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Good reporting practice for thermophysical and thermochemical property measurements (IUPAC Technical Report)

Authors
  • Bazyleva, Ala1
  • Abildskov, Jens2
  • Anderko, Andrzej3
  • Baudouin, Olivier4
  • Chernyak, Yury5
  • de Hemptinne, Jean-Charles6
  • Diky, Vladimir1
  • Dohrn, Ralf7
  • Elliott, J. Richard8
  • Jacquemin, Johan9, 10
  • Jaubert, Jean-Noel11
  • Joback, Kevin G.12
  • Kattner, Ursula R.13
  • Kontogeorgis, Georgios M.2
  • Loria, Herbert14
  • Mathias, Paul M.15
  • O’Connell, John P.16
  • Schröer, Wolffram17
  • Smith, G. Jeffrey18
  • Soto, Ana19
  • And 2 more
  • 1 National Institute of Standards and Technology, 325 Broadway, Mailstop 647.01, 80305-3337 , (United States)
  • 2 Technical University of Denmark (DTU), Søltofts Plads, Building 229, 2800 Kgs. , (Denmark)
  • 3 OLI Systems Inc., 2 Gatehall Dr, Suite 1D, 07054 , (United States)
  • 4 ProSim SA, Immeuble Stratege A, 51 rue Ampere, F-31670 , (France)
  • 5 Huntsman Corporation, 8600 Gosling Rd., 77381 , (United Kingdom)
  • 6 IFP Energies Nouvelles, 1&4 Avenue de Bois-Préau, F-92852 , (France)
  • 7 Bayer AG, Engineering & Technology, Process Technologies, Building E41, 51368 , (Germany)
  • 8 The University of Akron, 44325-3906 , (United States)
  • 9 Université de Tours, Parc Grandmont, 37200 , (France)
  • 10 Mohammed VI Polytechnic University, Lot 660-Hay Moulay Rachid, 43150 , (Morocco)
  • 11 Laboratoire Réactions et Génie des Procédés (UMR CNRS 7274), 1 rue Grandville, 54000 , (France)
  • 12 Molecular Knowledge Systems, Inc., PO Box 10755, 03110-0755 , (United States)
  • 13 National Institute of Standards and Technology, 100 Bureau Dr., Stop 8555, 20899 , (United States)
  • 14 Virtual Materials Group, A Schlumberger Technology, #300, 3553-31 Street NW, Calgary, T2L 2K7 , (Canada)
  • 15 Fluor Corporation, 3 Polaris Way, 92656 , (United States)
  • 16 University of Virginia (Retired), 93444 , (United States)
  • 17 Universität Bremen, Leobener Straße NWII, 28359 , (Germany)
  • 18 Eastman Chemical Company, Building 54D, 200 South Wilcox Drive, 37660 , (United States)
  • 19 Universidade de Santiago de Compostela, Cretus Institute, 15782 , (Spain)
  • 20 AspenTech, 20 Crosby Drive, 01730 , (United States)
  • 21 Royal Military College of Canada, P.O. Box 17000, Stn Forces, K7K 7B4 , (Canada)
Type
Published Article
Journal
Pure and Applied Chemistry
Publisher
Walter de Gruyter GmbH
Publication Date
Feb 19, 2021
Volume
93
Issue
2
Pages
253–272
Identifiers
DOI: 10.1515/pac-2020-0403
Source
De Gruyter
Keywords
License
Yellow

Abstract

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.

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