Development of a Mineral-Specific Sorption Database for Surface Complexation Modeling (Final Report and Manual)

RES³T - the Rossendorf Expert System for Surface and Sorption Thermodynamics - is a digitized thermodynamic sorption database, implemented as a relational database. It is mineral-specific and can therefore also be used for additive models of more 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 into formats suitable for other modeling software. Data records comprise of mineral properties, specific surface area values, characteristics of surface binding sites and their protolysis, sorption ligand information, and surface complexation reactions. An extensive bibliography is also included, providing links not only to the above listed data items, but also to background information concerning surface complexation model theories, surface species evidence, and sorption experiment techniques.
The RES³T database is intended for an international use. This requires high standards in availability, consistency and actuality. Therefore the authors of the database decided to couple the database onto an authorization tool.