单锥形纳米孔的制备和离子传导特性研究

用荷能重离子径迹刻蚀的方法在高分子多聚物膜 (PET) 上制备出单锥形纳米孔. 刻蚀过程通过监测跨膜电流来控制, 最大刻蚀电流I_max不同, 得到的锥形孔小孔孔径也不同. 研究单锥形纳米孔在KCl 溶液中的I-V曲线发现, 单锥形纳米孔的离子传导呈现出不对称特性, 该现象称为整流效应, 整流系数γ大小随纳米小孔孔径大小和电解质溶液浓度而变化. 关键词： 径迹刻蚀 纳米孔 离子传导 整流系数     

微扩张管道内幂律流体非定常电渗流动

研究了电渗驱动下幂律流体在有限长微扩张管道内非稳态流动特性.基于Ostwald-de Wael幂律模型,采用高精度紧致差分离散二维Poisson-Nernst-Planck方程及修正的Cauchy动量方程,数值模拟了初始及稳态时刻微扩张管道内幂律流体电渗流流场分布情况,研究了管道截面改变对幂律流体无量纲剪切应变率及无量纲表观黏度的影响,以及无量纲表观黏度对拟塑性流体与胀流型流体流速分布的影响.数值模拟结果显示,当扩张角和无量纲电动宽度一定时,电场驱动下的幂律流体在近壁区域速度响应都很快;初始时刻,近壁处表观黏度的变化受到剪切应变率变化的影响,从而影响了三种幂律流体速度峰值的分布,出现拟塑性流体流速在扩张段上游及扩张段近壁处速度峰值均为幂律流体中最大、而在扩张段下游三种幂律流体速度峰值相近的现象;稳态时刻,幂律流体速度剖面呈现塞型分布,且满足连续性条件下,幂律流体流速随扩张管半径增大而减小,牛顿流体流动规律与宏观尺度下流动规律相同;初始时刻,在相同电动宽度、不同壁面电势作用下,幂律流体在扩张管近壁处剪切应变率分布的差异导致表观黏度分布的差异,并最终导致拟塑性流体与胀流型流体流速分布的差异.     

异性纳米通道中NaCl水溶液电渗输运特性

采用分子动力学方法模拟了电场驱动下纳米通道中NaCl水溶液的电渗输运特性,壁面为无电荷和带有负电荷两种情况,统计了速度、密度、黏度和热传导系数的分布规律.在壁面电荷作用下,Na+被壁面吸附,Cl-聚集在通道中央;Na+与水分子朝电场负方向、Cl-朝电场正方向运动;Na+、Cl-呈电渗流动,水分子则较为复杂,呈电渗流和被...     

微平行管道内Eyring流体的电渗滑移流动

研究了微平行管道内非牛顿流体––Eyring 流体在外加电场力和压力作用下的电渗流动. 在考虑微尺度效应, 电场作用, 非牛顿特性, 滑移边界等情况下, 建立Eyring流体在微平行管道内电渗流动的力学模型. 通过解线性Possion-Boltzmann方程和Cauchy动量方程, 给出Eyring 流体速度分布的精确解和近似解析解, 并探讨了上述因素对电渗流动的影响. 将电场力和压力对于Eyring流体电渗流动的速度分布的影响进行了比较分析, 得到有意义的结果.     

纳米流体液滴内的光驱流动实验及其解析解

在光透过性的流体介质中添加具有高光响应特性的纳米颗粒,可以形成光驱动纳米流体,实现对光能的高效利用.本文针对光驱纳米流体流动行为开展实验观察和理论分析研究,这是实现光驱纳米流动精确调控的理论基础.首先利用粒子图像测速技术对液滴中直径为300 nm的Fe3O4颗粒在不同光源照射下受Marangoni效应诱导的运动进行了实验观测,研究光能向动能的高效转化机制.实验结果表明,当颗粒浓度大于临界数密度时,可诱导出垂向具有对称结构的涡,在液滴底部颗粒由四周向中心运动,顶部则由中心向四周运动,光源频率和颗粒数密度是这一过程的主导因素.随后,针对光强高斯分布的紫外光驱动下大颗粒数密度、特征流速约mm/s的光驱纳米流体,通过Stokes方程和表面张力梯度边界条件实现了其流场分布的解析求解,理论获得的流场分布解析解与实验测量结果保持一致,证实定量理论分析的有效性.最后,讨论了引入表面张力与在液滴底部引入表面压力及体相中集中引入光辐射力的不同驱动模式之间的相关性.这一研究成果为光微流控系统中流动行为的精确调控及光能的高效转化等提供了理论支持.     

