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.
- Molecular dynamics
ASJC Scopus subject areas
- Chemical Engineering(all)
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry