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

被引：28

作者：

Bazyleva, Ala ^{[1
]}

Abildskov, Jens ^{[2
]}

Anderko, Andrzej ^{[3
]}

Baudouin, Olivier ^{[4
]}

Chernyak, Yury ^{[5
]}

de Hemptinne, Jean-Charles ^{[6
]}

Diky, Vladimir ^{[1
]}

Dohrn, Ralf ^{[7
]}

Elliott, J. Richard ^{[8
]}

Jacquemin, Johan ^{[9
,10
]}

Jaubert, Jean-Noel ^{[11
]}

Joback, Kevin G. ^{[12
]}

Kattner, Ursula R. ^{[13
]}

Kontogeorgis, Georgios M. ^{[2
]}

Loria, Herbert ^{[14
]}

Mathias, Paul M. ^{[15
]}

O'Connell, John P. ^{[16
]}

Schroeer, Wolffram ^{[17
]}

Smith, G. Jeffrey ^{[18
]}

Soto, Ana ^{[19
]}

Wang, Shu ^{[20
]}

Weir, Ronald D. ^{[21
]}

机构：

[1] Natl Inst Stand & Technol, Appl Chem & Mat Div, 325 Broadway,Mailstop 647-01, Boulder, CO 80305 USA

[2] Tech Univ Denmark DTU, Dept Chem & Biochem Engn, Soltofts Plads,Bldg 229, DK-2800 Lyngby, Denmark

[3] OLI Syst 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 Corp, 8600 Gosling Rd, The Woodlands, TX 77381 USA

[6] IFP Energies Nouvelles, 1&4 Ave Bois Preau, F-92852 Rueil Malmaison, France

[7] Bayer AG, Engn & Technol, Proc Technol, Bldg E41, D-51368 Leverkusen, Germany

[8] Univ Akron, Chem & Biomol Engn Dept, Akron, OH 44325 USA

[9] Univ Tours, Fac Sci, Lab PCM2E, Parc Grandmt, F-37200 Tours, France

[10] Mohammed VI Polytech Univ, Mat Sci & Nanoengn, Lot 660 Hay Moulay Rachid, Ben Guerir 43150, Morocco

[11] Univ Lorraine, Lab React & Genie Proc, Ecole Natl Super Ind Chim, UMR CNRS 7274, 1 Rue Grandville, F-54000 Nancy, France

[12] Mol Knowledge Syst Inc, POB 10755, Bedford, NH 03110 USA

[13] Natl Inst Stand & Technol, Mat Sci & Engn Div, 100 Bur Dr,Stop 8555, Gaithersburg, MD 20899 USA

[14] Virtual Mat Grp, Schlumberger Technol, 300 3553-31 St NW, Calgary, AB T2L 2K7, Canada

[15] Fluor Corp, 3 Polaris Way, Aliso Viejo, CA 92656 USA

[16] Univ Virginia, Nipomo, CA 93444 USA

[17] Univ Bremen, Fachbereich 2 Chem Biol, Leobener Str NWII, D-28359 Bremen, Germany

[18] Eastman Chem Co, Bldg 54D,200 South Wilcox Dr, Kingsport, TN 37660 USA

[19] Univ Santiago Compostela, Cretus Inst, Dept Chem Engn, Santiago De Compostela 15782, Spain

[20] AspenTech, 20 Crosby Dr, Bedford, MA 01730 USA

[21] Royal Mil Coll Canada, Dept Chem & Chem Engn, POB 17000,Stn Forces, Kingston, ON K7K 7B4, Canada

来源：

PURE AND APPLIED CHEMISTRY | 2021年 / 93卷 / 02期

关键词：

Good reporting practice; material properties; publication; reporting principles; thermophysical and thermochemical properties; LIQUID-LIQUID EQUILIBRIUM; TEMPERATURE CALIBRATION; PHASE-EQUILIBRIA; GUIDELINES; SYSTEMS;

D O I：

10.1515/pac-2020-0403

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：253 / 272

页数：20

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