高等学校化学学报

高等学校化学学报 ›› 2013, Vol. 34 ›› Issue (8): 1851.doi: 10.7503/cjcu20130244

• 分析化学 • 上一篇    下一篇

基于布朗棘轮的单通道分离体系的模拟研究

陈莉莉1,2, 傅应强1, 赵健伟1, 章文伟2   

  1. 1. 南京大学化学化工学院, 生命分析化学国家重点实验室, 南京 210008;
    2. 南京大学化学化工学院, 配位化学国家重点实验室, 南京 210008
  • 收稿日期:2013-03-18 出版日期:2013-08-10 发布日期:2013-07-19
  • 通讯作者: 赵健伟,男,博士,教授,博士生导师,主要从事分子动力学和随机行走模拟研究.E-mail:zhaojw@nju.edu.cn;章文伟,女,博士,教授,主要从事多孔材料方面的研究.E-mail:wwzhang@nju.edu.cn E-mail:zhaojw@nju.edu.cn;wwzhang@nju.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 21121091, 51071084, 21273113)和国家科技支撑计划项目(批准号: 2012BAF03B05)资助.

Simulation of a Single-channel Separation System Based on Brownian Ratchets

CHEN Li-Li1,2, FU Ying-Qiang1, ZHAO Jian-Wei1, ZHANG Wen-Wei2   

  1. 1. State Key Laboratory of Analytical Chemistry for Life Science, Nanjing University, Nanjing 210008, China;
    2. State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, China
  • Received:2013-03-18 Online:2013-08-10 Published:2013-07-19
  • Contact: ZHAO Jianwei E-mail:zhaojw@nju.edu.cn;wwzhang@nju.edu.cn

PDF (PC)

被引次数

5

摘要：

分子在微尺度受限空间内的扩散行为是微观化学的重要研究领域. 本文利用布朗棘轮效应构建了一种微型单通道分离器件模型, 并基于随机行走理论对其中分子的扩散分离运动进行了模拟研究, 阐明了该体系的分离机理并考察了不同条件对分子扩散分离运动的影响. 模拟结果表明, 通过调节驱动力对各组分粒子的作用周期, 可以控制粒子与分离通道两端势垒发生不同程度的相互作用, 从而在单分离通道内实现粒子向不同方向的有效分离. 同时, 也给出了利用该分离体系进行分离的组分粒子本身的扩散运动与受外力驱动运动的相对大小需满足的条件. 通过调整分离器件的结构参数, 可在实现最佳分离效果的同时节约时间成本. 本文提出的模拟方法对开发微型分离器件及优化操作参数等具有参考意义.

关键词: 布朗棘轮, 扩散, 分离, 随机行走, 模拟

Abstract:

Research on diffusion behaviors in micro-scale confined space is of significant value in micro-chemistry. In this work, we have constructed a model of miniature single-channel separation system, which was made of inversely asymmetric Brownian ratchets, and conducted simulations of molecular diffusion in this system based on random walk theory. The separation mechanism and the influence of different conditions on the diffusion behaviors were discussed based on the simulation results. It was concluded that, interaction between the particle and the Brownian ratchets could be adjusted by the switching time of the external force properly, which enables different particles separated into two different directions in the single-channel system. The applicable conditions of this separation system was provided as well. Furthermore, it was demonstrated that with adjustment of the structural parameters of the separation device, time cost of the separation process could be saved effectively while achieving optimal separation. The simulation method has certain reference significance for the development of micro-separation devices and optimization of the operating parameters.

Key words: Brownian ratchet, Diffusion, Separation, Random walk, Simulation

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