Data Reconciliation in Open Reaction Systems using the Concept of Extents

Kinetic models of chemical reaction systems are typically represented in terms of state variables, such as concentrations, temperature and partial pressures [1]. These state variables in turn depend on the underlying reactions, transfer phenomena, and transport due to the inlet and outlet flows. Kinetic models are derived from first principles – material and energy balances – and are expressed as a set of differential and algebraic equations (DAE), with the differential equations describing the evolution over time and the algebraic equations describing relationships that have to be satisfied at each time instant [2]. The identification of kinetic models along with the estimation of their parameters is carried out using measurements obtained from experiments performed under well-chosen and often ideal experimental conditions [3]. Kinetic models can then be adapted to non-ideal process operations using realtime measurements for the purpose of monitoring, control and optimization [4-5].