聚电解质经纳米管道输运的动力学性质

项目名称： 聚电解质经纳米管道输运的动力学性质

项目编号： No.20874088

项目类型： 面上项目

立项/批准年度： 2009

项目学科： 交通运输

项目作者： 罗孟波

作者单位： 浙江大学

项目金额： 30万元

中文摘要： 分子动力学方法模拟聚电解质在电场力作用下经纳米管道输运的动力学过程,分析链的流速与电场、温度之间的标度关系，给出链在纳米管道中低速输运的规律。利用标度关系计算链输运的自由能势垒，研究自由能势垒与链长和管道高度之间的关系，得到这些因素之间的相互关系，揭示它们影响链输运的机理。分析链构象变化规律，揭示微观的构象性质与宏观的流动性质之间的关联性，解释模拟结果和实验结果。研究高分子链之间的相互作用和链与管道的相互作用对高分子链输运的影响，分析实现链定向运动的可能条件，获得控制链输运的方法。研究两种链长的混合系统的输运规律，寻找提高链分离速度的方法。研究成果有助于研究蛋白质、糖通过生物膜，RNA透过核膜等生命过程，有助于研究DNA的快速分离和检测，对凝聚态物理的基础理论研究及生物技术的研究有重要的意义。

中文关键词： 聚电解质；输运；纳米管道；标度；模拟

英文摘要： Molecular dynamic method is adopted to simulate the dynamic process of polyelectrolyte chains transporting through nano channel under electric field. We will analyze the scaling relation for the transport rate on field and temperature, in order to reveal the law of transport. Free energy barrier can be obtained with the scaling relation. By studying the influence of chain length and size of channel on the free energy, one can possibly unravel the mechanism and law of the transportation of polyelectrolyte. By analyzing the variation of spatial configuration of polyelectrolyte chain during the transport, it is planed to set up an intrinsic relationship between the variation of spatial configuration and transport law and to explain some simulation and experiment results. The effect of the interactions between polyelectrolyte segments and between polyelectrolyte and channel on the transport will be also investigated, in hope to obtain a method to control polyelectrolyte transport. At last, we will study the transport law of a multi- polyelectrolyte system with two chain lengths to search an effective method to improve and control separation velocity of polyelectrolyte. The results will be helpful in studying many bio-processes in life being, such as the transport of protein and sugar through bio-membrane, and that of RNA through nucleus membrane. They also help to promote studies on fast separation and detection of DNA. The project is also important in the basic theory of condensed matter physics as well as in investigation of bio-technology.

英文关键词： Polyelectrolyte; Transport; Nano channel; Scaling; Simulation