Static
and Transport Properties of Alkyltrimethylammonium Cation-Based Room-Temperature
Ionic Liquids
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Abstract
We have measured physicochemical
properties of five alkyltrimethylammonium cation-based room-temperature
ionic liquids and compared them with those obtained from computational
methods. We have found that static properties (density and refractive
index) and transport properties (ionic conductivity, self-diffusion
coefficient, and viscosity) of these ionic liquids show close relations
with the length of the alkyl chain. In particular, static properties
obtained by experimental methods exhibit a trend complementary to
that by computational methods (refractive index ∝ [polarizability/molar
volume]). Moreover, the self-diffusion coefficient obtained by molecular
dynamics (MD) simulation was consistent with the data obtained by
the pulsed-gradient spin–echo nuclear magnetic resonance technique,
which suggests that computational methods can be supplemental tools
to predict physicochemical properties of room-temperature ionic liquids