亲水/疏水复合凹槽壁面上气泡成核的分子动力学模拟研究

本文采用分子动力学方法研究亲水/疏水性复合壁面凹槽壁面对气泡成核的影响,并对比其与单一亲水性或单一疏水性凹槽壁面在成核行为、成核率等方面的差异。结果表明:液体氩在不同润湿性凹槽壁面加热下均产生明显的气核,但成核现象存在差异;固–液传热效率随着亲水性的增强而提高,而壁面附近液体原子所受的势能束缚随疏水性增强而降低,亲水/疏水性复合壁面凹槽可利用其亲水侧高效传热与疏水侧低相变能垒的优势,提高被加热液体的成核率。     

柱塞气举过程中气液瞬态密封性研究

柱塞气举排水采气工艺具有良好的技术经济性,深刻掌握其流体动力学机理与系统规律,是改善其工业应用效果的关键。本文以柱状柱塞及其上部含气液柱为研究对象,通过受力分析建立柱塞气举瞬态泄漏量物理模型;利用有限差分方法实现模型求解;结合室内实验实现模型验证与应用。新模型考虑了柱塞举升过程中的液体泄漏,也考虑了举升液柱含气率的瞬态变化,更贴近实际工况。揭示了柱塞气举过程中举升压差、柱塞上行速度、液体泄漏流量和举升液柱含气率的瞬态变化过程;发现积液液柱含气率随着举升过程逐渐增大;柱塞上行瞬时速度与加速度共同影响液体泄漏,液体泄漏流量随着举升过程先增大后减小。     

液滴撞击超亲水表面的最大铺展直径预测模型

液滴撞击超亲水表面铺展之后形成的薄液膜铺展直径是喷雾冷却、降膜蒸发等传热传质过程的一项关键控制参数.以往模型在预测超亲水表面惯性力驱动下的最大铺展直径时,存在低韦伯数下呈反常趋势、高韦伯数下预测值偏低等问题.针对上述问题,本文采用高速摄像技术研究液滴撞击过程中的铺展水力学特性,发现了以往模型未完全考虑超亲水表面的铺展特性:球冠状液膜、高黏性阻力及重力势能做功.本文考虑了液膜球冠形态、重力势能、辅助耗散,修正了以往最大铺展直径的预测模型,并建立了适用于超亲水表面最大铺展直径的预测模型.通过对铺展过程中各能量成分分析发现,在超亲水表面上动能、表面能、重力势能均转化为黏性耗散能,其中:在低韦伯数下,表面能转化为黏性耗散能占主要作用;在高韦伯数下,动能转化为黏性耗散能占主要作用.并且,在低韦伯数下,重力势能和辅助耗散的引入对于准确预测超亲水表面最大铺展直径具有重要作用.将模型预测结果与实验结果比较发现,本模型成功消除了以往模型在低韦伯数下的反常趋势,且能较好预测宽韦伯数范围下超亲水表面最大铺展直径.同时,本模型可以预测亲水和疏水固体表面的液滴最大铺展直径.超亲水表面最大铺展直径的准确预测模型的...     

混合润湿性柱状纳米结构对铜板上纳米氩膜沸腾传热的影响

混合润湿性对固/液相互作用有显著影响,因此对提高相变过程中的传热速率有积极作用.采用分子动力学模拟方法研究了柱状纳米结构表面混合润湿性对池沸腾传热的影响.分析了混合润湿性和纳米结构柱高对液体起始沸腾时间和温度的影响及其机理.结果表明,疏水比例和柱高会影响爆沸的起始温度和时间.与纯亲水壁相比,增加疏水比改变了固液界面性质,可以降低沸腾温度,更容易突破势能壁垒,使液体起始沸腾时间提前,并且随着疏水比的增加,不同柱高下的沸腾温度降低;当疏水比相同时,增加柱高扩大了混合润湿性的影响,也能降低沸腾起始温度并使液体起始沸腾时间提前.这为设计微纳粗糙结构和混合润湿表面以强化沸腾传热提供了思路.     

吸收器水平管外降膜流动数值模拟研究

建立了吸收式制冷机组吸收器水平管外气液降膜流动数值模型,分析了布液高度、布液孔大小、水平管直径及液体入口速度对液膜流动特性的影响,探讨了不同液体入口温度下液膜表面的温度分布。结果表明:液体铺展过程中液膜前端出现小液滴的分离;液膜厚度随周向角的增加先减小后增加,液膜Y方向速度呈相反的变化趋势;随液体入口流速的增加,液膜厚度增加,管壁下方的"干区"面积随之增加;随布液孔孔径的增大,液膜厚度及Y方向速度增加;随布液高度及降膜管直径的增加,液膜厚度减小,Y方向速度增加;随周向角的增加,液膜表面温度逐渐降低,并随着温差的增加,液膜温度降低幅度较大。     

