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)
    17 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

    Tuma, C., Laino, T., Martin, E., Stolz, S., & Curioni, A. (2013). Modeling the impact of solid surfaces in thermal degradation processes. ChemPhysChem, 14(1), 88-91. https://doi.org/10.1002/cphc.201200921
    Tuma, Christian ; Laino, Teodoro ; Martin, Elyette ; Stolz, S. ; Curioni, Alessandro. / Modeling the impact of solid surfaces in thermal degradation processes. In: ChemPhysChem. 2013 ; Vol. 14, No. 1. pp. 88-91.
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    keywords = "EWI-22980, IR-83632, METIS-296440",
    author = "Christian Tuma and Teodoro Laino and Elyette Martin and S. Stolz and Alessandro Curioni",
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    Tuma, C, Laino, T, Martin, E, Stolz, S & Curioni, A 2013, 'Modeling the impact of solid surfaces in thermal degradation processes', ChemPhysChem, vol. 14, no. 1, pp. 88-91. https://doi.org/10.1002/cphc.201200921

    Modeling the impact of solid surfaces in thermal degradation processes. / Tuma, Christian; Laino, Teodoro; Martin, Elyette; Stolz, S.; Curioni, Alessandro.

    In: ChemPhysChem, Vol. 14, No. 1, 14.01.2013, p. 88-91.

    Research output: Contribution to journalArticleAcademicpeer-review

    TY - JOUR

    T1 - Modeling the impact of solid surfaces in thermal degradation processes

    AU - Tuma, Christian

    AU - Laino, Teodoro

    AU - Martin, Elyette

    AU - Stolz, S.

    AU - Curioni, Alessandro

    N1 - eemcs-eprint-22980

    PY - 2013/1/14

    Y1 - 2013/1/14

    N2 - 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).

    AB - 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).

    KW - EWI-22980

    KW - IR-83632

    KW - METIS-296440

    U2 - 10.1002/cphc.201200921

    DO - 10.1002/cphc.201200921

    M3 - Article

    VL - 14

    SP - 88

    EP - 91

    JO - ChemPhysChem

    JF - ChemPhysChem

    SN - 1439-4235

    IS - 1

    ER -