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首页> 外文期刊>The Journal of Chemical Physics >Adsorption of single polymer molecules in shear flow near a planar wall
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Adsorption of single polymer molecules in shear flow near a planar wall

机译:单一聚合物分子在平面壁附近的剪切流中的吸附

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Adsorption of homopolymers from a dilute solution to a planar wall in the presence of shear flow is studied using a bead-spring dumbbell model. The bead-bead and bead-wall interactions are described by generalized Lennard-Jones potentials. A kinetic theory incorporating bead-wall hydrodynamic interaction is developed in order to obtain an analytical expression for the steady-state dumbbell concentration profile. The concentration profile exhibits an exclusion zone in the immediate vicinity of the wall, is followed by a peak, and finally approaches the bulk concentration far away from the wall. Using the analytical expression, the amount adsorbed and the equivalent film thickness are studied as a function of flow strength and the parameters characterizing the bead-wall interaction potential. Shear flow causes migration of the dumbbells due to bead-wall hydrodynamic interaction, which leads to desorption. On increasing the flow strength, the quantity adsorbed and the film thickness decrease until complete desorption occurs. The dependence of the flow strength required for desorption on the model parameters is also studied and a scaling law is derived for the strong-interaction limit. Brownian dynamics simulations are performed to verify the predictions from the kinetic theory. Although the theory makes a number of simplifying assumptions, it captures many of the key features seen in the simulations.
机译:使用珠簧哑铃模型研究了在剪切流存在下均聚物从稀溶液到平面壁的吸附。珠-珠和珠-壁相互作用由广义的Lennard-Jones势描述。为了获得稳态哑铃浓度曲线的解析表达式,开发了一种结合了珠壁流体动力学相互作用的动力学理论。浓度曲线在壁的附近显示出一个禁区,随后是一个峰值,最后到达远离壁的总浓度。使用解析表达式,研究了吸附量和等效膜厚与流动强度以及表征珠-壁相互作用势的参数的关系。剪切流由于珠壁与壁之间的流体动力相互作用而导致哑铃迁移,从而导致解吸。随着流动强度的增加,吸附量和膜厚度减小,直到发生完全脱附。还研究了解吸所需的流动强度对模型参数的依赖性,并得出了强相互作用极限的比例定律。进行布朗动力学模拟以验证动力学理论的预测。尽管该理论做出了许多简化的假设,但它涵盖了仿真中看到的许多关键特征。

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