变截面微管道中高zeta势下幂律流体的旋转电渗滑移流动

本文研究高zeta势下具有Navier滑移边界条件的幂律流体,在变截面微管道中的垂向磁场作用下的旋转电渗流动.在不使用Debye–Hückel线性近似条件时,利用有限差分法数值计算外加磁场的旋转电渗流的电势分布和速度分布.当行为指数n=1时得到的流体为牛顿流体,将本文的分析结果与Debye–Hückel线性近似所得解析近似解作比较,证明本文数值方法的可行性.除此之外,还详细讨论行为指数n、哈特曼数Ha、旋转角速度?、电动宽度K及滑移参数β对速度分布的影响,得到当哈特曼数Ha>1时,速度随着哈特曼数Ha的增加而减小;但当哈特曼数Ha <1时, x方向速度u的大小随着Ha的增加而增加.     

离子浓度及表面结构对岩石孔隙内水流动特性的影响

酸性环境引发的岩石孔隙表面溶解增加了孔隙内水溶液的盐离子浓度,破坏了孔隙的表面结构.本文采用分子动力学模拟的方法研究了纳米级岩石孔隙内水溶液的流动特性,分析了盐离子浓度和孔隙表面结构对水流速度分布的影响及原因.研究结果表明:纳米级岩石孔隙内的水溶液流动符合泊肃叶流动特性,流速呈"抛物线"分布;随盐离子浓度增加,水溶液内部氢键网络变得更为致密,水黏度随其呈线性增长;水溶液中离子浓度越大,孔隙表面对水流动的阻力越大,最大流速越小,速度分布的"抛物线"曲率半径越大;岩石孔隙表面结构的破坏改变了流动表面的粗糙程度,增加了孔隙表面对H2O分子的吸引力.随表面结构破坏程度的增大,水溶液在近壁区域的密度增大,流速降低;当表面破坏程度达到50%时,水溶液在近壁区域出现了明显的负边界滑移现象.     

纳米通道滑移流动的分子动力学模拟研究

本文采用非平衡分子动力学方法对平板纳米通道滑移流动进行了非平衡分子动力学模拟,获得了不同壁面势能和不同温度时流体的速度分布及密度分布。研究结果表明滑移速度在很大程度上决定于流体温度和壁面吸引力作用强度的大小。由于不同壁面吸引力时流体的密度分布受温度的影响规律不同,使得不同壁面吸引力时流体的滑移速度受温度影响规律也不一致。而且,流体结构受壁面流速的影响要受到壁面势能的制约。     

非对称纳米通道内流体流动与传热的分子动力学

采用分子动力学方法研究了流体在非对称浸润性粗糙纳米通道内的流动与传热过程,分析了两侧壁面浸润性不对称对流体速度滑移和温度阶跃的影响,以及非对称浸润性组合对流体内部热量传递的影响.研究结果表明,纳米通道主流区域的流体速度在外力作用下呈抛物线分布,但是纳米通道上下壁面浸润性不对称导致速度分布不呈中心对称,同时通道壁面的纳米结构也会限制流体的流动.流体在流动过程中产生黏性耗散,使流体温度升高.增强冷壁面的疏水性对近热壁面区域的流体速度几乎没有影响,滑移速度和滑移长度基本不变,始终为锁定边界,但是会导致近冷壁面区域的流体速度逐渐增大,对应的滑移速度和滑移长度随之增大.此时,近冷壁面区域的流体温度逐渐超过近热壁面区域的流体温度,流体出现反转温度分布,流体内部热流逆向传递.随着两侧壁面浸润性不对称程度增加,流体反转温度分布更加明显.     

