Resumé
| Originalsprog | Engelsk |
|---|---|
| Tidsskrift | Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) |
| Vol/bind | 82 |
| Udgave nummer | 1 |
| Sider (fra-til) | 011801 |
| Antal sider | 15 |
| ISSN | 1539-3755 |
| DOI | |
| Status | Udgivet - 2010 |
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Viscosity kernel of molecular fluids : Butane and polymer melts. / Puscasu, Ruslan; Todd, Billy; Daivis, Peter; Hansen, Jesper Schmidt.
I: Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Bind 82, Nr. 1, 2010, s. 011801.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
TY - JOUR
T1 - Viscosity kernel of molecular fluids
T2 - Butane and polymer melts
AU - Puscasu, Ruslan
AU - Todd, Billy
AU - Daivis, Peter
AU - Hansen, Jesper Schmidt
PY - 2010
Y1 - 2010
N2 - The wave-vector dependent shear viscosities for butane and freely jointed chains have been determined. The transverse momentum density and stress autocorrelation functions have been determined by equilibrium molecular dynamics in both atomic and molecular hydrodynamic formalisms. The density, temperature, and chain length dependencies of the reciprocal and real-space viscosity kernels are presented. We find that the density has a major effect on the shape of the kernel. The temperature range and chain lengths considered here have by contrast less impact on the overall normalized shape. Functional forms that fit the wave-vector-dependent kernel data over a large density and wave-vector range have also been tested. Finally, a structural normalization of the kernels in physical space is considered. Overall, the real-space viscosity kernel has a width of roughly 3–6 atomic diameters, which means that generalized hydrodynamics must be applied in predicting the flow properties of molecular fluids on length scales where the strain rate varies sufficiently in the order of these dimensions (e.g., nanofluidic flows).
AB - The wave-vector dependent shear viscosities for butane and freely jointed chains have been determined. The transverse momentum density and stress autocorrelation functions have been determined by equilibrium molecular dynamics in both atomic and molecular hydrodynamic formalisms. The density, temperature, and chain length dependencies of the reciprocal and real-space viscosity kernels are presented. We find that the density has a major effect on the shape of the kernel. The temperature range and chain lengths considered here have by contrast less impact on the overall normalized shape. Functional forms that fit the wave-vector-dependent kernel data over a large density and wave-vector range have also been tested. Finally, a structural normalization of the kernels in physical space is considered. Overall, the real-space viscosity kernel has a width of roughly 3–6 atomic diameters, which means that generalized hydrodynamics must be applied in predicting the flow properties of molecular fluids on length scales where the strain rate varies sufficiently in the order of these dimensions (e.g., nanofluidic flows).
U2 - 10.1103/PhysRevE.82.011801
DO - 10.1103/PhysRevE.82.011801
M3 - Journal article
VL - 82
SP - 011801
JO - Physical Review E
JF - Physical Review E
SN - 2470-0045
IS - 1
ER -