TITLE

Note on the number dependence of nonequilibrium molecular dynamics simulations of the viscosity of structured molecules

AUTHOR(S)
Rowley, Richard L.; Ely, James F.
PUB. DATE
March 1992
SOURCE
Journal of Chemical Physics;3/15/1992, Vol. 96 Issue 6, p4814
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Nonequilibrium molecular dynamics simulations have been performed for a system of 512 four-site models representing n-butane molecules. The results are compared to simulations previously reported for 125 molecules to check a recently reported number dependence in such simulations. A small system size dependence was observed at low shear rates, but the rheological behavior is not affected. Considerably greater certainty is obtained using larger systems.
ACCESSION #
7642574

 

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