Process modelling and life cycle assessment coupled with experimental work to shape the future sustainable production of chemicals and fuels,Reaction Chemistry & Engineering

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Process modelling and life cycle assessment coupled with experimental work to shape the future sustainable production of chemicals and fuels
Reaction Chemistry & Engineering ( IF 3.4 ) Pub Date : 2021-2-4 , DOI: 10.1039/d0re00451k
Iasonas Ioannou ₁ , Sebastiano Carlo D'Angelo ₁ , Ángel Galán-Martín ₁ , Carlos Pozo ₂ , Javier Pérez-Ramírez ₁ , Gonzalo Guillén-Gosálbez ₁

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Meeting the sustainable development goals and carbon neutrality targets requires transitioning to cleaner products, which poses significant challenges to the future chemical industry. Identifying alternative pathways to cover the growing demand for chemicals and fuels in a more sustainable manner calls for close collaborative programs between experimental and computational groups as well as new tools to support these joint endeavours. In this broad context, we here review the role of process systems engineering tools in assessing and optimising alternative chemical production patterns based on renewable resources, including renewable carbon and energy. The focus is on the use of process modelling and optimisation combined with life cycle assessment methodologies and network analysis to underpin experiments and generate insight into how the chemical industry could optimally deliver chemicals and fuels with a lower environmental footprint. We identify the main gaps in the literature and provide directions for future work, highlighting the role of PSE concepts and tools in guiding the future transition and complementing experimental studies more effectively.

中文翻译：

过程建模和生命周期评估与实验工作相结合，塑造化学品和燃料的未来可持续生产

实现可持续发展目标和碳中和目标需要转向更清洁的产品，这对未来的化学工业提出了重大挑战。以更可持续的方式确定替代途径来满足对化学品和燃料不断增长的需求，需要实验组和计算组之间的密切合作项目以及支持这些联合努力的新工具。在这个广泛的背景下，我们在这里回顾了过程系统工程工具在评估和优化基于可再生资源（包括可再生碳和能源）的替代化学品生产模式中的作用。重点是使用过程建模和优化，结合生命周期评估方法和网络分析来支持实验，并深入了解化学工业如何以较低的环境足迹以最佳方式提供化学品和燃料。我们确定了文献中的主要差距，并为未来的工作提供了方向，强调了 PSE 概念和工具在指导未来过渡和更有效地补充实验研究方面的作用。

更新日期：2021-03-09

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