Liquid argon in a cylindrical carbon pore: molecular dynamics and born-green-yvon results
✍ Scribed by Uwe Heinbuch; Johann Fischer
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 351 KB
- Volume
- 135
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
We consider a model of liquid argon in a pore formed by smearing out carbon atoms on concentric cylindrical surfaces. Some details of a molecular dynamics simulation on a vector computer are given. Our model involves strong wall forces and cylindrical geometry. The resulting local density profiles for two different pores are shown and compared with results using the coarse-grained Born-Green-Yvon equation. The latter are in good agreement with the simulations, even though the layering is slightly stronger in the first layer and slightly weaker in the others. * Of special interest to our subject is ref.
[ 41.