Abstract
We perform Monte Carlo simulations of a mixture of soft ellipsoids with embedded quadrupoles as a model of various small molecules dissolved in nematic liquid crystals. We find that Gay–Berne ellipsoids with distributed embedded quadrupoles qualitatively reproduce the trend in the order parameters observed experimentally in NMR spectra. In contrast, ellipsoids with a single embedded quadrupole cannot reproduce the negative order parameter of acetylene in EBBA.
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