Details
| Originalsprache | Englisch |
|---|---|
| Seiten (von - bis) | 3671-3687 |
| Seitenumfang | 17 |
| Fachzeitschrift | Journal of Chemical Physics |
| Jahrgang | 121 |
| Ausgabenummer | 8 |
| Frühes Online-Datum | 10 Aug. 2004 |
| Publikationsstatus | Veröffentlicht - 22 Aug. 2004 |
| Extern publiziert | Ja |
Abstract
The transport coefficients of the Lennard-Jones model fluid were analyzed with high accuracy from equilibrium molecular-dynamics simulations. The generalized Einstein relations were employed to evaluate the transport coefficients, in the frame of time-correlation function theory. The kinetic-kinetic, kinetic-potential and potential-potential viscosity contributions were resolved over the whole range of fluid states. The aspects of the momentum-transport mechanisms on the molecular scale were revealed by an additional analysis of the shear-stress correlation functions.
ASJC Scopus Sachgebiete
- Physik und Astronomie (insg.)
- Allgemeine Physik und Astronomie
- Chemie (insg.)
- Physikalische und Theoretische Chemie
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in: Journal of Chemical Physics, Jahrgang 121, Nr. 8, 22.08.2004, S. 3671-3687.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - Transport coefficients of the Lennard-Jones model fluid
T2 - I. Viscosity
AU - Meier, Karsten
AU - Laesecke, Arno
AU - Kabelac, Stephan
N1 - Copyright: Copyright 2012 Elsevier B.V., All rights reserved.
PY - 2004/8/22
Y1 - 2004/8/22
N2 - The transport coefficients of the Lennard-Jones model fluid were analyzed with high accuracy from equilibrium molecular-dynamics simulations. The generalized Einstein relations were employed to evaluate the transport coefficients, in the frame of time-correlation function theory. The kinetic-kinetic, kinetic-potential and potential-potential viscosity contributions were resolved over the whole range of fluid states. The aspects of the momentum-transport mechanisms on the molecular scale were revealed by an additional analysis of the shear-stress correlation functions.
AB - The transport coefficients of the Lennard-Jones model fluid were analyzed with high accuracy from equilibrium molecular-dynamics simulations. The generalized Einstein relations were employed to evaluate the transport coefficients, in the frame of time-correlation function theory. The kinetic-kinetic, kinetic-potential and potential-potential viscosity contributions were resolved over the whole range of fluid states. The aspects of the momentum-transport mechanisms on the molecular scale were revealed by an additional analysis of the shear-stress correlation functions.
UR - http://www.scopus.com/inward/record.url?scp=4444363480&partnerID=8YFLogxK
U2 - 10.1063/1.1770695
DO - 10.1063/1.1770695
M3 - Article
AN - SCOPUS:4444363480
VL - 121
SP - 3671
EP - 3687
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 8
ER -