Sorption of Iron on Surfaces: Modelling, Data Evaluation, and Measurement Uncertainty

Journal article, 2004

Assessment of the likely outcome of engineered invention strategies in acid mine drainage often involves complex geochemical modelling activities. Geochemical modelling is based on chemical thermodynamic data. In addition sorption models, kinetical reaction rates and transport tools are included into the modelling codes because the interactions between solution components and surfaces, reaction time and transport are considered important features characterising the site-specific situation. In the determination of both thermodynamic data and sorption coefficients, speciation calculations play an important role. By applying the probabilistic speciation code Ljungskile to some simplified acid mine drainage scenarios, the strong impact of chemical speciation on the complete measurement uncertainty budget of geochemical modelling predictions is shown. The complete measurement uncertainty budget in combination with other metrological concepts like traceability is an essential element of quality assurance for experimental data. The elements of quality assurance are provided by international agreements and normative documents on national and international levels. The following discussion will focus on some metrological issues of sorption data.