Catalytic synthesis of ammonia using vibrationally excited nitrogen molecules

Theoretical calculation of equilibrium and rate constants

Flemming Yssing Hansen, Niels Engholm Henriksen, Gert D. Billing, Annette Guldberg

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    The dissociation of nitrogen is the rate-limiting step in the catalytic synthesis of ammonia. Theoretical calculations have shown that the dissociative sticking probability of molecular nitrogen on catalytic active metal surfaces is enhanced by orders of magnitude when the molecules are vibrationally excited to states with quantum numbers 3-10. The rate and equilibrium constants for the process using vibrationally excited nitrogen molecules are calculated and expressions for the reaction rates are derived. A comparison with the ordinary process, where the nitrogen molecules are in the vibrational ground state, shows a great potential for a significant improvement of the yield in the process.
    Original languageEnglish
    JournalSurface Science
    Volume264
    Issue number1-2
    Pages (from-to)225-234
    ISSN0039-6028
    DOIs
    Publication statusPublished - 1992

    Cite this

    @article{78d359aa9d5e4bfbb5fdda26459fb647,
    title = "Catalytic synthesis of ammonia using vibrationally excited nitrogen molecules: Theoretical calculation of equilibrium and rate constants",
    abstract = "The dissociation of nitrogen is the rate-limiting step in the catalytic synthesis of ammonia. Theoretical calculations have shown that the dissociative sticking probability of molecular nitrogen on catalytic active metal surfaces is enhanced by orders of magnitude when the molecules are vibrationally excited to states with quantum numbers 3-10. The rate and equilibrium constants for the process using vibrationally excited nitrogen molecules are calculated and expressions for the reaction rates are derived. A comparison with the ordinary process, where the nitrogen molecules are in the vibrational ground state, shows a great potential for a significant improvement of the yield in the process.",
    author = "Hansen, {Flemming Yssing} and Henriksen, {Niels Engholm} and Billing, {Gert D.} and Annette Guldberg",
    year = "1992",
    doi = "10.1016/0039-6028(92)90180-E",
    language = "English",
    volume = "264",
    pages = "225--234",
    journal = "Surface Science",
    issn = "0039-6028",
    publisher = "Elsevier",
    number = "1-2",

    }

    Catalytic synthesis of ammonia using vibrationally excited nitrogen molecules : Theoretical calculation of equilibrium and rate constants. / Hansen, Flemming Yssing; Henriksen, Niels Engholm; Billing, Gert D.; Guldberg, Annette.

    In: Surface Science, Vol. 264, No. 1-2, 1992, p. 225-234.

    Research output: Contribution to journalJournal articleResearchpeer-review

    TY - JOUR

    T1 - Catalytic synthesis of ammonia using vibrationally excited nitrogen molecules

    T2 - Theoretical calculation of equilibrium and rate constants

    AU - Hansen, Flemming Yssing

    AU - Henriksen, Niels Engholm

    AU - Billing, Gert D.

    AU - Guldberg, Annette

    PY - 1992

    Y1 - 1992

    N2 - The dissociation of nitrogen is the rate-limiting step in the catalytic synthesis of ammonia. Theoretical calculations have shown that the dissociative sticking probability of molecular nitrogen on catalytic active metal surfaces is enhanced by orders of magnitude when the molecules are vibrationally excited to states with quantum numbers 3-10. The rate and equilibrium constants for the process using vibrationally excited nitrogen molecules are calculated and expressions for the reaction rates are derived. A comparison with the ordinary process, where the nitrogen molecules are in the vibrational ground state, shows a great potential for a significant improvement of the yield in the process.

    AB - The dissociation of nitrogen is the rate-limiting step in the catalytic synthesis of ammonia. Theoretical calculations have shown that the dissociative sticking probability of molecular nitrogen on catalytic active metal surfaces is enhanced by orders of magnitude when the molecules are vibrationally excited to states with quantum numbers 3-10. The rate and equilibrium constants for the process using vibrationally excited nitrogen molecules are calculated and expressions for the reaction rates are derived. A comparison with the ordinary process, where the nitrogen molecules are in the vibrational ground state, shows a great potential for a significant improvement of the yield in the process.

    U2 - 10.1016/0039-6028(92)90180-E

    DO - 10.1016/0039-6028(92)90180-E

    M3 - Journal article

    VL - 264

    SP - 225

    EP - 234

    JO - Surface Science

    JF - Surface Science

    SN - 0039-6028

    IS - 1-2

    ER -