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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Simulation of the collective dynamics scattering of diblock copolymers with heterogeneous composition in the semidilute regime
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Simulation of the collective dynamics scattering of diblock copolymers with heterogeneous composition in the semidilute regime

机译：半稀释状态下具有不同组成的二嵌段共聚物的集体动力学散射模拟

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The dynamic behavior of symmetric diblock copolymer chains in semidilute solution with heterogeneous composition is simulated by means of the bond fluctuation model with repulsive interactions between monomers of different types. We have considered two different lengths at a given concentration close to the order-disorder transition. We have computed the radius of gyration, the translational diffusion coefficient and the first Rouse relaxation time, but most of the analysis is devoted to the results for the collective dynamic scattering functions. As in the simpler case of copolymers without compositional heterogeneity, we can fundamentally distinguish two modes in these functions, but the behavior of the main, slower, mode is clearly altered by heterogeneity. According to the present simulations, this mode reflects the slowest Rouse internal motion together with a purely diffusive heterogeneity contribution. In some cases, the two contributions of the main mode can be separated. However, the retardation of the slower mode in the proximity of the intensity maximum and other subtle features predicted by the random phase approximation theory are not clearly visible in the simulation data from these particular systems. In most cases, we have found a less intense and significantly faster mode, also appearing in previous simulations for which the heterogeneity feature was not included. The discussion also takes into account existing experimental data for diblock copolymer solutions. (c) 2006 Elsevier B.V. All rights reserved.
机译：通过具有不同类型单体之间排斥作用的键波动模型，模拟了具有不同组成的半稀释溶液中对称二嵌段共聚物链的动力学行为。我们已经考虑了在给定浓度下接近无序过渡的两种不同长度。我们已经计算了回转半径，平移扩散系数和第一个Rouse弛豫时间，但是大部分分析都是针对集体动态散射函数的结果。与没有组成不均一性的共聚物的更简单情况一样，我们可以从根本上区分这些功能中的两种模式，但是主要的，较慢的模式的行为显然会因不均一性而改变。根据目前的模拟，此模式反映了最慢的Rouse内部运动以及纯扩散异质性贡献。在某些情况下，主模式的两个贡献可以分开。但是，在这些特定系统的模拟数据中，在最大强度附近的较慢模式的延迟以及由随机相位近似理论预测的其他细微特征无法清楚地看到。在大多数情况下，我们发现强度较低且速度较快的模式也出现在以前的模拟中，其中没有包括异质性功能。讨论还考虑了二嵌段共聚物溶液的现有实验数据。 （c）2006 Elsevier B.V.保留所有权利。

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