Bewegung und Konformationseigenschaften elektrisch geladener Polymerketten in Lösung unter Einwirkung eines äußeren Feldes

我们将利用计算机模拟和理论模型研究在外加电场的影响下，自由溶液和受限环境中带电线性聚合物的构象性质、聚合物离子相互作用和聚合物迁移率之间的关系。我们将考虑多体问题，考虑电解液-缓冲液(强电荷聚电解质链、反离子和盐离子)的基本方面，包括流体动力学效应。作为驱动的复杂系统的结果，链在迁移过程中可能变形，链段取向的分布可能偏离平衡态。将使用分析模型和模拟来深入了解聚电解质的构象相关运动。我们将研究各种电场模式，包括微流控设备中通常使用的高场强，并用已公布的关于DNA等模型聚电解质的数据进行电学和光学测量，以证实我们的结果。此外，我们将考虑约束几何的影响，包括带电表面的影响。这些结果有望在当今的芯片实验室电泳法系统中发挥作用。

We are going to investigate the relation between conformational properties, polymer ion interactions and polymer mobility of charged linear polymers under the influence of an applied field in free solution and in confining environments using computer simulations and theoretical models. We will consider the many-body problem taking into account the essential aspects of electrolytebuffer- solution (strongly charged polyelectrolyte-chain, counter-ions and salt ions) including hydrodynamic effects. As a result of the driven, complex system the chain could deform during migration and the distribution of the segments orientation can deviate from the equilibrium state. Analytical models and simulations will be used to gain insight into the conformation-dependent motion of the polyelectrolytes. We will investigate various electric fields regimes, including high fields which are normally used in microfluidic devices, and corroborate our results with both electrical and optical measurements available from published data on model polyelectrolytes, such as DNA. Furthermore, we will consider the effect of constrained geometries including the effect of charged surfaces. These results are expected to be of relevance in present-day lab-on-a-chip electrophoretic systems.