Design of sustainable reactor based on key performance indicators

The design of chemical reactors has been largely considered primarily related to techno-economic evaluations. However, the recent need for sustainable solutions and processes has promoted the inclusion of environmental and safety parameters to identify the most suitable solution. In this sense, an innovative procedure has been developed in this work to identify and design a reactive section in chemical processes. To this aim, different key performance indicators have been defined and quantified for each domain considered within the analysis, namely technological, economic, environmental, and safety domains. In addition, the safety aspects have been quantified by integrating Semenov's theory and Varma, Morbidelli and Wu's theory. The validity and potentiality of the proposed procedure have been tested and shown by applying it to a case study representative for the scale-up of pharmaceutical processes: the industrial synthesis of a Vitamin A intermediate. A preliminary design has been performed for different configurations based on apparent kinetics determined from experimental data and ab initio coefficients available in the current literature. Among the analysed solutions, a single reactor with a volume of 15.90 m3 has been indicated as the most suitable for the process requirements regarding overall sustainability. Hence, the developed procedure can be intended as a powerful tool for screening among available configurations, enabling a more informed decision by simplifying and optimising the scale-up and the detailed design.