title: Mathematical modeling of precipitation and dissolution reactions in microbiological systems.
abstract: We expand the biogeochemical model CCBATCH to include a precipitation/dissolution sub-model that contains kinetic and equilibrium options. This advancement extends CCBATCH's usefulness to situations in which microbial reactions cause or are affected by formation or dissolution of a solid phase. The kinetic option employs a rate expression that explicitly includes the intrinsic kinetics for reaction or mass-transport control, the difference from thermodynamic equilibrium, and the aqueous concentration of the rate-limiting metal or ligand. The equilibrium feature can be used alone, and it also serves as check that the kinetic rate never is too fast and "overshoots" equilibrium. The features of the expanded CCBATCH are illustrated by an example in which the precipitation of Fe(OH)3(s) allows the biodegradation of citric acid, even though complexes are strong and not bioavailable. Precipitation releases citrate ligand, and biodegradation of the citrate increases the pH.
authors.affiliation: Department of Civil and Environmental Engineering, Northwestern University, 2145 N. Sheridan Road, Evanston, IL 60208-3109, USA.
authors.forename: Bruce E
authors.initials: BE
authors.lastname: Rittmann
authors.forename: James E
authors.initials: JE
authors.lastname: Banaszak
authors.forename: Jeanne M
authors.initials: JM
authors.lastname: VanBriesen
authors.forename: Donald T
authors.initials: DT
authors.lastname: Reed
mesh_terms: D000465:Algorithms; D001673:Biodegradation, Environmental; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D019343:Citric Acid / Q000378:metabolism; D003460:Crystallization; D006863:Hydrogen-Ion Concentration; D007700:Kinetics; D008954:Models, Biological; D011551:Pseudomonas fluorescens / Q000378:metabolism; D012995:Solubility; D013816:Thermodynamics
chemical_list: D019343:Citric Acid