Determination of the pressure-viscosity coefficient of decane by molecular simulation

Christopher J. Mundy, Michael L. Klein, Ilja Siepmann

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)16779-16781
Number of pages3
JournalJournal of Physical Chemistry
Volume100
Issue number42
DOIs
StatePublished - Jan 1 1996

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