Modelling surface tension in binary and ternary systems

Risto Pajarre, Karri Penttilä, Pertti Koukkari, Joonho Lee, Toshihiro Tanaka

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A thermodynamic model for calculating surface tension has been implemented using a standard Gibbs energy minimizing software, ChemSheet. The surface is modelled as a monolayer phase, and surface tension values and the composition of the surface layer are is received using the model in a single equilibrium calculation. In the model, surface area is considered a component of the system and the corresponding calculated chemical potential is directly proportional to the surface tension of the mixture. The results are equivalent to with those of the commonly used Butler model and in a good agreement with experimental values. The model can handle mixtures of multiple components and any nonideal mixture phase data compatible with the ChemSheet (ChemApp/ChemSage) data format, while the thermodynamic excess energy equations for the surface phase can be adjusted in the model based on theoretical and empirical considerations for the surface phase interactions. Model cases include binary and ternary metal alloys.

Original languageEnglish
Title of host publicationVTT Symposium (Valtion Teknillinen Tutkimuskeskus)
Pages257-267
Number of pages11
Edition244
Publication statusPublished - 2006 Dec 1
EventApplied Material Research at VTT - Espoo, Finland
Duration: 2006 Jun 82006 Jun 8

Other

OtherApplied Material Research at VTT
CountryFinland
CityEspoo
Period06/6/806/6/8

Fingerprint

Ternary systems
Surface tension
Thermodynamics
Chemical potential
Gibbs free energy
Monolayers
Metals
Chemical analysis

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Pajarre, R., Penttilä, K., Koukkari, P., Lee, J., & Tanaka, T. (2006). Modelling surface tension in binary and ternary systems. In VTT Symposium (Valtion Teknillinen Tutkimuskeskus) (244 ed., pp. 257-267)

Modelling surface tension in binary and ternary systems. / Pajarre, Risto; Penttilä, Karri; Koukkari, Pertti; Lee, Joonho; Tanaka, Toshihiro.

VTT Symposium (Valtion Teknillinen Tutkimuskeskus). 244. ed. 2006. p. 257-267.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Pajarre, R, Penttilä, K, Koukkari, P, Lee, J & Tanaka, T 2006, Modelling surface tension in binary and ternary systems. in VTT Symposium (Valtion Teknillinen Tutkimuskeskus). 244 edn, pp. 257-267, Applied Material Research at VTT, Espoo, Finland, 06/6/8.
Pajarre R, Penttilä K, Koukkari P, Lee J, Tanaka T. Modelling surface tension in binary and ternary systems. In VTT Symposium (Valtion Teknillinen Tutkimuskeskus). 244 ed. 2006. p. 257-267
Pajarre, Risto ; Penttilä, Karri ; Koukkari, Pertti ; Lee, Joonho ; Tanaka, Toshihiro. / Modelling surface tension in binary and ternary systems. VTT Symposium (Valtion Teknillinen Tutkimuskeskus). 244. ed. 2006. pp. 257-267
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