壁面效应对纳米尺度气体流动的影响规律研究

采用分子动力学方法研究了过渡区纳米通道内的壁面力场对气体剪切流动的影响规律.在纳米尺度下,壁面力场对流场的主导作用更加显著,流动物理量对于壁面条件和系统温度的变化也更加敏感.壁面原子的运动采用Einstein模型模拟,结果表明随着壁面刚度的增加,气体在近壁面区域的速度峰值减小,气体分子与壁面的动量适应性变差.壁面粗糙度通过金字塔形模型来研究,发现无论是主流区域还是近壁区域,壁面粗糙度对流动的影响都非常明显.当粗糙单元高度增大时,气体分子在壁面处的聚集现象明显,与壁面完全动量适应.本文还研究了系统温度对纳米通道流动的影响,结果表明温度的影响是全局性的,温度的升高导致整个通道内流速降低,近壁区域气体密度减小,气-固动量适应性变差.     

双尺度疏油结构纳米通道滑移效应的研究

针对双尺度结构表面疏油特性的优异性,采用分子动力学的方法建立油液流体正十六烷烃分子模型,研究双尺度结构壁面润湿性影响下的纳米通道内流体的流动特性,通过对通道壁面亲疏油性下的双尺度结构的构建,与光滑壁面和单尺度壁面进行比较来探究双尺度纳米通道表面结构影响下油液流体在纳米通道内密度分布、速度分布、速度滑移和滑移长度的影响.模拟结果表明:对于亲油通道壁面,双尺度结构壁面亲油性明显加强,主流区域流体密度、流体速度和速度滑移都减小,甚至出现负滑移;而对于疏油通道壁面,双尺度分层结构能加强壁面的疏油性,通道内壁面形成稳定的气层使流体主流区域的密度增大,并且通道内流体的速度、速度滑移和滑移长度明显大于光滑和单尺度结构壁面.因此,纳米通道内双尺度结构能改变通道壁面的润湿性,并且能够加强流体在纳米疏油通道内的滑移减阻效应,为纳米通道内油液运输以及润滑薄膜减阻提供了设计基础.     

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.     

粗糙壁面湍流边界层流动和拟序结构的大涡模拟研究

采用LES方法和虚拟粗糙元模型,,模拟了Rer=180有粗糙壁面的充分发展槽道湍流流动.从流向平均速度、脉动速度均方根、雷诺剪切应力、脉动速度相关,以及瞬时近壁准流向涡结构等多个方面,对粗糙壁面湍流边界层流动和拟序结构进行了分析.结果表明,粗糙壁面处雷诺剪切应力、脉动速度均方根以及近壁条带平均距离和准流向涡尺度都大于光滑壁面,且随着粗糙元高度的增加这种趋势更加明显.本工作为进一步研究颗粒在近壁区域的弥散规律奠定了基础.     

温度和分子间作用对切向动量协调系数的耦合效应

切向动量协调系数(TMAC)是描述气体滑移流动的重要边界条件。运用非平衡分子动力学方法,构建了能够反映流体粒子与壁面粒子相互作用关系的物理模型。结果显示:当壁面存在吸附层或壁面无气体吸附层时,同一势能强度下TMAC值都随着温度的升高而降低;而在吸附层能够解吸附的温度,TMAC值发生突跃。在本文的模拟条件下,气体粒子离开壁面吸附的能力和壁面粒子及吸附层粒子热运动产生的粗糙度决定了TMAC值的分布。     

分子动力学模拟纳米通道内混合气体流动的温度效应

温度对纳米通道内流体的流动有显著的作用。运用分子动力学方法,模拟了不同温度下气体混合物在纳米通道内的Poiseuille流动。结果表明:气体混合物化学成分和物理结构都是非均匀的,固壁附近亲水粒子密度随着温度的升高而降低,疏水粒子随着温度的升高逐渐能够到达固壁附近。纳米通道内混合气体在温度较低时有明显的分层现象,而随着温度的升高,密度分布趋于一致。同时在固体壁面从温度较低时的无表观滑移到表观滑移速度随着温度的升高而逐渐增大,而在通道中心混合气体的流动速度随着温度的升高而降低。     

微通道内给定壁面热流的气体换热研究

本文利用实施给定热流边界条件的DSMC方法,对短通道内给定壁面热流边界条件下的气体换热情况进行了模拟.结果表明,壁面热流密度增大导致通道内压力分布非线性程度增加.随着热流密度的增大,截面速度分布趋于平缓,滑移速度增大.给定热流密度的通道壁面温度与气流截面平均温度的差值沿程增大,温度梯度沿程下降,气体稀薄性增大时,通道换热减弱.     