推进剂液体获取装置中多孔筛网的阻力特性研究

荷兰斜纹筛网是推进剂液体获取装置(LAD)中气液分离的核心部件,通过分析通道式表面张力液体获取装置内低温流体流过多孔筛网的过程,构建了三种不同目数筛网的数值计算模型。采用改变液体获取装置进出口压差的方式,研究了筛网在不同进口速度、不同低温流体情况下的阻力特性。结果表明,越靠近LAD出口管道处流体速度越大,压降越大,当进口速度u=0.022 m/s时,DTW 200×1 400筛网下方的流体压力较上方减小了23.4%～31.1%;编织密度越高的筛网,流动阻力越大,产生的压降越大;相同进口速度下,液氧的压降最大,液态甲烷次之,液氢最小,当进口速度u0.2 m/s时三种流体的压降数值差异较小,随着进口速度逐渐增大,三种流体的压降差距呈非线性增大;通过阻力系数和孔隙雷诺数的计算结果得出了适用于荷兰斜纹筛网的阻力系数关系式f=8.79/Re_p+0.39。     

离子液体液滴在加热平板上的铺展特性研究

采用FLIR红外热像仪对离子液体及其水溶液液滴撞击加热平板后的表面温度分布进行研究,分析了液滴铺展直径随平板加热温度及加热时间的变化规律。结果表明:随着液滴与平板加热时间的增加,液滴表面温度分布均由凹状分布变化至均匀分布;随着平板温度的增加,液滴表面温度增加。随着加热时间的增加,水液滴直径缓慢减小,并在某一时刻急剧降低;而对于60wt%离子液体液滴及纯离子液体液滴,液滴直径反而缓慢增加并趋于稳定。随着加热温度的增加,水液滴直径急剧降低的时刻点前移,对于60wt%离子液体溶液液滴,液滴直径变化规律不明显,而对于纯离子液体液滴,液滴直径逐渐增加。     

单液滴冲击超疏水壁面的压力特性研究

雨滴撞击索类结构表面可能会激发振动及表面积冰等问题,现有研究多关注于疏水壁面及液滴撞击壁面铺展、回缩特性,鲜见涉及雨滴冲击超疏水壁面压力特性的研究.为此,采用CLSVOF方法对单液滴冲击超疏水固壁面这一过程进行数值计算,分析了液滴速度、初始直径等因素对液滴冲击超疏水壁面的压力特性、液滴动态行为特性及液滴与壁面接触时间的影响.结果 表明:单液滴撞击超疏水壁面的过程中,接触瞬间在接触点附近产生局部高压区,而在液滴铺展过程中,对壁面几乎没有压力冲击;在回缩反弹阶段,壁面受到持续较长时间的压力波动,且压力波动区域不局限于初始接触点附近较小范围.撞击速度或液滴初始直径的增大使壁面受到的冲击更为剧烈,且初始速度对壁面受压的影响更为明显.一定范围内液滴初始直径的增大则会导致接触时间延长.     

高温壁面润湿性对气层稳定性及其壁面滑移性能的分子动力学研究

针对流体在纳米通道的小尺度效应,采用分子动力学方法模拟了传热效应以及流体流动行为,研究在壁面温度影响下,不同润湿性壁面上方气层生成状态以及流体流动时气层的稳定特性和相应的减阻性能.结果表明:当壁面为纯疏水壁面时,不能形成气层;疏水基底+亲水组合壁面形成不规则气层;纯亲水壁面和亲水基底+疏水组合壁面能形成规则气层.当流体流动时,疏水基底+亲水组合壁面气层消失,而纯亲水壁面和亲水基底+疏水组合壁面气层较为稳定.纯疏水壁面主流区域速度较大,而纯亲水壁面主流区域最低.对于壁面滑移速度,存在气层的壁面滑移速度与纯疏水表面相对接近,甚至稍优于纯属疏水表面,而疏水基底+亲水组合壁面滑移速度最小.     

纳米特性表面圆柱型高速喷流沸腾临界热流密度的实验研究

制备了分别具有亲水和疏水特性的2种纳米特性表面,对具有不同固液接触角的传热面上圆柱型高速水喷流沸腾的沸腾临界热流密度(CHF)进行了系统的稳态实验研究,重点考察了喷流速度,过冷度和传热面固液接触角对CHF的影响。通过研究整理了传热面固液接触角和CHF之间的实验关系。对作者过去提出的饱和液与过冷液圆柱喷流沸腾CHF的半理论关系式进行了扩展和改进,使公式扩展到高流速范围和广泛的固液接触角范围。改进的关系式与实验数据符合得很好.     

Experimental Study on Physical Mechanism of Drag Reduction of Hydrophobic Materials in Laminar Flow

We experimentally study the physical mechanism of the drag reduction of hydrophobic materials in the macroscopic scale. The experiment includes the drag and velocity measurements of laminar boundary layer flow over flat plates, and the observation of air bubbles on the surfaces. The plate surfaces have different wetting and roughness properties. In the drag measurements, the plates with bubbles on the surfaces lead to drag reduction, but not for those without bubbles. Velocity measurement confirms that the flow is laminar and gives apparent fluid slip on the plate wall with bubbles. In observation, air bubbles in macroscopic size emerge and enlarge on hydrophobic surfaces but not on hydrophilic surfaces. Therefore, the drag reduction of hydrophobic materials is explained by the generation of air bubbles of macroscopic size that cause the apparent velocity slip.     

