Comparison between molecular dynamics simulations and the Smoluchowski theory of reactions in a hard-sphere liquid
β Scribed by Zhou, Huan-Xiang; Szabo, Attila
- Book ID
- 120512656
- Publisher
- American Institute of Physics
- Year
- 1991
- Tongue
- English
- Weight
- 655 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.461616
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π SIMILAR VOLUMES
We discuss the application of a recently proposed thermodynamically self-consistent integral equation, the variational modified hypernetted chain (VMHNC) approximation, to the study of the structural properties of liquid metals. We show a comparison between the structure of the liquid alkali metals,
Normal shpck.proflles~in a d~ hard sphere gas are obtained by solving numerically the Enslcog kinetic equation. The res'ults 6~the Enskog theory are compared with "exact" shock profiles obtained from molecular dynamics symulations. It is shown that, at least in the range of the flow pexameters exami