Molecular dynamical calculations of the viscosity of Lennard-Jones systems
โ Scribed by J.P.J. Michels; N.J. Trappeniers
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 513 KB
- Volume
- 133
- Category
- Article
- ISSN
- 0378-4371
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โฆ Synopsis
Systematic investigations of the viscosity coefficient of gases have been performed in the subcritical density region, using molecular dynamics. The model systems consisted of Lennard-Jones particles and of particles with a variant of the Lennard-Jones intermolecular potential. A comparison is made with square-well and hard sphere systems. The results reveal a striking influence of details of the potential on the results for the transport coefficient.
๐ SIMILAR VOLUMES
Molecular dynamics simulation is used IO smdy syslemalically the dependence of atomic self-diffusion in a thin iilm Lennard-Jones system on temperature. densizy. and ihe film thickness. Known (three-dimensional) bulk behavior is reproduced for a film only 5-I layers thick. The Lime needed lor dillLs
An MD simulJtlon of 216 ST? water n~oIccules between 12-6 Lennard-Jones \wlls has been performed which extend OI:Y 20 ps at an ;~\er+x temperature of 287 I;. The oxygen atom density profile is reported and the influence of the walls on the orientation of the ester molecules and on the sclfdiffusion