TY - JOUR
T1 - Process Systems Engineering Perspective on the Design of Materials and Molecules
AU - Adjiman, Claire S.
AU - Sahinidis, Nikolaos V.
AU - Vlachos, Dionisios G.
AU - Bakshi, Bhavik
AU - Maravelias, Christos T.
AU - Georgakis, Christos
N1 - Funding Information:
C.S.A. is grateful to the UK Engineering and Physical Sciences Research Council for financial support through grants EP/J003840/1 and EP/T005556/1. N.V.S. would like to thank Dr. Nick Austin and Sahir Chichkar for useful discussions. C.T.M. would like to thank Arthur Pastore. C.T.M. is grateful to the William F. Vilas Trust at the University of Wisconsin–Madison for financial support. D.G.V. was supported from the Department of Energy’s Office of Energy Efficient and Renewable Energy’s Advanced Manufacturing Office under award numbers DE-EE0007888-9.5, DE-EE0007888-8.3, and DE-EE0007888-7.6. The Delaware Energy Institute gratefully acknowledges the support and partnership of the State of Delaware toward the RAPID projects.
Funding Information:
C.S.A. is grateful to the UK Engineering and Physical Sciences Research Council for financial support through grants EP/J003840/1 and EP/T005556/1. N.V.S. would like to thank Dr. Nick Austin and Sahir Chichkar for useful discussions. C.T.M. would like to thank Arthur Pastore. C.T.M. is grateful to the William F. Vilas Trust at the University of Wisconsin-Madison for financial support. D.G.V. was supported from the Department of Energy's Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under award numbers DE-EE0007888-9.5, DE-EE0007888-8.3, and DE-EE0007888-7.6. The Delaware Energy Institute gratefully acknowledges the support and partnership of the State of Delaware toward the RAPID projects.
Publisher Copyright:
© 2021 American Chemical Society.
PY - 2021/4/14
Y1 - 2021/4/14
N2 - 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).
AB - 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).
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U2 - 10.1021/acs.iecr.0c05399
DO - 10.1021/acs.iecr.0c05399
M3 - Article
AN - SCOPUS:85105036129
SN - 0888-5885
VL - 60
SP - 5194
EP - 5206
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 14
ER -