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- W2079368387 abstract "Mixtures of room temperature ionic liquids (IL) with neutral organic molecules provide a valuable testing ground to investigate the interplay of the ionic and molecular-dipolar state in dense Coulomb systems at near ambient conditions. In the present study, the viscosity η and the ionic conductivity σ of 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6])/naphthalene mixtures at T = 80 °C have been measured at 10 stoichiometries spanning the composition range from pure naphthalene to pure [bmim][PF6]. The viscosity grows nearly monotonically with increasing IL mole fraction (x), whereas the conductivity per ion displays a clear peak at x ≈ 15%. The origin of this maximum has been investigated using molecular dynamics simulations based on a classical force field. Snapshots of the simulated samples show that the conductivity maximum is due to the gradual transition in the IL component from an ionic state at high x to a dipolar fluid made of neutral ion pairs at low x. At concentrations x < 0.20 the ion pairs condense into molecular-thin filaments bound by dipolar forces and extending in between nanometric droplets of IL. These results are confirmed and complemented by the computation of dynamic and transport properties in [bmim][PF6]/naphthalene mixtures at low IL concentration." @default.
- W2079368387 created "2016-06-24" @default.
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- W2079368387 date "2008-05-08" @default.
- W2079368387 modified "2023-10-16" @default.
- W2079368387 title "Ion Association in [bmim][PF<sub>6</sub>]/Naphthalene Mixtures: An Experimental and Computational Study" @default.
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- W2079368387 doi "https://doi.org/10.1021/ja710841n" @default.
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