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 1-5 of 83
Page 2
... components, numbers varied in magnitude over just a small range. Chemical modeling presented special problems because the concentrations of species vary over many orders of magnitude. Even species in small concentra- tions, such as HC ...
... components, numbers varied in magnitude over just a small range. Chemical modeling presented special problems because the concentrations of species vary over many orders of magnitude. Even species in small concentra- tions, such as HC ...
Page 3
... components and independent variables, as described in Chapter 3. Not surprisingly, Zeleznik and Gordon (1960, 1968) and Brinkley (1960) proved that the two methods were computationally and conceptually equivalent. The bal- anced ...
... components and independent variables, as described in Chapter 3. Not surprisingly, Zeleznik and Gordon (1960, 1968) and Brinkley (1960) proved that the two methods were computationally and conceptually equivalent. The bal- anced ...
Page 4
... components. Garrels and Thompson's calculation, computed by hand, is the basis for a class of geochemical models that predict species distributions, mineral saturation states, and gas fugacities from chemical analyses. This class of ...
... components. Garrels and Thompson's calculation, computed by hand, is the basis for a class of geochemical models that predict species distributions, mineral saturation states, and gas fugacities from chemical analyses. This class of ...
Page 5
... components. Chemical reactions now served double duty by giving the compositions of species and minerals in the sys- tem in terms of the chosen component set. This choice, which allowed models to be set up without even acknowledging the ...
... components. Chemical reactions now served double duty by giving the compositions of species and minerals in the sys- tem in terms of the chosen component set. This choice, which allowed models to be set up without even acknowledging the ...
Page 10
... compositional constraint for each chemical component in the system . Useful constraints include • The mass of solvent water ( 1 kg by default ) , The amounts of any minerals in the equilibrium system, The 10 Modeling overview.
... compositional constraint for each chemical component in the system . Useful constraints include • The mass of solvent water ( 1 kg by default ) , The amounts of any minerals in the equilibrium system, The 10 Modeling overview.
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...