Process Systems Engineering Perspective on the Design of Materials and Molecules

Claire S. Adjiman, Nikolaos V. Sahinidis, Dionisios G. Vlachos, Bhavik Bakshi, Christos T. Maravelias, Christos Georgakis

Research output: Contribution to journalArticlepeer-review

22 Scopus citations


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 (

Original languageEnglish (US)
Pages (from-to)5194-5206
Number of pages13
JournalIndustrial and Engineering Chemistry Research
Issue number14
StatePublished - Apr 14 2021
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering
  • Industrial and Manufacturing Engineering


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