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Conformational statistics of semiflexible polymers: comparison between different models

机译：半柔性聚合物的构象统计：不同模型之间的比较

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摘要

Recently performed small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS) experiments (Macromolecules 30 (1997) 273) had provided experimental data for measurement of the static scattering formfactor which are in very good agreement with the theoretical results for the formfactor obtained with the help of the Dirac model of semiflexible polymer chains. This agreement had prompted us to make additional detailed comparisons between the observables which can be calculated with help of the Dirac and the Kratky-Porod (K-P) models of semiflexible chains. In this work we provide comparison between the closed form exact analytic results for the Dirac formfactor and various approximations of the static formfactor obtained with help of the K-P model. Remarkable agreement between the exact result and various approximations is thoroughly investigated through systematic classical and semiclassical analysis of the K-P model. We found conditions (approximations) under which the K-P model could be obtained from the Dirac model. This enabled us to calculate the observables related to measurements of optical anisotropy and magnetic birefringence and to reanalyze previously obtained exact analytic results for the force-extension relations based on the Dirac model. (C) 1998 Elsevier Science B.V. All rights reserved. PACS: 36.20.-r; 36.20.Ey. [References: 66]
机译：最近进行的小角中子散射（SANS）和小角X射线散射（SAXS）实验（Macromolecules 30（1997）273）提供了用于测量静态散射形状因数的实验数据，这些数据与理论值非常吻合借助Dirac半柔性聚合物链模型获得的形状因数的结果。该协议促使我们在可观察物之间进行了更多的详细比较，这些可观察物可以借助狄拉克和半挠性链的Kratky-Porod（K-P）模型进行计算。在这项工作中，我们提供了Dirac形状因数的封闭形式精确分析结果与借助K-P模型获得的静态形状因数的各种近似值之间的比较。通过对K-P模型进行系统的经典和半经典分析，彻底研究了精确结果与各种近似值之间的显着一致性。我们发现可以从Dirac模型获得K-P模型的条件（近似值）。这使我们能够计算与光学各向异性和磁双折射测量相关的可观测值，并能够重新分析先前基于Dirac模型获得的力-延伸关系的精确解析结果。 （C）1998 Elsevier Science B.V.保留所有权利。 PACS：36.20.-r; 36.20。 [参考：66]

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