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Any consideration of reaction processes in multicomponent chemical systems begins with a conceptual model of the setting of interest. This chapter describes how to develop a conceptual basis for constructing a geochemical reaction model and discusses the uncertainties inherent in evaluating such a model.
Using a historical sketch, this chapter traces the development and application of numerical methods for predicting speciation in multicomponent chemical systems. Discussion begins with attempts to predict the thrust provided by rocket fuels and continues through the application of advanced algorithms today to solve problems of scientific, practical, and societal importance in geochemistry and related fields.
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.
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