ChemSheet - from computational thermodynamics to spreadsheet engineering

Pertti Koukkari, Stephan Petersen

    Research output: Chapter in Book/Report/Conference proceedingChapter or book articleProfessional

    Abstract

    ChemSheet is one from the internationally renowned ChemSage/FactSage family of thermochemical calculation programs, which are extensively used in universities as well as in corporate and government laboratories. With its pioneering Excel interface, ChemSheet offers new possibilities and practical advantages to both scientists and engineers in the use of thermochemical calculations across a wide spectrum of applications by providing the easy-to-use spreadsheet approach towards complex thermodynamic multi-phase problems. ChemSheet offers the same library of subroutines for data handling and phase equilibrium calculation purposes, which are included in the ChemApp Gibbs energy solver. In addition to the predetermined mass balance constraints, which are used for chemical and phase equilibria in Gibbs energy calculations, within the frame of ChemSheet it is easy to use dynamic and immaterial constraints. They allow for calculation of systems controlled by work factors (either systemic or externally induced) as well as of processes controlled by chemical reaction kinetics. Thus, solving e.g. surface and interface energies, Donnan potentials and simulation of chemical or biochemical reaction pathways can be performed.
    Original languageEnglish
    Title of host publicationAdvanced Gibbs Energy Methods for Functional Materials and Processes
    Subtitle of host publicationChemSheet 1999-2009
    Place of PublicationEspoo
    PublisherVTT Technical Research Centre of Finland
    Pages28-45
    ISBN (Electronic)978-951-38-7331-8
    ISBN (Print)978-951-38-7330-1
    Publication statusPublished - 2009
    MoE publication typeNot Eligible

    Publication series

    SeriesVTT Tiedotteita - Research Notes
    Number2506
    ISSN1235-0605

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