通过催化网络分析揭示三氯乙烯和四氯乙烯生产中多种化学产品与工艺条件之间的关系

IF 5.4 3区材料科学 Q2 CHEMISTRY, PHYSICAL

ACS Applied Energy Materials Pub Date : 2024-08-27 DOI:10.1039/d4cy00573b

Lauren Takahashi , Taku Yamada , Hidekazu Okamoto , Keisuke Takahashi

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引用次数: 0

摘要

三氯乙烯（TRI）和全氯乙烯（PER）在化学工业中广泛生产，用作溶剂、清漆、脱脂剂和干洗化学品，涉及复杂的工艺条件。数据科学和网络分析被用来揭示反应物、工艺条件和特定产品选择性之间的关系，从而提高生产效率。数据可视化和机器学习揭示了与 TRI 和 PER 选择性呈正反关系的条件集，而将数据转化为网络则揭示了哪些实验条件集与预期结果相关。因此，有可能对实验条件进行调整，以提高理想的选择性，同时避免产生不理想的选择性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Unveiling the relation between multiple chemical products and process conditions for trichloroethylene and perchloroethylene production via catalysis network analysis†

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Unveiling the relation between multiple chemical products and process conditions for trichloroethylene and perchloroethylene production via catalysis network analysis†

Trichloroethylene (TRI) and perchloroethylene (PER) are widely-produced in the chemical industry and used as solvents, varnishes, degreasers, and dry cleaning chemicals that involve complex process conditions. Data science and network analysis are used in order to unveil relationships between reactants, process conditions, and selectivities of select products with the aim to improve production efficiency. Data visualization and machine learning reveal the sets of conditions that have positive and inverse relations with TRI and PER selectivities, while transforming the data into networks reveals which sets of experimental conditions correlate with desired outcomes. Thus, it becomes possible to tailor experimental conditions in order to increase desired selectivities while avoiding production of undesirable selectivities.

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来源期刊

ACS Applied Energy Materials Materials Science-Materials Chemistry

CiteScore

10.30

自引率

6.20%

发文量

1368

期刊介绍： ACS Applied Energy Materials is an interdisciplinary journal publishing original research covering all aspects of materials, engineering, chemistry, physics and biology relevant to energy conversion and storage. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials, engineering, physics, bioscience, and chemistry into important energy applications.