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

外场影响下溶液中带电聚合物链的运动和构象特性

• 批准号: 84109192
• 负责人: Professor Dr. Jens-Uwe Sommer
• 金额: --
• 依托单位: Leibniz-Institut für Polymerforschung Dresden (IPF)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2008
• 资助国家: 德国
• 起止时间: 2007-12-31 至 2012-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/84109192?language=en
• 关键词: Bewegung; und; Konformationseigenschaften; elektrisch; geladener

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.

我们将利用计算机模拟和理论模型研究带电线性聚合物在自由溶液和封闭环境中的构象性质、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，同时考虑电解质缓冲溶液（强带电聚电解质链，抗衡离子和盐离子）的基本方面，包括流体动力学效应。由于受驱动的复杂系统，链在迁移过程中会发生变形，链段取向的分布会偏离平衡状态。分析模型和模拟将被用来深入了解的构象依赖运动的聚电解质。我们将研究各种电场制度，包括高场通常用于微流体装置，并证实我们的结果与电气和光学测量模型聚电解质，如DNA的已发表数据。此外，我们将考虑约束几何的影响，包括带电表面的影响。这些结果预计将在目前的芯片实验室电泳系统的相关性。

项目成果

GPU implementations of the bond fluctuation model

• DOI: 10.1016/j.jcp.2011.12.021
• 发表时间: 2012-04
• 期刊: J. Comput. Phys.
• 作者: S. Nedelcu;M. Werner;M. Lang;J. Sommer