激光多普勒测速及其应用

测量气体和流体速度的传统方法是采用毕脱管或热线风速仪,其做法是在被测速度场中放置一个传感器,然后将它感受到的与速度有关的信号送到二次仪表进行处理,得到速度的信息.然而,在流场中放置一个物体,其本身就意味着要干扰流场,从而影响测量精度,而且这些方法在测量狭小流场如附面层、射流元件等方面就无能为力,它不可能测量比传感器的体积还要小的流速场速度分布. 近年来发展了一种新型的测速技术,无需接触被测流体,只要让几束细光束穿过流动的气体或液体,就能测出流体的流动速度,这就是激光多普勒测速技术. 六十年代中期,Yen和Cummins[1]…     

Poisson-Fokker-Planck model for biomolecules translocation through nanopore driven by electroosmotic flow

A non-continuous electroosmotic flow model (PFP model) is built based on Poisson equation, Fokker-Planck equation and Navier-Stokse equation, and used to predict the DNA molecule translocation through nanopore. PFP model discards the continuum assumption of ion translocation and considers ions as discrete particles. In addition, this model includes the contributions of Coulomb electrostatic potential between ions, Brownian motion of ions and viscous friction to ion transportation. No ionic diffusion coefficient and other phenomenological parameters are needed in the PFP model. It is worth noting that the PFP model can describe non-equilibrium electroosmotic transportation of ions in a channel of a size comparable with the mean free path of ion. A modified clustering method is proposed for the numerical solution of PFP model, and ion current translocation through nanopore with a radius of 1 nm is simulated using the modified clustering method. The external electric field, wall charge density of nanopore, surface charge density of DNA, as well as ion average number density, influence the electroosmotic velocity profile of electrolyte solution, the velocity of DNA translocation through nanopore and ion current blockade. Results show that the ion average number density of electrolyte and surface charge density of nanopore have a significant effect on the translocation velocity of DNA and the ion current blockade. The translocation velocity of DNA is proportional to the surface charge density of nanopore, and is inversely proportional to ion average number density of electrolyte solution. Thus, the translocation velocity of DNAs can be controlled to improve the accuracy of sequencing by adjusting the external electric field, ion average number density of electrolyte and surface charge density of nanopore. Ion current decreases when the ion average number density is larger than the critical value and increases when the ion average number density is lower than the critical value. Our numerical simulation shows that the translocation velocity of DNA given by the PFP model agrees with the experimental, results better than that given by PNP model or PB model.     

Predicted flow characteristics of a wire-nonparallel plate type electrohydrodynamic gas pump using the Finite Element Method

The aim of this paper is to numerically investigate the interaction between the electrostatic field and the fluid flow in a wire-nonparallel plate configuration of electrodes. The governing equations: Poisson equation for electric field, continuity equation for charge transport and the momentum equation for gas flow were solved using the Finite Element Method assuming a highly non-uniform mesh distribution. The main outcome of this study is the determination of velocity versus pressure characteristics of the pump, which provides useful information for predicting the pump performance and for control purposes. In addition, the efficiency and optimum geometric configuration are evaluated using this model. The numerical results show that a higher voltage leads to larger velocity and higher pressure, where the gas velocity is a linear, but pressure is a non-linear function of the supplied voltage. It was also found that there is an optimum wall angle for which the air volumetric flow rate from the outlet of the pump reaches the maximum value.     

Monte Carlo analysis of polymer translocation with deterministic and noisy electric fields

Polymer translocation through the nanochannel is studied by means of a Monte Carlo approach, in the presence of a static or oscillating external electric voltage. The polymer is described as a chain molecule according to the two-dimensional “bond fluctuation model”. It moves through a piecewise linear channel, which mimics a nanopore in a biological membrane. The monomers of the chain interact with the walls of the channel, modelled as a reflecting barrier. We analyze the polymer dynamics, concentrating on the translocation time through the channel, when an external electric field is applied. By introducing a source of coloured noise, we analyze the effect of correlated random fluctuations on the polymer translocation dynamics.     

