Abstract
This chapter covers the basis of biogeochemical modeling and its coupling with fluid flow and hydrologic transport. The basis of biogeochemical modeling is the principle of mole balance, the law of mass action, and rate laws. The basis of reactive biogeochemical transport is the conservation principle and flux laws. We begin the chapter by introducing a simple example of geochemical equilibrium (Section 2.1). Then we derive equations governing generalized geochemical equilibrium (Section 2.2), basic and parallel geochemical kinetics (Section 2.3), and mixed chemical equilibrium and kinetics (Section 2.4) from a reaction point of view. Following the derivation of geochemical processes, we deal with reactive chemical transport (Section 2.5), and transport and fate of chemicals and microbes (Section 2.6). Finally, a variety of strategies to model multicomponent-multispecies reactive transport is presented (Section 2.7).
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