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 article in proceedingsScientific

    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 non-ideal 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 publicationApplied Material Research at VTT
    Subtitle of host publicationSymposium on Applied Materials
    Place of PublicationEspoo
    PublisherVTT Technical Research Centre of Finland
    Pages257-267
    ISBN (Electronic)951-38-6312-3
    ISBN (Print)951-38-6311-5
    Publication statusPublished - 2006
    MoE publication typeB3 Non-refereed article in conference proceedings
    EventInternal Symposium on Applied Materials - Espoo, Finland
    Duration: 8 Jun 20068 Jun 2006

    Publication series

    SeriesVTT Symposium
    Number244
    ISSN0357-9387

    Conference

    ConferenceInternal Symposium on Applied Materials
    Country/TerritoryFinland
    CityEspoo
    Period8/06/068/06/06

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