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Theory of the orientational ordering for dimers with conformational flexibility

机译：具有构象灵活性的二聚体的取向顺序理论

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In the self-consistent field approximation a theory of the orientational ordering is developed for the melt of dimers containing two mesogenic fragments capable of conformational reorganization. Discrete conformations of the dimers (rotational isomers) are characterized by the values of valence angles. Both three-dimensional and two-dimensional melts are considered. It is shown that the presence of bent isomers in the melt reduces the temperature of the phase transition to the anisotropic phase. For a three-dimensional system with first-order phase transition to the ordered state, the jump of the order parameter at the transition point for dimers with conformational flexibility appears to be greater than for rigid dimers. For dimers with two isomers (a linear and a bent one) the order parameter and the statistical weight of the linear isomer at the transition point depend nonmonotonously on the statistical weight of this isomer in the isotropic phase. The effect of "supercooling" of the isotropic phase for linear conformations of flexible dimers is discussed.
机译：在自洽场近似中，针对包含两个能够构象重组的介晶片段的二聚体的熔体发展了取向有序理论。二价体（旋转异构体）的离散构象由化合价的值表征。同时考虑了三维熔体和二维熔体。结果表明，熔体中弯曲异构体的存在降低了向各向异性相转变的温度。对于具有一阶相变到有序状态的三维系统，具有构象柔韧性的二聚体在过渡点的阶跃参数跳变似乎大于刚性二聚体。对于具有两种异构体（线性和弯曲异构体）的二聚体，阶跃参数和线性异构体在过渡点的统计重量非单调地取决于各向同性相中该异构体的统计重量。讨论了各向同性相的“过冷”对柔性二聚体线性构象的影响。

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