Chemical Networks: A Methodology to Rapidly Assess the Environmental Impact of Chemical Processes

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2022-01-01 DOI:10.1595/205651322x16594453018855

Joe Staddon, Joost Smit, Zinovia Skoufa, David Watson

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引用次数: 1

Abstract

As the chemicals industry transitions towards a net zero future, rapid assessment of the sustainability metrics of different process results will be essential to support investment decisions in innovation and deployment. Life Cycle Analysis (LCA) offers the gold standard for process assessment, but LCA can take weeks or months to complete, with incomplete databases and inflexibility in comparing different chemical pathways.In this study, we demonstrate an alternative and complementary methodology. By simplifying the metrics used to describe chemical processes, each process may be linked to another by its feedstocks and products. This generates a network of the chemical industry, which may be investigated using graph theory principles. A case study of the plastics industry is provided, using publicly available information to quantitively compare with a more formalised and detailed LCA approach.This methodology proves useful for quickly estimating the carbon intensity and water footprint of thousands of routes. Further development, such as including Scope 3 emissions and additional industrial data, may further improve the methodology.

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化学网络:一种快速评估化学过程对环境影响的方法

随着化工行业向净零排放的未来过渡，对不同工艺结果的可持续性指标的快速评估对于支持创新和部署的投资决策至关重要。生命周期分析(LCA)为过程评估提供了黄金标准，但是LCA可能需要数周或数月才能完成，而且数据库不完整，而且在比较不同的化学途径时缺乏灵活性。在这项研究中，我们展示了一种替代和补充的方法。通过简化用于描述化学过程的指标，每个过程可以通过其原料和产品与另一个过程联系起来。这就产生了一个化学工业的网络，它可以用图论原理来研究。提供了一个塑料工业的案例研究，使用公开可用的信息与更正式和详细的LCA方法进行定量比较。事实证明，这种方法对于快速估计数千条路线的碳强度和水足迹非常有用。进一步的发展，例如纳入范围3的排放和额外的工业数据，可能会进一步改进方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.