Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
203268 | Fluid Phase Equilibria | 2013 | 5 Pages |
Abstract
The viscosity of (hexane + perfluorohexane) mixtures has been measured at 298 K, 303 K and 308 K, over the whole composition range. The results show large negative deviations from the arithmetic mean of the viscosities of the pure components, reaching −17% at x(perfluorohexane) = 0.7. To obtain molecular level insight into the behaviour of the system, all-atom molecular dynamics simulations have been performed and used to calculate the viscosities, radial distribution functions, and rotational relaxation times of the studied (hexane + perfluorohexane) mixtures. This is the first effort to assess the effect of mixing hydrogenated and fluorinated molecules in the viscosity.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Pedro Morgado, Jana Black, J. Ben Lewis, Christopher R. Iacovella, Clare McCabe, Luís F.G. Martins, Eduardo J.M. Filipe,