First-order kinetics-controlled multiple species reactive transport of dissolved organic compounds in groundwater: Development and application of a numerical model

摘要

Reactive chemical transport models developed over the past decade have generally relied on the assumption that local thermodynamic equilibrium is achieved at all times between aqueous species in a given system. Consequently, homogeneous aqueous systems characterized by a number of kinetically slow reactions, particularly problems involving organic species, cannot be satisfactorily modeled. In this study, we present a prototype computer model, KINETRAN, which is designed to handle kinetically-controlled homogeneous reactions in the aqueous phase, along with the transport of the various species involved, through geologic media. 31 refs., 53 figs., 10 tabs.