横向粗糙元壁面槽道湍流的大涡模拟研究

采用大涡模拟和浸没边界法相结合对不同高度和不同间距横向粗糙元壁面槽道湍流进行了模拟,得到了光滑壁面和粗糙壁面湍流的流向平均速度分布,雷诺剪切应力,脉动速度均方根和近壁区拟序结构。结果发现横向粗糙元降低了流向平均速度,增大了流动阻力,粗糙壁面湍流的雷诺剪切应力大于光滑壁面。粗糙元降低了流向脉动速度,增强了展向和法向脉动速度。粗糙元高度越高,对湍流流动影响越大,而粗糙元间距对湍流统计特性的影响不大。粗糙壁面仍然存在着和光滑壁面类似的条带结构。     

纳米通道内液态微流动密度分布特性数值模拟研究

微通道内流动因表面积/体积比值极大, 造成许多微尺度效应, 进而使微通道内出现完全不同于宏观流动的流体密度分布特性. 本文以纳米通道内液态Poiseuille流为对象, 采用非平衡分子动力学模拟方法研究了流体原子间相互作用强度ε_LL, 流体原子间平衡距离σ_LL以及壁面原子与流体原子间平衡距离σ_LS对通道内流体密度分布的影响规律. 数值模拟中, 统计系综取微正则系综, 势能函数选用LJ/126模型, 壁面设为Rigid-atom壁面, 温度校正使用速度定标法, 牛顿运动方程的求解则采用Verlet算法. 模拟结果表明, 随ε_LL的减弱, 近壁面区密度分布的振荡幅度则逐渐增大; 而σ_LL 则同时影响流体原子的存在形态和密度分布, 较大的σ_LL 会造成流体原子在整个通道内呈现面心立方结构的类似固体排列, 较小的σ_LL会使得流体原子呈现不断变化的 "团簇" 结构; 随σ_LS的变大, 近壁面区流体密度振荡幅度增大, 且流体密度分布起点离壁面越远. 另外, 本文还从近壁面区流体原子的 "俘获-逃逸" 行为角度, 初步解释了原子间相互作用强度对密度分布的影响规律. 关键词： 纳米通道 微流动 密度分布 分子动力学     

微通道内电解质溶液离子分布动电学效应模拟

动电学效应对微通道内流体流动特性影响很大,其对通道内粒子分布特性的影响使得通道近壁面流体流动特性极不稳定。本文采用分子动力学方法模拟了二维矩形微通道内NaCl稀电解质溶液的流动特性,考虑存在于不同粒子间的Lennard-Jones势能、静电力、以及带电离子与水分子间的相互作用,得到了粒子在通道内的分布特征。结果显示在动电学效应主要作用于通道壁面附近,而主流区域影响极小。Na~+离子在无量纲通道高度达到0.08和0.91时其浓度达到最大值,沿远离壁面其浓度逐渐降低,与壁面电性相反的Cl~-离子则在无量纲通道高度达到0.15和0.84附近浓度最高。其结果与基于连续介质解理论的Boltzamnn统计分布一致。水分子的浓度在壁面附近也较通道中心处高。     

Discrete Boltzmann Method with Maxwell-Type Boundary Condition for Slip Flow

The rarefied effect of gas flow in microchannel is significant and cannot be well described by traditional hydrodynamic models. It has been known that discrete Boltzmann model(DBM) has the potential to investigate flows in a relatively wider range of Knudsen number because of its intrinsic kinetic nature inherited from Boltzmann equation.It is crucial to have a proper kinetic boundary condition for DBM to capture the velocity slip and the flow characteristics in the Knudsen layer. In this paper, we present a DBM combined with Maxwell-type boundary condition model for slip flow. The tangential momentum accommodation coefficient is introduced to implement a gas-surface interaction model.Both the velocity slip and the Knudsen layer under various Knudsen numbers and accommodation coefficients can be well described. Two kinds of slip flows, including Couette flow and Poiseuille flow, are simulated to verify the model.To dynamically compare results from different models, the relation between the definition of Knudsen number in hard sphere model and that in BGK model is clarified.     

