Molecular dynamics study of orientational cooperativity in water


Autoria(s): Kumar, Pradeep; Franzese, Giancarlo; Buldyrev, V. S. (Vladimir Sergeevich); Stanley, H. Eugene (Harry Eugene), 1941-
Contribuinte(s)

Universitat de Barcelona

Data(s)

26/07/2011

Resumo

Recent experiments on liquid water show collective dipole orientation fluctuations dramatically slower than expected (with relaxation time >tation, the self-dipole randomization time tr, which is an upper limit on ta; we find that tr5ta. Third, to check if there are correlated domains of dipoles in water which have large relaxation times compared to the individual dipoles, we calculate the randomization time tbox of the site-dipole field, the net dipole moment formed by a set of molecules belonging to a box of edge Lbox. We find that the site-dipole randomization time tbox2.5ta for Lbox3 , i.e., it is shorter than the same quantity calculated for the self-dipole. Finally, we find that the orientational correlation length is short even at low T.

Identificador

http://hdl.handle.net/2445/18789

Idioma(s)

eng

Publicador

The American Physical Society

Direitos

(c) American Physical Society, 2006

Palavras-Chave #Equacions d'estat #Química física #Reologia #Equations of state #Physical chemistry #Rheology
Tipo

info:eu-repo/semantics/article