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Molecular dynamics study of orientational cooperativity in water
Kumar, Pradeep; Franzese, Giancarlo; Buldyrev, V. S. (Vladimir Sergeevich); Stanley, H. Eugene (Harry Eugene), 1941-
Universitat de Barcelona
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.
Equacions d'estat
Química física
Reologia
Equations of state
Physical chemistry
Rheology
(c) American Physical Society, 2006
Artículo
info:eu-repo/semantics/publishedVersion
The American Physical Society
         

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