微尺度振荡Couette流的格子Boltzmann模拟

采用有效多松弛时间-格子Boltzmann方法(Effective MRT-LBM)数值模拟了微尺度条件下的振荡Couette和Poiseuille流动. 在微流动LBM中引入Knudsen边界层模型,对松弛时间进行修正. 模拟时平板或外力以正弦周期振动,Couette流中考虑了单平板振动、上下板同相振动这两类情况. 研究结果表明,修正后的MRT-LBM模型能有效用于这类非平衡的微尺度流动模拟;对于Couette流,随着Kn数的增大,壁面滑移效应变得越明显. St越大,板间速度剖面的非线性特性越剧烈;两板同相振荡时,若Kn,St均较小,板间流体受到平板拖动剪切的影响很小,板间速度几乎重叠在一起;在振荡Poiseuille流动中,St数增大到一定值时,相位滞后现象减弱;相对于Kn数,St数对振荡Couette 和Poiseuille流中不同位置处速度相位差的产生有较大影响. 关键词： 格子Boltzmann方法 有效MRT模型 Knudsen层 振荡流     

Effect of gas adsorption on momentum accommodation coefficients in microgas flows using molecular dynamic simulations

The tangential momentum accommodation coefficient (TMAC), usually used in slip boundary conditions in micro-gas flows, is reported to be always less than unity and greatly influenced by temperature and the strength of gas–wall interactions. According to the definitions of accommodation coefficients, a proper statistical algorithm in non-equilibrium molecular dynamics method was described and verified. In planar Poiseuille gas flow in a smooth microchannel, the TMAC were calculated considering both the effects of temperature and gas–wall interaction. In the simulation processes, more gas molecules began to be adsorbed near walls under the condition of stronger gas–wall interaction and lower temperature. The gas adsorption resulted in a longer gas–wall interaction time so that the TMAC increased. While the gas–wall interaction became much stronger, more and more gas molecules were adsorbed to form an explicit layer above the wall. The full coverage of gas molecules on the wall prevented further adsorption; therefore the TMAC did not keep on increasing as the interaction strength continued to increase. Meanwhile, the normal momentum accommodation coefficient (NMAC) was also calculated according to the definition. In the isothermal flow, the average gas momentum normal to the wall was in complete accommodation with the wall, and the NMAC was almost unity in smooth micro channels.     

微通道疏水表面滑移的耗散粒子动力学研究

了解疏水表面的滑移规律对其在流动减阻方面的应用至关重要.利用耗散粒子动力学(dissipative particle dynamics, DPD)方法研究了微通道疏水表面的滑移现象.采用固定住的粒子并配合修正的向前反弹机制,构建了DPD固体壁面边界模型,利用该边界模型模拟了平板间的Couette流动.研究结果表明,通过调整壁面与流体间排斥作用强度,壁面能实现从无滑移到滑移的转变,壁面与流体间排斥作用越强,即疏水性越强,壁面滑移越明显,并且滑移长度与接触角之间存在近似的二次函数关系.无滑移时壁面附近密度分布均匀,有滑移时壁面附近存在低密度区域,低密度区域阻碍了动量传递,致使壁面产生滑移.     

