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首页> 外文期刊>Physica, B. Condensed Matter >Modelling of segmental dynamics in pollymer electrolyte PPO-LiClO_4, by surface fitting of quasi-elastic neutron scattering data
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Modelling of segmental dynamics in pollymer electrolyte PPO-LiClO_4, by surface fitting of quasi-elastic neutron scattering data

机译：通过准弹性中子散射数据的表面拟合模拟花粉聚合物电解质PPO-LiClO_4的分段动力学

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摘要

The structural dynamics of an amorphous model polymer electrolyte, poly(propylene oxide) (PPO) complexed with lithium perchlorate (LiClO_4), has been investigated using quasi-elastic neutron scattering (QENS). Pure PPO was investigated for reference. A combination of data from several analyser reflections, has enabled an investigation of a (Fourier) time range, wide enough to encompass parts of the segmental relaxation as well as the methyl group motion. The two processes have been identified and investigated by a simultaneous surface fit of the data from all the detectors and resolutions to a model where the segmental motion is represented by a stretched exponential relaxation function with relaxation times proportional to Q~(-v), and the methyl group motion is represented by the three-fold jump rotation model. The dynamics of the pure polymer is well described by the model, using fitting parameters which are in good agreement with literature data, and we conclude that the surface fitting approach is a successful method for analysing the data. The results for the salt-containing polymer show that the segmental relaxation is strongly slowed down and more stretched, whereas no significant change was seen for the methyl group motion. The adequacy of the model in this case cannot be fully evaluated due to the still limited data on the segmental relaxation.
机译：使用准弹性中子散射（QENS）研究了与高氯酸锂（LiClO_4）络合的非晶模型聚合物电解质聚环氧丙烷（PPO）的结构动力学。对纯PPO进行了研究，以供参考。来自多个分析仪反射的数据组合使得能够研究（傅立叶）时间范围，该时间范围足够宽，可以涵盖部分段弛豫以及甲基运动。通过将来自所有检测器的数据和分辨率同时拟合到模型中，来识别和研究这两个过程，在该模型中，分段运动由拉伸指数松弛函数表示，松弛时间与Q〜（-v）成比例，并且甲基运动由三重跳跃旋转模型表示。该模型使用与文献数据非常吻合的拟合参数很好地描述了纯聚合物的动力学，并且我们得出结论，表面拟合方法是一种成功的数据分析方法。含盐聚合物的结果表明，节段的松弛被大大减慢并且被拉伸得更多，而对于甲基运动则没有观察到明显的变化。在这种情况下，由于关于段松弛的数据仍然有限，无法完全评估模型的充分性。

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