title: Development and evaluation of a new sorption model for organic cations in soil: contributions from organic matter and clay minerals.
abstract: This study evaluates a newly proposed cation-exchange model that defines the sorption of organic cations to soil as a summed contribution of sorption to organic matter (OM) and sorption to phyllosilicate clay minerals. Sorption to OM is normalized to the fraction organic carbon (fOC), and sorption to clay is normalized to the estimated cation-exchange capacity attributed to clay minerals (CECCLAY). Sorption affinity is specified to a fixed medium composition, with correction factors for other electrolyte concentrations. The model applies measured sorption coefficients to one reference OM material and one clay mineral. If measured values are absent, then empirical relationships are available on the basis of molecular volume and amine type in combination with corrective increments for specific polar moieties. The model is tested using new sorption data generated at pH 6 for two Eurosoils, one enriched in clay and the other, OM, using 29 strong bases (pKa > 8). Using experimental data on reference materials for all tested compounds, model predictions for the two soils differed on average by only -0.1 ± 0.4 log units from measured sorption affinities. Within the chemical applicability domain, the model can also be applied successfully to various reported soil sorption data for organic cations. Particularly for clayish soils, the model shows that sorption of organic cations to clay minerals accounts for more than 90% of the overall affinity.
authors.affiliation: Department of Analytical Environmental Chemistry, Helmholtz Centre for Environmental Research-UFZ , Permoserstrasse 15, 04318 Leipzig, Germany.
authors.forename: Steven T J
authors.initials: ST
authors.lastname: Droge
authors.forename: Kai-Uwe
authors.initials: KU
authors.lastname: Goss
mesh_terms: D000327:Adsorption; D000538:Aluminum Silicates / Q000737:chemistry*; D002412:Cations / Q000737:chemistry*; D000077215:Clay; D008903:Minerals / Q000737:chemistry*; D008956:Models, Chemical; D009930:Organic Chemicals / Q000737:chemistry*; D011522:Protons; D012987:Soil / Q000737:chemistry*
chemical_list: D000538:Aluminum Silicates; D002412:Cations; D008903:Minerals; D009930:Organic Chemicals; D011522:Protons; D012987:Soil; D000077215:Clay