Correlating multicomponent physical property data with Padé approximants : Part II. Projecting pure component behaviour

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Authors

Pretorius, Franco
Dzingai, Pethile
Du Toit, Elizabeth Louisa
Focke, Walter Wilhelm

Journal Title

Journal ISSN

Volume Title

Publisher

Elsevier

Abstract

Physical property data obtained for binary mixtures are conventionally fitted in excess form using the Redlich-Kister equation. The ternary data is then estimated using projections of the binary behaviour on the basis of geometric arguments. It is shown that a more consistent approach entails projection of pure component behaviour onto the simplex region. This generates Padé-type expressions capable of presenting multicomponent data in terms of the pure component temperature dependence using temperature-independent binary parameters. The effectiveness of this concept, for correlating density, viscosity, refractive index and surface tension, was confirmed using ten ternary systems for which data at either three or four different temperatures were available.

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DATA AVAILABILITY : Data will be made available on request.

Keywords

Liquid, Ternary mixture, Padé approximant, Mixture models, Surface tension, Refractive index, Viscosity, Density

Sustainable Development Goals

None

Citation

Pretorius, F., Dzingai, P., Du Toit, E.L. & Focke, W.W. 2024, 'Correlating multicomponent physical property data with Padé approximants: Part II. Projecting pure component behaviour', Journal of Molecular Liquids, vol. 397, art. 124205, pp. 1-14, doi : 10.1016/j.molliq.2024.124205.