Geochemical and Biogeochemical Reaction ModelingThis book provides a comprehensive overview of reaction processes in the Earth's crust and on its surface, both in the laboratory and in the field. A clear exposition of the underlying equations and calculation techniques is balanced by a large number of fully worked examples. The book uses The Geochemist's Workbench® modeling software, developed by the author and already installed at over 1000 universities and research facilities worldwide. Since publication of the first edition, the field of reaction modeling has continued to grow and find increasingly broad application. In particular, the description of microbial activity, surface chemistry, and redox chemistry within reaction models has become broader and more rigorous. These areas are covered in detail in this new edition, which was originally published in 2007. This text is written for graduate students and academic researchers in the fields of geochemistry, environmental engineering, contaminant hydrology, geomicrobiology, and numerical modeling. |
Contents
7 | |
The equilibrium state | 29 |
Solving for the equilibrium state | 53 |
Changing the basis | 71 |
6 | 73 |
7 | 101 |
8 | 111 |
Sorption and ion exchange | 137 |
Reactive transport | 301 |
Hydrothermal fluids | 319 |
Geothermometry | 341 |
Evaporation | 357 |
Sediment diagenesis | 373 |
Kinetics of waterrock interaction | 387 |
Weathering | 405 |
Oxidation and reduction | 415 |
10 | 155 |
11 | 166 |
12 | 181 |
Mass transfer | 193 |
Polythermal fixed and sliding paths | 201 |
Geochemical buffers | 217 |
Kinetics of dissolution and precipitation | 231 |
Redox kinetics | 245 |
Microbial kinetics | 257 |
Stable isotopes | 269 |
Transport in flowing groundwater | 285 |
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Common terms and phrases
acid activity coefficients albite anhydrite aqueous species aquifer assume basis species Bethke brine buffer Ca++ CaCC CaCO3 calcite calculation results carbonate CaSO4 CH3COO Chapter chemical CO2 fugacity component composition concentration cont’d contains Cosmochimica Acta cristobalite dispersion dissolution dissolved dolomite electron equilibrium constant example Fe++ ferric fluid fluorite formation free cm3 fugacity geochemical modeling geochemistry Geochimica et Cosmochimica governing equations groundwater groundwater flow HCO3 hematite hydrothermal initial ionic strength isotopic iteration kaolinite kinetic methanogens mg/kg Mg++ microbial minerals molal mole numbers muscovite NaCl oxidation oxygen precipitate predicted procedure produce pyrite quartz rate constant rate law rate_con react reactant reaction modeling reaction path reactive transport redox reactions saturation seawater sediment silica simulation SiO2 SiO2(aq solution sorbing sorption step sulfate sulfide supersaturated surface complexation swap temperature thermodynamic tridymite umolal undersaturated