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论文类型：期刊论文

发表时间：2022-06-28

发表刊物：Huagong Jinzhan/Chemical Industry and Engineering Progress

所属单位：化工学院

卷号：40

期号：4

页面范围：1746-1754

ISSN号：1000-6613

摘要：Chemical industries are continuously transferred to the manufacture of necessary commodity chemicals and high value-added chemical-based products. The development of these chemical products needs not only corresponding design/screen methods but also their sustainable manufacturing processes, their marketing, and environmental impacts. Therefore, the development of chemical products is a systematic and multi-scale product. In this paper, model-based chemical product design methods are reviewed. With model-based chemical product design methods, it is possible to carry out a virtual screen of a large number of product candidates in a short time, which could significantly reduce the experimental costs. However, for different product types, it is still hard to obtain accurate models, data, design rules, and methods, therefore, the wide application of model-based design methods is restricted. Additionally, the multi-scale and multi-disciplinary nature of chemical product design makes it complex. Hence, to find innovative chemical products, systematic computer-aided methods, and tools, which could manage the complexity becomes one of the research topics in recent years. In this paper, various model-based design methods and tools are reviewed, including experiment-based, knowledge-based, rule-based, and model-based approaches. The perspectives, including challenges and opportunities, are discussed. © 2021, Chemical Industry Press Co., Ltd. All right reserved.

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