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Item type:Publication, Access status: with files , Challenges and research opportunities in chemical thermodynamics, thermophysics, and materials property science(Springer, 2026-07-31); ; ; ; There is robust industrial demand for thermodynamic and thermophysical property data for chemical substances and materials. Unresolved inconsistencies and unexplained anomalies in the data are frequently revealed by data users. Inconsistency appears when either multiple measurements significantly deviate from each other beyond reasonable uncertainties or different reported properties do not obey thermodynamic relations between them. Anomaly here means a reported value or behavior significantly deviating from expectation based on theory or correlation. To address such issues, we have launched the new Thermodynamics Research Center (TRC) Research Challenge Search website. The goals of this service are to encourage researchers to address these problems, identify the need for additional theoretical and experimental development, support the justification of related research proposals, and ultimately provide users with reliable data. This publication provides an overview of the service, presents the current collection of cases, and describes the procedures for user feedback and contribution.Publicationtype: Journal Article30 6 - Some of the metrics are blocked by yourconsent settings
Item type:Publication, Access status: with files , Industrial requirements for thermodynamic and transport properties: 2020(American Chemical Society (ACS), 2021-03-26); ; ; ; 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).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.Publicationtype: Journal ArticleScopus© Citations 96 50 207 - Some of the metrics are blocked by yourconsent settings
Item type:Publication, Access status: with files , Good reporting practice for thermophysical and thermochemical property measurements (IUPAC Technical Report)(De Gruyter, 2021-02-19); ; ; ; Scientific projects frequently involve measurements of thermophysical, thermochemical, and other related properties of chemical compounds and materials. These measured property data have significant potential value for the scientific community, but incomplete and inaccurate reporting often hampers their utilization. The present IUPAC Technical Report summarizes the needs of chemical engineers and researchers as consumers of these data and shows how publishing practices can improve information transfer. In the Report, general principles of Good Reporting Practice are developed together with examples illustrating typical cases of reporting issues. Adoption of these principles will improve the quality, reproducibility, and usefulness of experimental data, bring a better level of consistency to results, and increase the efficiency and impact of research. Closely related to Good Reporting Practice, basic elements of Good Research Practice are also introduced with a goal to reduce the number of ambiguities and unresolved problems within the thermophysical property data domain.Publicationtype: Journal ArticleScopus© Citations 24 50 119