Comparison of the Mesomorphic Behaviour of 1:1 and 1:2 Mixtures of Charged Gay-Berne GB(4.4,20.0,1,1) and Lennard-Jones Particles

作者: Tommaso Margola , Katsuhiko Satoh , Giacomo Saielli

DOI: 10.3390/CRYST8100371

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摘要: We present a Molecular Dynamics study of mixtures charged Gay-Berne (GB) ellipsoids and spherical Lennard-Jones (LJ) particles as models ionic liquids liquid crystals. The GB system is highly anisotropic (GB(4.4,20.0,1,1)) we observe rich mesomorphism, with nematic smectic phases in addition to the isotropic mixed phase crystalline honeycomb structure. systems have been investigated by analyzing orientational translational order parameters, well radial distribution functions. directly compared 1:1 mixtures, where LJ charge equal magnitude opposite sign, 1:2 number twice large their half magnitude. results highlight role long-range electrostatic interaction short-range van der Waals contribution, effect stoichiometry on stability mesophases.

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