Geochemical reaction modeling plays an increasingly vital role in several areas of geoscience, from environmental geochemistry and petroleum geology to the study of geothermal and hydrothermal fluids. This book provides an up-to-date overview of the use of numerical methods to model reaction processes in the Earth's crust and on its surface. Early chapters develop the theoretical foundations of the field, derive a set of governing equations, and show how numerical methods can be used to solve these equations. Other chapters discuss the distribution of species in natural waters; methods for computing activity coefficients in dilute solutions and in brines; the complexation of ions into mineral surfaces; the kinetics of precipitation and dissolution reactions; and the fractionation of stable isotopes. Later chapters provide a large number of fully worked calculation examples and case studies demonstrating the modeling techniques that can be applied to scientific and practical problems. Students in a variety of specialties from low-temperature geochemistry to groundwater hydrology will benefit from the wealth of information and practical applications this book has to offer.
1. Introduction 2. Modeling Overview Part 1--Equilibrium in Natural Waters 3. The Equilibrium State 4. Changing the Basis 5. Solving for the Equilibrium State 6. Equilibrium Models of Natural Waters 7. Activity Coefficients 8. Surface Complexation 9. Automatic Reaction Balancing 10. Uniqueness Part 2--Reaction Processes 11. Mass Transfer 12. Polythermal, Fixed, and Sliding Paths 13. Geochemical Buffers 14. Geochemical Kinetics 15. Stable Isotopes Part 3--Applied Reaction Modeling 16. Hydrothermal Fluids 17. Geothermometry 18. Evaporation 19. Sediment Diagenesis 20. Kinetic Reaction Paths 21. Waste Injection Wells 22. Petroleum Reservoirs 23. Acid Drainage Appendix 1l“ž