Počet záznamů: 1
Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice
- 1.0367189 - ÚOCHB 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. E-ISSN 1463-9084
Grant CEP: GA ČR(CZ) GAP208/10/1724; GA MŠMT ME09064; GA MŠMT 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
Počet záznamů: 1