Model-Based Analysis for Kinetic and Equilibrium Investigations

Abstract

Equilibrium and kinetic data usually can be described quantitatively by a chemical model that is based on the law of mass action. In such instances parameters of interest like rate and equilibrium constants and, depending on the nature of the data, also spectral information can be determined by model-based analysis of the appropriate data sets. In this contribution the essential aspects of the complete process are discussed, these include data acquisition, modelling of the concentration profiles and the actual fitting algorithms which are identical for both types of investigation. An overview of recent developments like globalisation of the analysis and attempts to analyse industrially relevant data incorporating corrections for non-ideal behaviour are also given.