Radtke Matthias, Netz Roland R
Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany.
Eur Phys J E Soft Matter. 2015 Jun;38(6):69. doi: 10.1140/epje/i2015-15069-4. Epub 2015 Jun 30.
The adsorption of a single collapsed homopolymer onto a planar smooth surface in shear flow is investigated by means of Brownian hydrodynamics simulation. While cohesive intra-polymer forces are modeled by Lennard-Jones potentials, surface-monomer interactions are described by stochastic bonds whose two-state kinetics is characterized by three parameters: bond formation rate, bond dissociation rate and an effective catch bond parameter that describes how the force acting on a surface-monomer bond influences the dissociation rate. We construct adsorption state diagrams as a function of shear rate and all three surface-monomer bond parameters. We find shear-induced adsorption in a small range of parameters for low dissociation and association rates and only when the surface-monomer bond is near the transition between slip and catch bond behavior. By mapping on a simple surface-monomer interaction model with conservative pair potentials we try to estimate the conservative potential parameters necessary to observe shear-induced surface adsorption phenomena.
通过布朗动力学模拟研究了在剪切流中单个塌缩均聚物在平面光滑表面上的吸附。聚合物内聚力由 Lennard-Jones 势建模,表面单体相互作用由随机键描述,其双态动力学由三个参数表征:键形成速率、键解离速率和一个有效捕获键参数,该参数描述作用在表面单体键上的力如何影响解离速率。我们构建了作为剪切速率和所有三个表面单体键参数函数的吸附状态图。我们发现在低解离和缔合速率的小参数范围内,并且仅当表面单体键接近滑移和捕获键行为之间的转变时,才会出现剪切诱导吸附。通过映射到具有保守对势的简单表面单体相互作用模型,我们试图估计观察剪切诱导表面吸附现象所需的保守势参数。