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Phase behavior of ionic liquid crystals

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 Added by Ludger Harnau
 Publication date 2010
  fields Physics
and research's language is English




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Bulk properties of ionic liquid crystals are investigated using density functional theory. The liquid crystal molecules are represented by ellipsoidal particles with charges located in their center or at their tails. Attractive interactions are taken into account in terms of the Gay-Berne pair potential. Rich phase diagrams involving vapor, isotropic and nematic liquid, as well as smectic phases are found. The dependence of the phase behavior on various parameters such as the length of the particles and the location of charges on the particles is studied.



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Previous theoretical studies of calamitic (i.e., rod-like) ionic liquid crystals (ILCs) based on an effective one-species model led to indications of a novel smectic-A phase with a layer spacing being much larger than the length of the mesogenic (i.e., liquid-crystal forming) ions. In order to rule out the possibility that this wide smectic-A phase is merely an artifact caused by the one-species approximation, we investigate an extension which accounts explicitly for cations and anions in ILCs. Our present findings, obtained by grand canonical Monte Carlo simulations, show that the phase transitions between the isotropic and the smectic-A phases of the cation-anion system are in qualitative agreement with the effective one-species model used in the preceding studies. In particular, for ILCs with mesogenes (i.e., liquid-crystal forming species) carrying charged sites at their tips, the wide smectic-A phase forms, at low temperatures and within an intermediate density range, in between the isotropic and a hexagonal crystal phase. We find that in the ordinary smectic-A phase the spatial distribution of the counterions of the mesogens is approximately uniform, whereas in the wide smectic-A phase the small counterions accumulate in between the smectic layers. Due to this phenomenology the wide smectic-A phase could be interesting for applications which hinge on the presence of conductivity channels for mobile ions.
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