Počet záznamů: 1

Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice

  1. 1.
    0367189 - UOCHB-X 2012 RIV GB eng J - Článek v odborném periodiku
    Gladich, Ivan - Pfalzgraff, W. - Maršálek, Ondřej - Jungwirth, Pavel - Roeselová, Martina - Neshyba, S.
    Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice.
    Physical Chemistry Chemical Physics. Roč. 13, č. 44 (2011), s. 19960-19969 ISSN 1463-9076
    Grant CEP: GA ČR(CZ) GAP208/10/1724; GA MŠk ME09064; GA MŠk LC512
    Grant ostatní: NSF(US) CHE-0909227
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: molecular dynamics simulation * ice-vapor interface * quasi-liquid layer
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 3.573, rok: 2011

    We present MD simulations of self-diffusion in the quasi-liquid layer on ice. Our results indicate a positive Arrhenius curvature, implying a change in the mechanism of self-diffusion from low to high temperature, with a concomitant increase in energy of activation from 29.1 kJ mol^−1 at low temperature to 53.8 kJ mol^−1 close to the melting point. In addition, we find that the surface self-diffusion is anisotropic at lower temperatures, transitioning to isotropic in the temperature range of 240–250 K.
    Trvalý link: http://hdl.handle.net/11104/0201942