Gas Flow in Microchannels – A Lattice Boltzmann Method Approach

Gas flow in microchannels can often encounter tangential slip motion at the solid surface even under creeping flow conditions. To simulate low speed gas flows with Knudsen numbers extending into the transition regime, alternative methods to both the Navier–Stokes and direct simulation Monte Carlo approaches are needed that balance computational efficiency and simulation accuracy. The lattice Boltzmann method offers an approach that is particularly suitable for mesoscopic simulation where details of the molecular motion are not required. In this paper, the lattice Boltzmann method has been applied to gas flows with finite Knudsen number and the tangential momentum accommodation coefficient has been implemented to describe the gas-surface interactions. For fully-developed channel flows, the results of the present method are in excellent agreement with the analytical slip-flow solution of the Navier–Stokes equations, which are valid for Knudsen numbers less than 0.1. The present paper demonstrates that the lattice Boltzmann approach is a promising alternative simulation tool for the design of microfluidic devices.     

Modified relaxation time Monte Carlo method for continuum-transition gas flows

Gas flows in the continuum-transition regime often occur in micro-electro-mechanical systems. The relaxation time Monte Carlo (RTMC) method was modified by using an ellipsoid statistical model and a multiple translational temperature model in the BGK model equation to simulate continuum-transition gas flows. The modified RTMC method uses a simplified form of the generalized relaxation time, which is related to the macro velocity and the local Knudsen number. The results for Couette flow and Poiseuille flow in microchannels predicted using the modified RTMC and the DSMC are in good agreement with the modified RTMC being much faster than the DSMC for continuum-transition gas flow simulations.     

Ultrasound velocimetry in a shear-thickening wormlike micellar solution: Evidence for the coexistence of radial and vorticity shear bands

We carried out pointwise local velocity measurements on 40 mM cetylpyridinium chloride-sodium salicylate (CPyCl-NaSal) wormlike micellar solution using high-frequency ultrasound velocimetry in a Couette shear cell. The studied wormlike solution exhibits Newtonian, shear-thinning and shear-thickening rheological behavior in a stress-controlled environment. Previous rheology, flow visualization and small-angle light/neutron scattering experiments in the shear-thickening regime of this system showed the presence of stress-driven alternating transparent and turbid rings or vorticity bands along the axis of the Couette geometry. Through local velocity measurements we observe a homogeneous flow inside the 1mm gap of the Couette cell in the shear-thinning (stress-plateau) region. Only when the solution is sheared beyond the critical shear stress (shear-thickening regime) in a stress-controlled experiment, we observe inhomogeneous flow characterized by radial or velocity gradient shear bands with a highly sheared band near the rotor and a weakly sheared band near the stator of the Couette geometry. Furthermore, fast measurements performed in the shear-thickening regime to capture the temporal evolution of local velocities indicate coexistence of both radial and vorticity shear bands. However the same measurements carried out in shear rate controlled mode of the rheometer do not show such rheological complexity.     

Nonlinear effects in gases in the Couette problem

The nonlinear processes of heat and mass transfer in a rarefied gas confined between two infinite parallel plates maintained at different temperatures and moving at a relative velocity are considered. The profiles of the gas macroscopic flow velocity, density, temperature, heat fluxes, and shear stress were calculated on the basis of kinetic equations by the discrete velocity method in a wide range of Knudsen numbers at different values of temperature difference between the plates and plate velocities. It was shown that under certain conditions, the direction of gas flow near the “hot” plate can change to the opposite. It was discovered that the longitudinal and normal components of heat flux at a certain temperature difference between the plates change their orientation to the opposite in transition and nearly free molecular regimes.     

A Lattice Boltzmann Kinetic Model for Microflow and Heat Transfer

In this paper, we propose a lattice Boltzmann BGK model for simulation of micro flows with heat transfer based on kinetic theory and the thermal lattice Boltzmann method (He et al., J. Comp. Phys. 146:282, 1998). The relaxation times are redefined in terms of the Knudsen number and a diffuse scattering boundary condition (DSBC) is adopted to consider the velocity slip and temperature jump at wall boundaries. To check validity and potential of the present model in modelling the micro flows, two two-dimensional micro flows including thermal Couette flow and thermal developing channel flow are simulated and numerical results obtained compare well with previous studies of the direct simulation Monte Carlo (DSMC), molecular dynamics (MD) approaches and the Maxwell theoretical analysis