Determination of the Pressure−Viscosity Coefficient of Decane by Molecular Simulation
The shear viscosities of n-decane and 4-propylheptane have been calculated over a range of densities. Equilibrium molecular dynamics simulations were carried out in the canonical ensemble for an empirical force field using the united-atom representation. Quantitative agreement is obtained with the e...
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| Veröffentlicht in: | Journal of physical chemistry (1952) 1996-10, Vol.100 (42), p.16779-16781 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | The shear viscosities of n-decane and 4-propylheptane have been calculated over a range of densities. Equilibrium molecular dynamics simulations were carried out in the canonical ensemble for an empirical force field using the united-atom representation. Quantitative agreement is obtained with the experimental shear viscosities and the pressure−viscosity coefficient. |
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| ISSN: | 0022-3654 1541-5740 |
| DOI: | 10.1021/jp9619191 |