Tetrahydrofuran Clathrate Hydrate Formation

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

    Tutkimustuotos: ArtikkelijulkaisuArtikkeliTieteellinenvertaisarvioitu

    Abstrakti

    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.
    Alkuperäiskielienglanti
    LehtiPhysical Review Letters
    Vuosikerta103
    Numero21
    Sivut218301
    Sivumäärä4
    ISSN0031-9007
    DOI - pysyväislinkit
    TilaJulkaistu - 2009
    OKM-julkaisutyyppiA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu

    Siteeraa tätä

    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, 103(21), 218301. https://doi.org/10.1103/PhysRevLett.103.218301