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Industrial Requirements for Thermodynamic and Transport Properties: 2020

[Image: see text] 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 Thermodyna...

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Autores principales: Kontogeorgis, Georgios M., Dohrn, Ralf, Economou, Ioannis G., de Hemptinne, Jean-Charles, ten Kate, Antoon, Kuitunen, Susanna, Mooijer, Miranda, Žilnik, Ljudmila Fele, Vesovic, Velisa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8033561/
https://www.ncbi.nlm.nih.gov/pubmed/33840887
http://dx.doi.org/10.1021/acs.iecr.0c05356
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author Kontogeorgis, Georgios M.
Dohrn, Ralf
Economou, Ioannis G.
de Hemptinne, Jean-Charles
ten Kate, Antoon
Kuitunen, Susanna
Mooijer, Miranda
Žilnik, Ljudmila Fele
Vesovic, Velisa
author_facet Kontogeorgis, Georgios M.
Dohrn, Ralf
Economou, Ioannis G.
de Hemptinne, Jean-Charles
ten Kate, Antoon
Kuitunen, Susanna
Mooijer, Miranda
Žilnik, Ljudmila Fele
Vesovic, Velisa
author_sort Kontogeorgis, Georgios M.
collection PubMed
description [Image: see text] 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).(1) 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.
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spelling pubmed-80335612021-04-09 Industrial Requirements for Thermodynamic and Transport Properties: 2020 Kontogeorgis, Georgios M. Dohrn, Ralf Economou, Ioannis G. de Hemptinne, Jean-Charles ten Kate, Antoon Kuitunen, Susanna Mooijer, Miranda Žilnik, Ljudmila Fele Vesovic, Velisa Ind Eng Chem Res [Image: see text] 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).(1) 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. American Chemical Society 2021-03-26 2021-04-07 /pmc/articles/PMC8033561/ /pubmed/33840887 http://dx.doi.org/10.1021/acs.iecr.0c05356 Text en © 2021 The Authors. Published by American Chemical Society Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Kontogeorgis, Georgios M.
Dohrn, Ralf
Economou, Ioannis G.
de Hemptinne, Jean-Charles
ten Kate, Antoon
Kuitunen, Susanna
Mooijer, Miranda
Žilnik, Ljudmila Fele
Vesovic, Velisa
Industrial Requirements for Thermodynamic and Transport Properties: 2020
title Industrial Requirements for Thermodynamic and Transport Properties: 2020
title_full Industrial Requirements for Thermodynamic and Transport Properties: 2020
title_fullStr Industrial Requirements for Thermodynamic and Transport Properties: 2020
title_full_unstemmed Industrial Requirements for Thermodynamic and Transport Properties: 2020
title_short Industrial Requirements for Thermodynamic and Transport Properties: 2020
title_sort industrial requirements for thermodynamic and transport properties: 2020
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8033561/
https://www.ncbi.nlm.nih.gov/pubmed/33840887
http://dx.doi.org/10.1021/acs.iecr.0c05356
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