Analysis of kinetic parameters from batch and integral reaction experiments

The estimation of chemical reaction rate constants from experimental batch or integral reactor data is examined. Consideration is given to the effect on the accuracy of the parameter estimates of the number of concentrations measured, extending the range of measurements to higher conversions, and experimental errors. The study is based on estimates of two rate constants obtained by quasilinearization in the pyrolytic dehydrogenation of benzene. It is found that if fewer than the number of independent components are to be measured, certain components produce better parameter estimates than others. The level of experimental errors is by far the most significant factor in obtaining reliable parameter estimates.