Modeling the impact of solid surfaces in thermal degradation processes

Christian Tuma, Teodoro Laino, Elyette Martin, S. Stolz, Alessandro Curioni

    Research output: Contribution to journalArticleAcademicpeer-review

    3 Citations (Scopus)
    28 Downloads (Pure)

    Abstract

    First-principles simulations are carried out to generate reaction profiles for the initial steps of the thermal decomposition of glycerol, propylene glycol, and triacetin over the surfaces of pseudo-amorphous carbon and silica, crystalline zirconia [001], and crystalline alumina (0001).
    Original languageUndefined
    Pages (from-to)88-91
    Number of pages4
    JournalChemPhysChem
    Volume14
    Issue number1
    DOIs
    Publication statusPublished - 14 Jan 2013

    Keywords

    • EWI-22980
    • IR-83632
    • METIS-296440

    Cite this