Extent-based incremental identification of reaction systems using concentration and calorimetric measurements

Extent-based Incremental Model Identification (IMI) uses the concept of extent of reaction and the integral method of parameter estimation to identify reaction kinetics from transient concentration measurements. This study proposes to incorporate calorimetric measurements into the extent-based IMI approach. Calorimetric measurements are added to concentrationmeasurements for two main purposes: (i) to be able to estimate the reaction enthalpies when all the concentrations are measured, and (ii) to be able to compute the extents of reaction in certain cases when only a subset of the concentrations are measured. The two approaches are demonstrated via the simulation of a semi-batch reactor.