Viscosity of liquid systems involving hydrogenated and fluorinated substances: ...

• Author(s): Morgado, Pedro ; Black, Jana ; Lewis, J. Ben ; Iacovells, Christopher R. ; McCabe, Clare ; Martins, Luís F. G. ; Filipe, Eduardo J. M.
• Date: 2013
• Persistent ID: http://hdl.handle.net/10174/9026
• Origin: Repositório Científico da Universidade de Évora
• Subject(s): viscosity; perfluorohexane; hexane
• Document Type: Article
• Language: English

Description

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.