Geochemical and Biogeochemical Reaction Modeling
This 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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The equilibrium state
Solving for the equilibrium state
Changing the basis
Equilibrium models of natural waters
Sorption and ion exchange
Kinetics of waterrock interaction
Oxidation and reduction
Automatic reaction balancing
Polythermal ﬁxed and sliding paths
Kinetics of dissolution and precipitation
Transport in ﬂowing groundwater
Waste injection wells
Contamination and remediation
Sources of modeling software
Evaluating the HMW activity model
Minerals in the LLNL database
Nonlinear rate laws
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ˇ ˇ acid activity coefﬁcients albite anhydrite aqueous species aquifer assume basis species Bethke brine buffer Ca++ CaCC CaCO3 calcite calculation results carbonate CH3COO Chapter chemical CO2 fugacity component composition concentration cont’d contains Cosmochimica Acta cristobalite deﬁne dispersion dissolved dolomite electron equilibrium constant example ferric ﬁeld ﬁnd ﬁrst ﬁxed ﬂuid ﬂuid’s formation free cm3 fugacity gaylussite geochemical modeling geochemistry Geochimica groundwater groundwater ﬂow HCO3 hematite hydrothermal initial ionic strength isotopic iteration kaolinite kinetic logK methanogens mg/kg MgCC microbial minerals molal mole numbers Muscovite NaCl oxidation oxygen precipitate predicted pyrite quartz rate constant rate law rate_con react reactant reaction modeling reaction path redox reactions reﬂecting saturation seawater sediment silica simulation SiO2 SiO2(aq solution sorbed sorption speciﬁc step sulfate sulﬁde supersaturated surface complexation swap temperature thermodynamic tridymite umolal
Page 509 - Warren, 1994, Oxygen isotopic indications of the mechanisms of silica transport and quartz cementation in deeply buried sandstones. Geology 22, 847-850.
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...