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.
Original language | English |
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Pages (from-to) | 161-165 |
Number of pages | 5 |
Journal | Fluid Phase Equilibria |
Volume | 358 |
DOIs | |
Publication status | Published - 25 Nov 2013 |
Keywords
- Alkanes
- Mixtures
- Molecular dynamics
- Perfluoroalkanes
- Viscosity
ASJC Scopus subject areas
- General Chemical Engineering
- General Physics and Astronomy
- Physical and Theoretical Chemistry