Estimating Kinetic Parameters from a Batch Reactor Experiment
Prepared by H. Binous, A. Bellagi, and B. G. Higgins

Consider an irreversible homogeneous liquid-phase reaction  taking place in a batch reactor. Assume that the experimental data (i.e. the concentration of species  versus time data indicated by the blue dots in the figure) comes from, for example, the on-line measurement of electrical conductivity of the mixture in the reactor. The governing equation of the batch reactor is given by  with .

This Demonstration uses the experimentally obtained data in order to estimate the theoretical reaction order  and rate constant  (shown in the figure in red and blue, respectively). You can vary the theoretical values of  and  using the sliders. You can also vary the experimental data in order to mimic different experimental results obtained by various set-ups using the "seed" and "noise amplitude" sliders.

Download the CDF file to view the simulation using the free Wolfram CDF player.