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. |
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Page ix
... fixed, and sliding paths 201 14.1 Polythermal reaction paths 201 14.2 Fixed activity and fugacity paths 203 14.3 Sliding activity and fugacity paths 207 15 Geochemical buffers 217 15.1 Buffers in solution 218 15.2 Minerals as buffers ...
... fixed, and sliding paths 201 14.1 Polythermal reaction paths 201 14.2 Fixed activity and fugacity paths 203 14.3 Sliding activity and fugacity paths 207 15 Geochemical buffers 217 15.1 Buffers in solution 218 15.2 Minerals as buffers ...
Page 7
... fixed, but mass can enter and leave an open system. A system has an extent, which the modeler defines when he sets the amounts of fluid and mineral considered in the calculation. A system's extent might be a droplet of rainfall, the ...
... fixed, but mass can enter and leave an open system. A system has an extent, which the modeler defines when he sets the amounts of fluid and mineral considered in the calculation. A system's extent might be a droplet of rainfall, the ...
Page 14
... require that the rock react repeatedly as its pore fluid is replaced . Local equilibrium models of this nature are described later in this section . 2.2.3 Fixed - fugacity and sliding - fugacity models Many. 14 Modeling overview.
... require that the rock react repeatedly as its pore fluid is replaced . Local equilibrium models of this nature are described later in this section . 2.2.3 Fixed - fugacity and sliding - fugacity models Many. 14 Modeling overview.
Page 15
... fixed - fugacity paths ( Section 14.2 ) . Be- cause Garrels and Mackenzie ( 1967 ) assumed a fixed CO2 fugacity when they cal- culated their pioneering reaction path by hand ( see Chapter 2 ) , they also calculated a fixed - fugacity ...
... fixed - fugacity paths ( Section 14.2 ) . Be- cause Garrels and Mackenzie ( 1967 ) assumed a fixed CO2 fugacity when they cal- culated their pioneering reaction path by hand ( see Chapter 2 ) , they also calculated a fixed - fugacity ...
Page 24
... fixed composition. A special danger arises in considering the chemistry of trace metals. In nature, these would be likely to occur as ions substituted into the framework of common minerals or sorbed onto mineral or organic surfaces, but ...
... fixed composition. A special danger arises in considering the chemistry of trace metals. In nature, these would be likely to occur as ions substituted into the framework of common minerals or sorbed onto mineral or organic surfaces, but ...
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...