Good reporting practice for thermophysical and thermochemical property measurements (IUPAC Technical Report)-Reference-Cited by-同舟云学术

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

Published:2021-02-01 Issue:2 Volume:93 Page:253-272
ISSN:1365-3075
Container-title:Pure and Applied Chemistry
language:en
Short-container-title:

Author:

Bazyleva Ala¹,Abildskov Jens²,Anderko Andrzej³,Baudouin Olivier⁴,Chernyak Yury⁵,de Hemptinne Jean-Charles⁶,Diky Vladimir¹,Dohrn Ralf⁷,Elliott J. Richard⁸,Jacquemin Johan⁹¹⁰,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,Wang Shu²⁰,Weir Ronald D.²¹

Affiliation:

1. Applied Chemicals and Materials Division , National Institute of Standards and Technology , 325 Broadway , Mailstop 647.01 , Boulder , CO 80305-3337 , USA

2. Department of Chemical and Biochemical Engineering , Technical University of Denmark (DTU) , Søltofts Plads, Building 229 , 2800 Kgs. Lyngby , Denmark

3. OLI Systems Inc. , 2 Gatehall Dr , Suite 1D , Parsippany , NJ 07054 , USA

4. ProSim SA, Immeuble Stratege A , 51 rue Ampere , F-31670 Labege , France

5. Huntsman Corporation , 8600 Gosling Rd. , The Woodlands , TX 77381 , USA

6. IFP Energies Nouvelles , 1&4 Avenue de Bois-Préau , F-92852 Rueil Malmaison Cedex , France

7. Bayer AG, Engineering & Technology, Process Technologies , Building E41 , 51368 Leverkusen , Germany

8. Chemical and Biomolecular Engineering Department , The University of Akron , Akron , OH 44325-3906 , USA

9. Laboratoire PCM2E, Faculté des Sciences , Université de Tours , Parc Grandmont , 37200 Tours , France

10. Materials Science and Nano-Engineering , Mohammed VI Polytechnic University , Lot 660-Hay Moulay Rachid , 43150 , Ben Guerir , Morocco

11. Université de Lorraine, École Nationale Supérieure des Industries Chimiques , Laboratoire Réactions et Génie des Procédés (UMR CNRS 7274) , 1 rue Grandville , 54000 Nancy , France

12. Molecular Knowledge Systems, Inc. , PO Box 10755 , Bedford , NH 03110-0755 , USA

13. Materials Science and Engineering Division , National Institute of Standards and Technology , 100 Bureau Dr. , Stop 8555 , Gaithersburg , MD 20899 , USA

14. Virtual Materials Group, A Schlumberger Technology , #300, 3553-31 Street NW, Calgary , T2L 2K7 Alberta , Canada

15. Fluor Corporation , 3 Polaris Way , Aliso Viejo , CA 92656 , USA

16. University of Virginia (Retired) , Nipomo , CA 93444 , USA

17. Fachbereich 2 Chemie-Biologie , Universität Bremen , Leobener Straße NWII , 28359 Bremen , Germany

18. Eastman Chemical Company , Building 54D , 200 South Wilcox Drive , Kingsport , TN 37660 , USA

19. Department of Chemical Engineering , Universidade de Santiago de Compostela, Cretus Institute , 15782 Santiago de Compostela , Spain

20. AspenTech , 20 Crosby Drive , Bedford , MA 01730 , USA

21. Department of Chemistry and Chemical Engineering , Royal Military College of Canada , P.O. Box 17000 , Stn Forces , Kingston , K7K 7B4 ON , Canada

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.

Publisher

Walter de Gruyter GmbH

Subject

General Chemical Engineering,General Chemistry

Reference47 articles.

1. M. D. Wilkinson, M. Dumontier, IJ. J. Aalbersberg, G. Appleton, M. Axton, A. Baak, N. Blomberg, J.-W. Boiten, L. B. da Silva Santos, P. E. Bourne, J. Bouwman, A. J. Brookes, T. Clark, M. Crosas, I. Dillo, O. Dumon, S. Edmunds, C. T. Evelo, R. Finkers, A. Gonzalez-Beltran, A. J. G. Gray, P. Groth, C. Goble, J. S. Grethe, J. Heringa, P. A. C. 't Hoen, R. Hooft, T. Kuhn, R. Kok, J. Kok, S. J. Lusher, M. E. Martone, A. Mons, A. L. Packer, B. Persson, P. Rocca-Serra, M. Roos, R. van Schaik, S.-A. Sansone, E. Schultes, T. Sengstag, T. Slater, G. Strawn, M. A. Swertz, M. Thompson, J. van der Lei, E. van Mulligen, J. Velterop, A. Waagmeester, P. Wittenburg, K. Wolstencroft, J. Zhao, B. Mons. Sci. Data3, 160028 (2016), https://doi.org/10.1038/sdata.2016.18.

2. R. D. Chirico, T. W. de Loos, J. Gmehling, A. R. H. Goodwin, S. Gupta, W. M. Haynes, K. N. Marsh, V. Rives, J. D. Olson, C. Spencer, J. F. Brennecke, J. P. M. Trusler. Pure Appl. Chem.84, 1785 (2012), https://doi.org/10.1351/PAC-REC-11-05-02.

3. L. Gardossi, P. B. Poulsen, A. Ballesteros, K. Hult, V. K. Švedas, Đ. Vasić-Rački, G. Carrea, A. Magnusson, A. Schmid, R. Wohlgemuth, P. J. Halling. Trends Biotechnol.28, 171 (2010), https://doi.org/10.1016/j.tibtech.2010.01.001.

4. Guidelines and Examples for the Journal of Chemical and Engineering Data. https://trc.nist.gov/JournalCoop/JCED/ (accessed Feb 11, 2020).

5. Joint Committee for Guides in Metrology. JCGM 100:2008, Evaluation of Measurement Data – Guide to the Expression of Uncertainty in Measurement, BIPM, Sèvres, France (2008). https://www.bipm.org/utils/common/documents/jcgm/JCGM_100_2008_E.pdf (accessed Nov 22, 2019).

Cited by 25 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. High-pressure fluid-phase equilibria: Experimental methods, developments and systems investigated (2013–2016);Fluid Phase Equilibria;2024-04

2. Liquid–Liquid Phase Equilibrium in Ternary Mixtures of Methanol;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2024

3. Chemical data evaluation: general considerations and approaches for IUPAC projects and the chemistry community (IUPAC Technical Report);Pure and Applied Chemistry;2023-08-21

4. Recommendations for performing measurements of apparent equilibrium constants of enzyme-catalyzed reactions and for reporting the results of these measurements;Beilstein Journal of Organic Chemistry;2023-03-15

5. Scientific publications and data evaluation in the digital age (a perspective of a thermodynamics researcher);Fluid Phase Equilibria;2023-01