomodelingofnaturalandcontaminatedaquaticsystems

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