Non-equilibrium molecular dynamics are used in a coarse-grained scale to simulate the simple shear flow of telechelic and non-telechelic associative polymer solutions. The work includes the study of inception of flow and stress relaxation in transient flows and the constitutive curve at steady state. The instabilities (plateau stress, stress maxima) and the formation of bands with different velocity gradient and concentration depend on the location of the hydrophobic sites (sticker sites, SS) in the chain. Results allow to shed light on the origin of banded flow within the transient state, related to depletion of bridges between aggregates. This situation induces instabilities in the velocity profiles and concentration inhomogeneities along the velocity gradient during the stress overshoot. As the steady state is reached, instabilities disappear for systems where the SS are in the middle of the chain. The conformation relaxation occurs during a time scale larger than that of the stress, but this is not sufficient condition for the presence of banded flow in telechelic polymer solutions, as it holds in polymer melts. The difference in concentration among the bands suggests the existence of a shear-gradient concentration coupling mechanism under banded flow conditions, such as spatial non-homogeneities in the network density, induces chain diffusivity in the gradient direction and increasing normal stresses, especially in telechelic chains. The role of normal stresses on the flow-concentration coupling instability is analyzed in detail.

非平衡分子动力学用于粗粒度规模，以模拟远螯和非远螯缔合聚合物溶液的简单剪切流。这项工作包括研究瞬态流动的开始和应力松弛以及稳态下的本构曲线。不稳定性（平台应力，应力最大值）以及具有不同速度梯度和浓度的谱带的形成取决于疏水位点（粘性位点，SS）。结果允许阐明瞬态中带状流的起源，这与骨料之间的桥的耗尽有关。这种情况在应力过冲期间会引起速度分布的不稳定性和沿速度梯度的浓度不均匀性。随着达到稳态，SS的系统的不稳定性消失了在链的中间。构象松弛发生在比应力大的时间尺度上，但这不是在遥螯聚合物溶液中存在带状流的充分条件，因为它存在于聚合物熔体中。条带间浓度的差异表明，在条带流动条件下存在剪切梯度浓度耦合机制，例如网络密度的空间非均匀性，在梯度方向上引起链扩散和增加法向应力，尤其是在远螯链中。详细分析了正应力对流-固耦合不稳定性的作用。