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Page 1
Industrial Requirements for Thermodynamic and Transport Properties: 2020.
Ind Eng Chem Res. 2021 Apr 7;60(13):4987-5013. doi: 10.1021/acs.iecr.0c05356. Epub 2021 Mar 26.
Ind Eng Chem Res. 2021.
PMID: 33840887
Free PMC article.
Good Reporting Practice for Thermophysical and Thermochemical Property Measurements (IUPAC Technical Report).
Bazyleva A, Abildskov J, Anderko A, Baudouin O, Chernyak Y, de Hemptinne JC, Diky V, Dohrn R, Richard JE, Jacquemin J, Jaubert JN, Joback KG, Kattner UR, Kontogeorgis G, Loria H, Mathias PM, O'Connell JP, Schröer W, Smith GJ, Soto A, Wang S, Weir RD.
Bazyleva A, et al. Among authors: de hemptinne jc.
Pure Appl Chem. 2021;93(2):10.1515/pac-2020-0403. doi: 10.1515/pac-2020-0403.
Pure Appl Chem. 2021.
PMID: 34924633
Free PMC article.
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Prediction of the PC-SAFT associating parameters by molecular simulation.
Ferrando N, de Hemptinne JC, Mougin P, Passarello JP.
Ferrando N, et al. Among authors: de hemptinne jc.
J Phys Chem B. 2012 Jan 12;116(1):367-77. doi: 10.1021/jp209313a. Epub 2011 Dec 12.
J Phys Chem B. 2012.
PMID: 22126437
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A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes.
Nieto-Draghi C, Fayet G, Creton B, Rozanska X, Rotureau P, de Hemptinne JC, Ungerer P, Rousseau B, Adamo C.
Nieto-Draghi C, et al. Among authors: de hemptinne jc.
Chem Rev. 2015 Dec 23;115(24):13093-164. doi: 10.1021/acs.chemrev.5b00215. Epub 2015 Dec 1.
Chem Rev. 2015.
PMID: 26624238
No abstract available.
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A non-additive repulsive contribution in an equation of state: The development for homonuclear square well chains equation of state validated against Monte Carlo simulation.
Trinh TK, Passarello JP, de Hemptinne JC, Lugo R, Lachet V.
Trinh TK, et al. Among authors: de hemptinne jc.
J Chem Phys. 2016 Mar 28;144(12):124902. doi: 10.1063/1.4944068.
J Chem Phys. 2016.
PMID: 27036474
Free article.
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Molecular modeling of diffusion coefficient and ionic conductivity of CO2 in aqueous ionic solutions.
Garcia-Ratés M, de Hemptinne JC, Bonet Avalos J, Nieto-Draghi C.
Garcia-Ratés M, et al. Among authors: de hemptinne jc.
J Phys Chem B. 2012 Mar 8;116(9):2787-800. doi: 10.1021/jp2081758. Epub 2012 Feb 27.
J Phys Chem B. 2012.
PMID: 22292779
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Diffusion coefficients in CO2/n-alkane binary liquid mixtures by molecular simulation.
Zabala D, Nieto-Draghi C, de Hemptinne JC, López de Ramos AL.
Zabala D, et al. Among authors: de hemptinne jc.
J Phys Chem B. 2008 Dec 25;112(51):16610-8. doi: 10.1021/jp8042329.
J Phys Chem B. 2008.
PMID: 19367942
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