高分子链塌缩与流场驱动高分子链迁移穿过微通道过程的耗散粒子动力学模拟.pdfVIP

摘要 τ 同时，我们的模拟结果还统计了高分子链穿过微通道所需的时间 与链长N ，流 1 τ N 量J 和高分子链刚性 的关系。结果发现，当高分子链较长时， 与链长 呈 λ P 1 τ 线性关系，且随着流量增大而逐渐变短；而 越大，刚性越强， 越短。 λ P 关键词：耗散粒子动力学,淬火, “无规线团-塌缩小球”转变,流场驱动,高分子 链迁移 II Abstract Abstract The equilibrium properties and dynamics behaviors of polymers in dilute solution undergo various responses to different external changes. In recent decades of years, the extensive investigation in this area is primarily motivated by the intense current interest in the biophysics problems, e.g. protein folding; transport of protein or single-strand DNA through membrane channels. Besides, understanding the fundamental process of these phenomenons has a broad range of potential applications in Biological Engineering, Chemical Engineering and so on. For example, it helps diagnosing some diseases which are caused by mis-folding of related proteins; or it helps rapid DNA sequencing induced by an electric field. In this article, we use Dissipative Particle Dynamics method to investigate “coil-globule” transition and flow induced polymer translocation through microchannels. First, we investigate the dynamics behavior of “coil-globule” transition. Single polymer in solution collapses when solvent i