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
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Page 14
... moles of a silicate mineral , for example , is commonly sufficient to saturate a fluid with respect to the mineral . In light of the small solubilities of many minerals , the extent of reaction pre- dicted by this type of calculation ...
... moles of a silicate mineral , for example , is commonly sufficient to saturate a fluid with respect to the mineral . In light of the small solubilities of many minerals , the extent of reaction pre- dicted by this type of calculation ...
Page 29
... many elements are dissolved. We generally have some information about the fluid's bulk composition, perhaps directly because we ... mole numbers of any minerals in the system, to give the system's bulk composition. In other words, the ...
... many elements are dissolved. We generally have some information about the fluid's bulk composition, perhaps directly because we ... mole numbers of any minerals in the system, to give the system's bulk composition. In other words, the ...
Page 31
... number of moles of each component go into making up a system, just as the amount of each ingredient is specified in a recipe. By combining the components, each in its specified mass, we reproduce the system's bulk composi- tion. it ...
... number of moles of each component go into making up a system, just as the amount of each ingredient is specified in a recipe. By combining the components, each in its specified mass, we reproduce the system's bulk composi- tion. it ...
Page 33
... mole number nB . The value of depends on temperature, pressure, and the mole numbers of each species in the phase. Since is defined as a partial derivative, we take its value holding constant each of these variables except nB . Knowing ...
... mole number nB . The value of depends on temperature, pressure, and the mole numbers of each species in the phase. Since is defined as a partial derivative, we take its value holding constant each of these variables except nB . Knowing ...
Page 34
... mole fraction X in the previous equation is replaced with a new unitless variable a¡ , the species ' activity . The ... number of moles of the species per kilogram of solvent , is related to its activity by ai = yimi . ( 3.6 ) The ...
... mole fraction X in the previous equation is replaced with a new unitless variable a¡ , the species ' activity . The ... number of moles of the species per kilogram of solvent , is related to its activity by ai = yimi . ( 3.6 ) The ...
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...