Process Systems Engineering Perspective on the Design of Materials and Molecules
Claire S. Adjiman, Nikolaos V. Sahinidis, Dionisios G. Vlachos, Bhavik R. Bakshi, Christos T. Maravelias, Christos Georgakis
Abstract
This paper aims to provide an overview of the current state of the art in molecule and material design and a perspective on open questions. First, we discuss the interplay between process design and the design of molecules and materials and then present the basic trade-offs and interdependencies that need to be considered in this integrated design problem. Second, we introduce methods and open questions in the area of processing materials, with special emphasis placed on heterogeneous catalysts due to their importance in the chemical industry. Finally, we discuss materials for photovoltaic cells as one example of a chemical product that is likely to help supply sustainable energy and address climate change concerns. What is presented here is based on presentations and discussions during the FIPSE-4 meeting in June 2018 (https://www.fi-in-pse.org/fipse-4-2018).