Kontogeorgis Georgios M, Dohrn Ralf, Economou Ioannis G, de Hemptinne Jean-Charles, Ten Kate Antoon, Kuitunen Susanna, Mooijer Miranda, Žilnik Ljudmila Fele, Vesovic Velisa
Center for Energy Resources Engineering (CERE), Department of Chemical and Biochemical Engineering, Technical University of Denmark, DK-2800 Lyngby, Denmark.
Process Technologies, Bayer AG, Building E41, 51368 Leverkusen, Germany.
Ind Eng Chem Res. 2021 Apr 7;60(13):4987-5013. doi: 10.1021/acs.iecr.0c05356. Epub 2021 Mar 26.
This paper reports the results of an investigation of industrial requirements for thermodynamic and transport properties carried out during the years 2019-2020. It is a follow-up of a similar investigation performed and published 10 years ago by the Working Party (WP) of Thermodynamics and Transport Properties of European Federation of Chemical Engineering (EFCE). The main goal was to investigate the advances in this area over the past 10 years, to identify the limitations that still exist, and to propose future R&D directions that will address the industrial needs. An updated questionnaire, with two new categories, namely, digitalization and comparison to previous survey/changes over the past 10 years, was sent to a broad number of experts in companies with a diverse activity spectrum, in oil and gas, chemicals, pharmaceuticals/biotechnology, food, chemical/mechanical engineering, consultancy, and power generation, among others, and in software suppliers and contract research laboratories. Very comprehensive answers were received by 37 companies, mostly from Europe (operating globally), but answers were also provided by companies in the USA and Japan. The response rate was about 60%, compared to 47% in the year 2010. The paper is written in such a way that both the majority and minority points of view are presented, and although the discussion is focused on needs and challenges, the benefits of thermodynamics and success stories are also reported. The results of the survey are thematically structured and cover changes, challenges, and further needs for a number of areas of interest such as data, models, systems, properties, and computational aspects (molecular simulation, algorithms and standards, and digitalization). Education and collaboration are discussed and recommendations on the future research activities are also outlined. In addition, a few initiatives, books, and reviews published in the past decade are briefly discussed. It is a long paper and, to provide the reader with a more complete understanding of the survey, many (anonymous) quotations (indicated with "..." and italics) from the industrial colleagues who have participated in the survey are provided. To help disseminate the specific information of interest only to particular industrial sectors, the paper has been written in such a way that the individual sections can also be read independently of each other.
本文报告了2019年至2020年期间对热力学和传输性质的工业需求进行调查的结果。这是欧洲化学工程联合会(EFCE)热力学和传输性质工作组10年前进行并发表的类似调查的后续研究。主要目标是调查过去10年该领域的进展,确定仍然存在的局限性,并提出满足工业需求的未来研发方向。一份更新后的调查问卷被发送给了众多来自不同活动领域的公司的专家,这些领域包括石油和天然气、化工、制药/生物技术、食品、化学/机械工程、咨询以及发电等,还有软件供应商和合同研究实验室。问卷新增了两个类别,即数字化以及与之前调查的比较/过去10年的变化。37家公司给出了非常全面的答复,其中大部分来自欧洲(全球运营),但美国和日本的公司也提供了答复。与2010年47%的回复率相比,此次回复率约为60%。本文的撰写方式兼顾了多数和少数观点,尽管讨论重点是需求和挑战,但也报告了热力学的益处和成功案例。调查结果按主题进行了组织,涵盖了数据、模型、系统、性质以及计算方面(分子模拟、算法和标准以及数字化)等多个感兴趣领域的变化、挑战和进一步需求。文中讨论了教育与合作,并概述了对未来研究活动的建议。此外,还简要讨论了过去十年中发布的一些倡议、书籍和综述。这是一篇长文,为了让读者更全面地了解此次调查,文中提供了许多参与调查的行业同仁(匿名)的引述(用“...”和斜体表示)。为了便于仅向特定工业部门传播感兴趣的特定信息,本文的撰写方式使得各个部分也可以相互独立阅读。