摘要翻译:
根据Flory理想性假设,在致密聚合物体系中,链内和链间排除体积相互作用被认为是相互补偿的。因此,多链效应应该被忽略,聚合物构象可以从简单的幻影链模型来理解。在这里,我们提供了证据,反对这个幻影链,平均场图片。我们从理论和数值上分析了劳斯模的静态相关函数。我们的数值结果是由两个粗粒聚合物模型的计算机模拟得到的,在这两个模型中,单体排斥强度可以从完全排除体积(硬单体)到不排除体积(幻影链)变化。对于非消失的排除体积,我们发现模拟的Rouse模的相关函数与幻影链模型的预测有明显的偏差。这表明在熔体中沿链存在不可忽略的相关关系。这些关联可以用微扰理论来考虑。我们的模拟结果与这些新的理论预测符合得很好。
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英文标题:
《Static Rouse Modes and Related Quantities: Corrections to Chain Ideality
in Polymer Melts》
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作者:
H. Meyer, J.P. Wittmer, T. Kreer, P. Beckrich, A. Johner, J. Farago,
J. Baschnagel
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最新提交年份:
2007
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分类信息:
一级分类:Physics 物理学
二级分类:Soft Condensed Matter 软凝聚态物质
分类描述:Membranes, polymers, liquid crystals, glasses, colloids, granular matter
膜,聚合物,液晶,玻璃,胶体,颗粒物质
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一级分类:Physics 物理学
二级分类:Statistical Mechanics 统计力学
分类描述:Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变,热力学,场论,非平衡现象,重整化群和标度,可积模型,湍流
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英文摘要:
Following the Flory ideality hypothesis intrachain and interchain excluded volume interactions are supposed to compensate each other in dense polymer systems. Multi-chain effects should thus be neglected and polymer conformations may be understood from simple phantom chain models. Here we provide evidence against this phantom chain, mean-field picture. We analyze numerically and theoretically the static correlation function of the Rouse modes. Our numerical results are obtained from computer simulations of two coarse-grained polymer models for which the strength of the monomer repulsion can be varied, from full excluded volume (`hard monomers') to no excluded volume (`phantom chains'). For nonvanishing excluded volume we find the simulated correlation function of the Rouse modes to deviate markedly from the predictions of phantom chain models. This demonstrates that there are nonnegligible correlations along the chains in a melt. These correlations can be taken into account by perturbation theory. Our simulation results are in good agreement with these new theoretical predictions.
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PDF链接:
https://arxiv.org/pdf/712.0606