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. |
From inside the book
Results 6-10 of 59
Page 25
Craig M. Bethke. For these reasons , the thermodynamic data on which a model is based vary considerably in quality . At the minimum , data error limits the resolution of a geochemical model . The energetic differences among groups of ...
Craig M. Bethke. For these reasons , the thermodynamic data on which a model is based vary considerably in quality . At the minimum , data error limits the resolution of a geochemical model . The energetic differences among groups of ...
Page 26
... thermodynamic data . The “ failed ” calculation , in this case , is more useful than a successful one because it points out a basic error in the modeler's understanding . Errors in conceptualizing a problem are easy to make but can be ...
... thermodynamic data . The “ failed ” calculation , in this case , is more useful than a successful one because it points out a basic error in the modeler's understanding . Errors in conceptualizing a problem are easy to make but can be ...
Page 30
... thermodynamic components and independent variables, and how effectively the number of independent variables has been reduced. In this chapter we develop a description of the equilibrium state of a geochem- ical system in terms of the ...
... thermodynamic components and independent variables, and how effectively the number of independent variables has been reduced. In this chapter we develop a description of the equilibrium state of a geochem- ical system in terms of the ...
Page 31
... for example, CaHCOC3 is distributed among a number of species: HCO3 , CO2 (aq), CO3 , , NaCO3 , etc. Hence, the number of moles of component HCO3 in the B + C only Free energy , G D + 3.1 Thermodynamic description of equilibrium 31.
... for example, CaHCOC3 is distributed among a number of species: HCO3 , CO2 (aq), CO3 , , NaCO3 , etc. Hence, the number of moles of component HCO3 in the B + C only Free energy , G D + 3.1 Thermodynamic description of equilibrium 31.
Page 33
... give complete discussions), although the form of the ideal solution equation (Eqn. 3.4) is retained. 3.1.3.1 Aqueous species The chemical potential of an aqueous species. 3.1 Thermodynamic description of equilibrium 33.
... give complete discussions), although the form of the ideal solution equation (Eqn. 3.4) is retained. 3.1.3.1 Aqueous species The chemical potential of an aqueous species. 3.1 Thermodynamic description of equilibrium 33.
Contents
7 | |
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 |
Waste injection wells | 427 |
Petroleum reservoirs | 435 |
Acid drainage | 449 |
Contamination and remediation | 461 |
Microbial communities | 471 |
Sources of modeling software | 485 |
Evaluating the HMW activity model | 491 |
Minerals in the LLNL database | 499 |
Nonlinear rate laws | 507 |
Index | 536 |
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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
Popular passages
Page 379 - ... present day because erosion has reduced the elevation of the basin's western margin. Paleohydrologic models calculated for the basin (Lee and Bethke, 1994) suggest that in the Eocene groundwater flowed eastward through the Lyons at an estimated discharge of about 1 m/yr. Flow in the Pennsylvania!! Fountain formation, a sandstone aquifer that underlies the Lyons and is separated from it by an aquitard complex, was more restricted because the formation grades into less permeable dolomites and evaporites...