Viscosity of liquid water from computer simulations with a polarizable potential model

Citation
U. Balucani et al., Viscosity of liquid water from computer simulations with a polarizable potential model, PHYS REV E, 62(2), 2000, pp. 2971-2973
Citations number
16
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
62
Issue
2
Year of publication
2000
Part
B
Pages
2971 - 2973
Database
ISI
SICI code
1063-651X(200008)62:2<2971:VOLWFC>2.0.ZU;2-M
Abstract
The longitudinal and shear viscosity of water are calculated by molecular d ynamics simulation with a polarizable potential model at room temperature. To overcome the difficulty of evaluating directly the stress autocorrelatio n function of a system with intrinsically many-body forces, we have resorte d to the analysis of the wave-vector-dependent longitudinal and transverse- current correlation functions. In a memory function formalism, the generali zed viscosity can be evaluated as a function of the wave vector k. By extra polating to k=0, we find longitudinal and shear viscosity values in better agreement with the experimental value than the corresponding quantities eva luated by making use of a nonpolarizable potential model. This result point s out that for a realistic reproduction of transport quantities, it is cruc ial to take into account many-body contributions to the interaction potenti al.