Transport of reacting solutes in porous media: Relation between mathematical nature of problem formulation and chemical nature of reactions

Source abstract

Examples involving six broad reaction classes show that the nature of transport‐affecting chemistry may have a profound effect on the mathematical character of solute transport problem formulation. Substantive mathematical diversity among such formulations is brought about principally by reaction properties that determine whether (1) the reaction can be regarded as being controlled by local chemical equilibria or whether it must be considered as being controlled by kinetics, (2) the reaction is homogeneous or heterogeneous, (3) the reaction is a surface reaction (adsorption, ion exchange) or one of the reactions of classical chemistry (e.g., precipitation, dissolution, oxidation, reduction, complex formation). These properties, as well as the choice of means to describe them, stipulate, for instance, (1) the type of chemical entities for which a formulation's basic, mass‐balance equations should be written; (2) the nature of mathematical transformations needed to change the problem's basic equations into operational ones. These and other influences determine such mathematical features of problem formulations as the nature of the operational transport‐equation system (e.g., whether it involves algebraic, partial‐differential, or integro‐partial‐differential simultaneous equations), the type of nonlinearities of such a system, and the character of the boundaries (e.g., whether they are stationary or moving). Exploration of the reasons for the dependence of transport mathematics on transport chemistry suggests that many results of this dependence stem from the basic properties of the reactions' chemical‐relation (i.e., equilibrium or rate) equations.