Quantitive theory for dynamics of entangled Polymer melts

详细了解缠绕聚合物熔体的结构和性质对聚合物材料在工业上的成功应用至关重要。在过去的30年里，聚合物动力学的大部分理论工作都集中在试图改进de Gennes， Doi和Edwards的管理论。在研究项目中，我提出了一种纠缠聚合物熔体和浓缩溶液的自相容管理论。该理论应结合除重复外的所有已知过程，如轮廓长度波动、约束释放、应力松弛的纵向模式，并避免迄今为止使用的粗糙数学近似。我建议使用一种将期望方程的解析推导与相同方程的直接随机模拟相结合的方法。随机解将提供近似的有效区域，并允许计算未知的前因子。该方法首次应用于对流约束释放理论，并给出了聚合物熔体快速流动的流变和散射特性的详细预测。在研究计划中，我描述了使用这种组合方法获得线性和支化聚合物熔体的线性和非线性流变特性的方法。

The detailed understanding of the structure and properties of entangled polymer melt is crucial for successful usage of polymer materials in industry. During last 30 years most of the theoretical efforts in polymer dynamics was concentrated on the attempts to improve the tube theory of de Gennes, Doi and Edwards. In the research project I propose to develop a self-consistent tube theory of entangled polymer melts and concentrated solutions. This theory should combine all known processes additional to reptation, e.g. contour length fluctuations, constraint release, longitudinal modes of the stress relaxation and avoid the crude mathematical approximations used until now. I propose to use a method which combines analytical derivations of desired equations with direct stochastic simulations of the same equations. Stochastic solutions will provide the validity regions of the approximations and allow the calculation of unknown prefactors. This method was first applied to the theory of convective constraint release and gave detailed predictions of rheological and scattering properties of the fast flows of polymer melts. In the research proposal I describe the methods of obtaining linear and nonlinear rheological properties of linear and branched polymer melts using this combined approach.