Tetrahydrofuran Clathrate Hydrate Formation

Heiko Conrad, Felix Lehmkuhler, Christian Sternemann, Arto Sakko, Dietmar Paschek, Laura Simonelli, Simo Huotari, Omid Feroughi, Metin Tolan, Keijo Hämäläinen

    Research output: Contribution to journalArticleScientificpeer-review

    Abstract

    We report on the formation of tetrahydrofuran clathrate hydrate studied by x-ray Raman scattering measurements at the oxygen K edge. A comparison of x-ray Raman spectra measured from water-tetrahydrofuran mixtures and tetrahydrofuran hydrate at different temperatures supports stochastic hydrate formation models rather than models assuming hydrate precursors. This is confirmed by molecular dynamics simulations and density functional theory calculations of x-ray Raman spectra. In addition, changes in the spectra of tetrahydrofuran hydrate with temperatures close to the hydrate's dissociation temperature were observed and may be connected to changes in hydrate's local structure due to the formation of hydrogen bonds between guest and water molecules.
    Original languageEnglish
    JournalPhysical Review Letters
    Volume103
    Issue number21
    Pages (from-to)218301
    Number of pages4
    ISSN0031-9007
    DOIs
    Publication statusPublished - 2009
    MoE publication typeA1 Journal article-refereed

    Cite this

    Conrad, H., Lehmkuhler, F., Sternemann, C., Sakko, A., Paschek, D., Simonelli, L., ... Hämäläinen, K. (2009). Tetrahydrofuran Clathrate Hydrate Formation. Physical Review Letters, 103(21), 218301. https://doi.org/10.1103/PhysRevLett.103.218301
    Conrad, Heiko ; Lehmkuhler, Felix ; Sternemann, Christian ; Sakko, Arto ; Paschek, Dietmar ; Simonelli, Laura ; Huotari, Simo ; Feroughi, Omid ; Tolan, Metin ; Hämäläinen, Keijo. / Tetrahydrofuran Clathrate Hydrate Formation. In: Physical Review Letters. 2009 ; Vol. 103, No. 21. pp. 218301.
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    title = "Tetrahydrofuran Clathrate Hydrate Formation",
    abstract = "We report on the formation of tetrahydrofuran clathrate hydrate studied by x-ray Raman scattering measurements at the oxygen K edge. A comparison of x-ray Raman spectra measured from water-tetrahydrofuran mixtures and tetrahydrofuran hydrate at different temperatures supports stochastic hydrate formation models rather than models assuming hydrate precursors. This is confirmed by molecular dynamics simulations and density functional theory calculations of x-ray Raman spectra. In addition, changes in the spectra of tetrahydrofuran hydrate with temperatures close to the hydrate's dissociation temperature were observed and may be connected to changes in hydrate's local structure due to the formation of hydrogen bonds between guest and water molecules.",
    author = "Heiko Conrad and Felix Lehmkuhler and Christian Sternemann and Arto Sakko and Dietmar Paschek and Laura Simonelli and Simo Huotari and Omid Feroughi and Metin Tolan and Keijo H{\"a}m{\"a}l{\"a}inen",
    year = "2009",
    doi = "10.1103/PhysRevLett.103.218301",
    language = "English",
    volume = "103",
    pages = "218301",
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    Conrad, H, Lehmkuhler, F, Sternemann, C, Sakko, A, Paschek, D, Simonelli, L, Huotari, S, Feroughi, O, Tolan, M & Hämäläinen, K 2009, 'Tetrahydrofuran Clathrate Hydrate Formation' Physical Review Letters, vol. 103, no. 21, pp. 218301. https://doi.org/10.1103/PhysRevLett.103.218301

    Tetrahydrofuran Clathrate Hydrate Formation. / Conrad, Heiko; Lehmkuhler, Felix; Sternemann, Christian; Sakko, Arto; Paschek, Dietmar; Simonelli, Laura; Huotari, Simo; Feroughi, Omid; Tolan, Metin; Hämäläinen, Keijo.

    In: Physical Review Letters, Vol. 103, No. 21, 2009, p. 218301.

    Research output: Contribution to journalArticleScientificpeer-review

    TY - JOUR

    T1 - Tetrahydrofuran Clathrate Hydrate Formation

    AU - Conrad, Heiko

    AU - Lehmkuhler, Felix

    AU - Sternemann, Christian

    AU - Sakko, Arto

    AU - Paschek, Dietmar

    AU - Simonelli, Laura

    AU - Huotari, Simo

    AU - Feroughi, Omid

    AU - Tolan, Metin

    AU - Hämäläinen, Keijo

    PY - 2009

    Y1 - 2009

    N2 - We report on the formation of tetrahydrofuran clathrate hydrate studied by x-ray Raman scattering measurements at the oxygen K edge. A comparison of x-ray Raman spectra measured from water-tetrahydrofuran mixtures and tetrahydrofuran hydrate at different temperatures supports stochastic hydrate formation models rather than models assuming hydrate precursors. This is confirmed by molecular dynamics simulations and density functional theory calculations of x-ray Raman spectra. In addition, changes in the spectra of tetrahydrofuran hydrate with temperatures close to the hydrate's dissociation temperature were observed and may be connected to changes in hydrate's local structure due to the formation of hydrogen bonds between guest and water molecules.

    AB - We report on the formation of tetrahydrofuran clathrate hydrate studied by x-ray Raman scattering measurements at the oxygen K edge. A comparison of x-ray Raman spectra measured from water-tetrahydrofuran mixtures and tetrahydrofuran hydrate at different temperatures supports stochastic hydrate formation models rather than models assuming hydrate precursors. This is confirmed by molecular dynamics simulations and density functional theory calculations of x-ray Raman spectra. In addition, changes in the spectra of tetrahydrofuran hydrate with temperatures close to the hydrate's dissociation temperature were observed and may be connected to changes in hydrate's local structure due to the formation of hydrogen bonds between guest and water molecules.

    U2 - 10.1103/PhysRevLett.103.218301

    DO - 10.1103/PhysRevLett.103.218301

    M3 - Article

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    SP - 218301

    JO - Physical Review Letters

    JF - Physical Review Letters

    SN - 0031-9007

    IS - 21

    ER -

    Conrad H, Lehmkuhler F, Sternemann C, Sakko A, Paschek D, Simonelli L et al. Tetrahydrofuran Clathrate Hydrate Formation. Physical Review Letters. 2009;103(21):218301. https://doi.org/10.1103/PhysRevLett.103.218301