Process Systems Engineering Perspective on the Design of Materials and Molecules
Process Systems Engineering Perspective on the Design of Materials and Molecules
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DOI：
10.1021/acs.iecr.0c05399
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发表时间：
2021-03
影响因子：
4.2
通讯作者：
C. Adjiman;N. Sahinidis;D. Vlachos;B. Bakshi;C. Maravelias;C. Georgakis
中科院分区：
文献类型：
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作者：
C. Adjiman;N. Sahinidis;D. Vlachos;B. Bakshi;C. Maravelias;C. Georgakis
本文旨在概述分子和材料设计的现状以及对开放性问题的看法。首先，我们讨论了过程设计与分子和材料设计之间的相互作用，然后提出了在这个综合设计问题中需要考虑的基本权衡和相互依赖关系。其次，我们介绍了加工材料领域的方法和悬而未决的问题，特别强调了多相催化剂，因为它们在化学工业中的重要性。最后，我们讨论了光伏电池材料作为一个化学产品的例子，它可能有助于提供可持续能源和解决气候变化问题。这里所呈现的内容是基于2018年6月FIPSE-4会议期间的演讲和讨论（https://www.fi-in-pse.org/fipse-4-2018）。
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).