Geochemical and Biogeochemical Reaction Modeling

An indispensable primer and reference textbook, the third edition of Geochemical and Biogeochemical Reaction Modeling carries the reader from the field's origins and theoretical underpinnings through to a collection of fully worked examples. A clear exposition of the underlying equations and calculation techniques is balanced by real-world example calculations. The book depicts geochemical reaction modeling as a vibrant field of study applicable to a wide spectrum of issues of scientific, practical, and societal concern. The new edition offers a thorough description of surface complexation modeling, including two- and three-layer methods; broader treatment of kinetic rate laws; the effect of stagnant zones on transport; and techniques for determining gas partial pressures. This handbook demystifies and makes broadly accessible an elegant technique for portraying chemical processes in the geosphere. It will again prove to be invaluable for geochemists, environmental scientists and engineers, aqueous and surface chemists, microbiologists, university teachers, and government regulators.

Table of Contents:
Preface; Preface to first edition; Preface to second edition; A note about software; 1. Introduction; 2. Modeling overview; Part I. Equilibrium in Natural Waters: 3. The equilibrium state; 4. Solving for the equilibrium state; 5. Changing the basis; 6. Equilibrium models of natural waters; 7. Redox disequilibrium; 8. Activity coefficients; 9. Sorption and ion exchange; 10. Surface complexation; 11. Three-layer complexation; 12. Automatic reaction balancing; 13. Uniqueness; Part II. Reaction Processes: 14. Mass transfer; 15. Polythermal, fixed, and sliding paths; 16. Geochemical buffers; 17. Kinetics of dissolution and precipitation; 18. Redox kinetics; 19. Microbial kinetics; 20. Association and dissociation kinetics; 21. Kinetics of gas transfer; 22. Stable isotopes; 23. Transport in flowing groundwater; 24. Reactive transport; 25. Stagnant zones; Part III. Applied Reaction Modeling: 26. Hydrothermal fluids; 27. Geothermometry; 28. Evaporation; 29. Sediment diagenesis; 30. Kinetics of water-rock interaction; 31. Weathering; 32. Oxidation and reduction; 33. Waste injection wells; 34. Petroleum reservoirs; 35. Acid drainage; 36. Contamination and remediation; 37. Microbial communities; Appendices; References; Index.

About the Author :
Craig M. Bethke is the R. E. Grim Professor emeritus at the University of Illinois and principal author of The Geochemist's Workbench® software. He is recipient of the M. King Hubbert, O. E. Meinzer, and Waldemar Lindgren awards. Drawing on a four-decade career in industry, academia, consulting, and entrepreneurship, he is an authority on multicomponent chemical modeling.

Review :
'Geochemical and Biogeochemical Reaction Modeling has long been required reading for any scientist working with reaction path, kinetic, or reactive transport models of geological and environmental systems. The third edition further establishes this book as an essential resource. It now guides the reader through the SIT activity model, provides a rigorous and detailed treatment of advanced surface complexation models, addresses aspects of dissolved gasses that have long been ignored by modelers for simplicity, and expands on a range of kinetic, gas-fluid exchange, and reactive transport topics.' Jeffrey G. Catalano, Washington University, St. Louis 'This book is my go-to guide for geochemical modeling projects and one of the most effective textbooks I use in my classes. It provides clear descriptions of complex calculations and helpful examples of modeling applications. The added surface chemistry and kinetics content of the new edition will only make it more valuable to us.' Matthew Kirk, Kansas State University 'The 3rd Edition of Craig M. Bethke's Geochemical and Biogeochemical Reaction Modeling maintains much of the structure and coverage of the widely used 2nd Edition, while avoiding the trap of endlessly expanding the latest book. Bethke accomplishes this by focusing the new material in areas of greatest interest to modelers, especially advances in the theory of activity coefficients and in the approaches to modeling of aqueous and surface complexes, and the transfer of gas species between aqueous and gaseous phases. In preparing the 3rd Edition, Dr. Bethke deftly manages three tasks: a) to provide textbook level coverage of the essential thermodynamics and kinetics of gas-water-solid interactions; b) to write a treatise on the nature and scope of reaction modelling; and c) to provide an organized compendium of examples of applied reaction modeling that is tied to the suite of modeling tools, The Geochemist's Workbench software. In doing so, Craig Bethke has managed to show us how a geochemist of the first order finds, refines, and goes about solving real-world problems.' Mark J. Logsdon, Geochimica, Inc. 'Craig impressively manages the balancing act of writing a book for beginners in (bio) geochemical modeling as well as for experts. All relevant aspects of geochemical modeling are clearly explained including numerous examples, and the associated theories, both concisely and accurately. A must-have for anyone who wants to get started with reactive transport modeling.' Frank Bok, Helmholtz-Zentrum Dresden-Rossendorf