论文标题
剪切流下的稀聚合物溶液：使用纤维弹簧链模型的综合定性分析，带有Fene-Fene-fraenkel Spring
Dilute polymer solutions under shear flow: comprehensive qualitative analysis using a bead-spring chain model with a FENE-Fraenkel spring
论文作者
论文摘要
尽管通常对聚合物溶液的非平衡行为进行了充分的了解，尤其是在延伸流中，但在简单的剪切流中仍存在一些未解决的问题，用于稀释溶液，并且尚未达到与实验的完全定量一致性。例如，实验粘度数据表现出剪切粉状指数的质量差异，剪切粉发作的剪切速率以及高剪切牛顿高原，具体取决于聚合物的半场性，轮廓长度和溶剂溶解度。尽管聚合物模型能够通过各种弹簧力定律结合所有这些效应，但弯曲电位，排除体积（EV）势和流体动力相互作用（HI），但每种物理学的包含尚未系统地匹配到实验观察到的行为。此外，尝试开发多尺度模型（在表示任意的小或大型聚合物链的意义上）可以做出定量预测的阻碍，因为缺乏能力完全匹配珠rod模型的结果，通常用来代表Kuhn级别的聚合物链，并在kuhn台阶上与孔的启动模型相关，这些模型基于这些难度，这些模型构成了这些困难。所谓的Fene-fraenkel Spring，最初由拉尔森和同事制定[J.化学物理。 124（2006），10.1063/1.2161210]，可以跨越从刚性杆到传统熵弹簧的范围，还包括弯曲电势，EV和HI。如我们所示，该模型可以在剪切流中的广泛观察到的聚合物溶液流变性之间复制并平稳地移动。
Although the non-equilibrium behaviour of polymer solutions is generally well understood, particularly in extensional flow, there remain several unanswered questions for dilute solutions in simple shear flow, and full quantitative agreement with experiments has not been achieved. For example, experimental viscosity data exhibit qualitative differences in shear-thinning exponents, shear rate for onset of shear-thinning and high-shear Newtonian plateaus depending on polymer semiflexibility, contour length and solvent quality. While polymer models are able to incorporate all of these effects through various spring force laws, bending potentials, excluded volume (EV) potentials, and hydrodynamic interaction (HI), the inclusion of each piece of physics has not been systematically matched to experimentally observed behaviour. Furthermore, attempts to develop multiscale models (in the sense of representing an arbitrarily small or large polymer chain) which can make quantitative predictions are hindered by the lack of ability to fully match the results of bead-rod models, often used to represent a polymer chain at the Kuhn step level, with bead-spring models, which take into account the entropic elasticity.In light of these difficulties, this work aims to develop a general model based on the so-called FENE-Fraenkel spring, originally formulated by Larson and coworkers [J. Chem. Phys. 124 (2006), 10.1063/1.2161210], which can span the range from rigid rod to traditional entropic spring, as well as include a bending potential, EV and HI. As we show, this model can reproduce, and smoothly move between, a wide range of previously observed polymer solution rheology in shear flow.
