title: Protonation of different goethite surfaces--Unified models for NaNO3 and NaCl media.
abstract: Acid-base titration data for two goethites samples in sodium nitrate and sodium chloride media are discussed. The data are modeled based on various surface complexation models in the framework of the multi site complexation (MUSIC) model. Various assumptions with respect to the goethite morphology are considered in determining the site density of the surface functional groups. The results from the various model applications are not statistically significant in terms of goodness of fit. More importantly, various published assumptions with respect to the goethite morphology (i.e., the contributions of different crystal planes and their repercussions on the "overall" site densities of the various surface functional groups) do not significantly affect the final model parameters within simple 1-pK approximations. The simultaneous fit of the chloride and nitrate data results in electrolyte binding constants, which are applicable over a wide range of electrolyte concentrations including mixtures of chloride and nitrate. Model parameters for the goethite sample with 90 m2/g specific surface area are in excellent agreement with parameters that were independently obtained by another group on different goethite titration data sets.
authors.affiliation: Institut für Nukleare Entsorgung, Forschungszentrum Karlsruhe, Postfach 3640, 76021 Karlsruhe, Germany. johannes@ine.fzk.de
authors.forename: J
authors.initials: J
authors.lastname: Lützenkirchen
authors.forename: J F
authors.initials: JF
authors.lastname: Boily
authors.forename: L
authors.initials: L
authors.lastname: Gunneriusson
authors.forename: L
authors.initials: L
authors.lastname: Lövgren
authors.forename: S
authors.initials: S
authors.lastname: Sjöberg
mesh_terms: D006863:Hydrogen-Ion Concentration; D058085:Iron Compounds / Q000737:chemistry*; D008903:Minerals; D008956:Models, Chemical; D009566:Nitrates / Q000737:chemistry*; D011522:Protons; D012965:Sodium Chloride / Q000737:chemistry*; D013499:Surface Properties; D017186:Titrimetry
chemical_list: D058085:Iron Compounds; D008903:Minerals; D009566:Nitrates; D011522:Protons; C094886:goethite; D012965:Sodium Chloride; C031618:sodium nitrate