Abstract

Rapid estimation of kinetic parameters with high precision is facilitated by automation combined with online Model-Based Design of Experiments.

Highlights

  • A reliable reaction kinetic model provides many advantages for a chemical process

  • The results of the χ2 test are shown in Table 1, where it is observed that model 13b, which had 2nd order kinetics with respect to benzoic acid, must be rejected

  • As only a single candidate model remained after the initial factorial screening, it was not necessary to conduct further experiments designed by Model-Based Design of Experiments (MBDoE) algorithms for model discrimination.[53]

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Summary

Introduction

A reliable reaction kinetic model provides many advantages for a chemical process. Most notably it allows for improved design of the reactor and the process control system, as well as enabling process optimisation, potentially making a process greener, safer and more profitable. Kinetics are obtained in batch, which while having the advantage of providing multiple data points per experiment, may be limited by heat and mass transfer. The development of flow microreactors with superior rates of heat and mass transport and improved safety[3,4,5,6,7] enable isothermal kinetic studies.[5,8,9,10] Flow reactors are often combined with online analysis to provide data-rich experimental platforms. Many flow reactors are being programmed to perform experiments automatically, while collecting experimental data without user supervision

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