title: RES3T-Rossendorf expert system for surface and sorption thermodynamics.
abstract: This paper presents a digitized version of a thermodynamic sorption database, implemented as a relational database with MS Access. It is mineral-specific and can therefore be used for additive models of complex solid phases such as rocks or soils. An integrated user interface helps users to access selected mineral and sorption data, to extract internally consistent data sets for sorption modeling, and to export them in formats suitable for other modeling software. Data records comprise mineral properties, specific surface area values, surface binding sites' characteristics, sorption ligand information, and surface complexation reactions. An extensive bibliography is included, providing links not only to the above listed data, but also to background information concerning surface complexation model theories, evidence for surface species, and sorption experimental techniques.
authors.affiliation: Institute of Radiochemistry, Forschungszentrum Rossendorf eV, PO Box 51 01 19, D-01314 Dresden, Germany. brendler@fz-rossendorf.de
authors.forename: Vinzenz
authors.initials: V
authors.lastname: Brendler
authors.forename: Annett
authors.initials: A
authors.lastname: Vahle
authors.forename: Thuro
authors.initials: T
authors.lastname: Arnold
authors.forename: Gert
authors.initials: G
authors.lastname: Bernhard
authors.forename: Thomas
authors.initials: T
authors.lastname: Fanghänel
mesh_terms: D000327:Adsorption; D016208:Databases, Factual; D004785:Environmental Pollutants; D055593:Geological Phenomena; D005844:Geology; D008024:Ligands; D008962:Models, Theoretical; D011868:Radioisotopes; D018570:Risk Assessment; D013816:Thermodynamics
chemical_list: D004785:Environmental Pollutants; D008024:Ligands; D011868:Radioisotopes