导电突扩管中磁流体管流的数值模拟

采用基于OpenFOAM环境自主开发的低磁雷诺数磁流体求解器,对45°和90°突扩矩形管中液态金属流体在受到垂直流向的外加磁场作用时的速度、感应电流、压力的分布及突扩位置处的MHD三维现象进行数值模拟.结果表明：磁场沿突扩方向时,由于无回流涡,45°比90°突扩管在肩部位置速度分布更优.哈特曼数增大,强射流和突扩结构,在突扩肩部位置引发流动的不稳定性.伴随感应电流的不稳定,流动不稳定发展到突扩位置上游.磁场沿垂直突扩方向时感应电流的三维效应显著.哈特曼数增大,MHD压降显著增大.同方向磁场和相同哈特曼数,不同突扩角度的三维无量纲压力梯度无明显差异.     

粗糙纳通道内流体流动与传热的分子动力学模拟研究

为研究粗糙表面对纳尺度流体流动和传热及其流固界面速度滑移与温度阶跃的影响,本文建立了粗糙纳通道内流体流动和传热耦合过程的分子动力学模型,模拟研究了粗糙通道内流体的微观结构、速度和温度分布、速度滑移和温度阶跃并与光滑通道进行了比较,并分析了固液相互作用强度和壁面刚度对界面处速度滑移和温度阶跃的影响规律. 研究结果表明,在外力作用下,纳通道主流区域的速度分布呈抛物线分布,由于流体流动导致的黏性耗散使得纳通道内的温度分布呈四次方分布. 并且,在固体壁面处存在速度滑移与温度阶跃. 表面粗糙度的存在使得流体剪切流动产生了额外的黏性耗散,使得粗糙纳通道内的流体速度水平小于光滑通道,温度水平高于光滑通道,并且粗糙表面的速度滑移与温度阶跃均小于光滑通道. 另外,固液相互作用强度的增大和壁面刚度的减小均可导致界面处速度滑移和温度阶跃程度降低. 关键词： 速度滑移 温度阶跃 流固界面 粗糙度     

Charged Nanoparticle Transport in Polymer-Grafted Nanochannels

Molecular dynamics simulations were used to investigate the electric field-induced migration of nanoparticles in a nanochannel grafted with a polymer brush. The distribution of nanoparticles, brush monomer density and migration velocity are addressed at different electric field strengths and grafting densities. The increase of the grafting density leads to a decrease of the effective radius of the nanochannel. At high grafting density, the distribution of nanoparticles is shifted significantly towards the center of the channel. Enhancing the electric field leads to a very slight change of brush monomer density. The migration velocity increases with the electric field rapidly at weak electric fields, while a slow increase is observed at strong electric fields. Additionally, it is found that the migration velocity of nanoparticles exhibits a nonlinear dependence on the grafting density.     

Asymmetric diffusion through synthetic nanopores

We show that diffusion currents for a membrane containing a single conical nanopore with a fixed surface charge and small enough opening diameter depend on the concentration gradient direction. We interpret the results based on the effect of salt concentration on the thickness of the electrical double layer within the nanopore associated with the nanopore's surface charge and the distribution of electric fields inside the pore. The experimental observations are described by a diffusional model based on the Smoluchowski-Nernst-Planck equation.     

Density functional theory study on ion adsorption and electroosmotic flow in a membrane with charged cylindrical pores†

ABSTRACT

Ion adsorption and electroosmotic flow induced by an external electric field have a variety of practical applications, especially for membrane technology. In this work, a partially perturbative density functional theory (DFT) based on the modified fundamental measure theory was applied to investigate the ion density distributions and partitions in a charged cylindrical pore. Different types of electrolyte solutions, including both charge symmetric and asymmetric, were examined using the proposed theory with various pore diameters, bulk densities, ion valencies and surface charge densities. The ion concentration profiles calculated with the theory exhibit good agreements with the results of the Monte Carlo simulations, while the results of the Poisson–Boltzmann equation deviate greatly especially for the high valence electrolytes in narrow cylindrical pores. Some interesting phenomena discovered in both experiments and simulations, such as the reverse distribution of the ions and charge inversion, can be well reproduced with the DFT. Based on the ion concentration distributions obtained from the DFT, the transient velocity profiles of the electroosmotic flow in the charged cylindrical nanopores were calculated with the Navier–Stokes (NS) equation. The characteristics of the electroosmotic flow were discussed under the different bulk electrolyte concentrations and thickness of the electric double layer inside the nanopore. The enhancement of the velocity near the pore wall, which cannot be described by the traditional theory, was well characterised by the DFT combined with the NS equation.