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

Ala Bazyleva, Jens Abildskov, Andrzej Anderko, Olivier Baudouin, Yury Chernyak, Jean-Charles de Hemptinne, Vladimir Diky, Ralf Dohrn, J. Richard Elliott, Johan Jacquemin, Jean‐Noël Jaubert, Kevin G. Joback, Ursula R. Kattner, Georgios M. Kontogeorgis, Herbert Loría, Paul M. Mathias, John P. O’Connell, Wolffram Schröer, Graham Smith, Ana Soto, Shu Wang, R. D. Weir

2021Pure and Applied Chemistry41 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

Chemical nomenclatureProperty (philosophy)Consistency (knowledge bases)ChemistryQuality (philosophy)Property valueValue (mathematics)Management scienceComputer scienceOrganic chemistryEpistemologyEngineeringBusinessFinanceArtificial intelligenceReal estatePhilosophyMachine learningChemical Thermodynamics and Molecular StructurePhase Equilibria and ThermodynamicsScientific Measurement and Uncertainty Evaluation