纳米通道内液体流动的滑移现象

采用分子动力学模拟方法研究了液态氩在铂纳米通道内的流动，通过改变流体和壁面之间的势能作用获得了流体和通道表面之间浸润性质不同时的滑移现象. 研究发现：液体分子在亲水性通道表面附近呈类固体性质，数密度和有序性较大，而在疏水性表面附近的平均数密度降低，形成一个低密度层；液体流动在固体表面的速度滑移随着液体与表面势能作用的增强而减小，当液体和表面的浸润性不同时可以发生滑移、表观无滑移和负滑移现象；液体在固体表面的表观滑移是液体在固体表面的速度滑移、粘附和流体内部滑移的综合作用的结果. 关键词： 纳米尺度流动 速度滑移 浸润性 分子动力学模拟     

气孔分布特性对含水多孔介质气体扩散的影响

本文基于多孔介质的气孔分布特性,计算了多孔介质在含水状态下的扩散性能,并且比较了采用两种方式计算相对渗透率时的相对扩散性能。其结果表明,基于气孔分布的计算结果低于与气孔分布无关的计算结果。另外,疏水性含水多孔介质的扩散性能低于亲水性含水多孔介质的扩散性能,基于气孔分布计算含水多孔介质的气体扩散性能时,Wyllie公式并不适用。     

A Predictive Model for the Initial Droplet Size and Velocity Distributions in Sprays and Comparison with Experiments

The distribution of sizes and velocities of droplets initially formed in sprays is an important piece of information needed in the spray modelling, because it defines the initial condition of the spray droplets in the predictive calculations of the downstream two‐phase flow fields. A predictive model for the initial droplet size and velocity distributions in sprays is formulated in this study. The present model incorporates both the deterministic and the stochastic aspect of spray formation process. The deterministic aspect takes into account of the unstable wave motion before the liquid bulk breakup through the linear and nonlinear instability analysis, which provides information for the liquid bulk breakup length, the mass‐mean diameter and a prior distribution for the droplet sizes corresponding to the unstable wave growth of various wavelengths. The stochastic aspect deals with the final stage of droplet formation after the liquid bulk breakup by statistical means through the maximum entropy principle based on Bayesian entropy. The two sub‐models are coupled together by the various source terms signifying the liquid‐gas interaction, the mass mean diameter and the prior distribution based on the instability analysis. The initial droplet size and velocity distributions are measured experimentally by phase‐Doppler interferometry for sprays generated by a planar research nozzle and a practical gas turbine airblast nozzle. For the two nozzles, the liquid bulk sheet is formed before its breakup in a coflowing air stream. It is found that the model predictions are in satisfactory agreement with the experimental data for all the cases measured. Hence the present model may be applied to a variety of practical sprays to specify the initial conditions for the spray droplets formed in practical spray systems.     

Phase coexistence and dynamic properties of water in nanopores

The dynamical properties of a confined fluid depend strongly on the (spatially varying) density. Its knowledge is therefore an important prerequisite for molecular-dynamics (MD) simulations and the analysis of experimental data. In a mixed Gibbs ensemble Monte Carlo (GEMC)/MD simulation approach we first apply the GEMC method to find possible phase states of water in hydrophilic and hydrophobic nanopores. The obtained phase diagrams evidence that a two-phase state is the most probable state of a fluid in incompletely filled pores in a wide range of temperature and level of pore filling. Pronounced variations of the average and local densities are observed. Subsequently, we apply constant-volume MD simulations to obtain water diffusion coefficients and to study their spatial variation along the pore radius. In general, water diffusivity slightly decreases in a hydrophilic pore and noticeably increases in a hydrophobic pore (up to about 40% with respect to the bulk value). In the range of gradual density variations the local diffusivity essentially follows the inverse density and the water binding energy. The diffusivity in the quasi-two-dimensional water layers near the hydrophilic wall decreases by 10 to 20% with respect to the bulk value. The average diffusivity of water in incompletely filled pore is discussed on the basis of the water diffusivities in the coexisting phases.Received: 1 January 2003, Published online: 14 October 2003PACS: 61.20.Ja Computer simulation of liquid structure - 64.70.Fx Liquid-vapor transitions     

微通道中流体流动的分子动力学模拟

本文建立了周期外力作用下流体在微通道间流动模型.以此模型为基础,模拟计算了氩在亲水性和憎水性平行平板壁面间的流动过程,并对速度分布、温度分布等进行了统计.模拟结果表明在憎水性壁面附近,易观察到速度滑移和温度阶跃现象,而亲水性壁面上则反之.与N-S方程和能量方程的解进行了比较,亲水性通道速度和温度的模拟结果与分析解吻合较好,憎水性通道的模拟结果与分析解相差较大.同时,对300℃下不同密度水的流动进行了模拟,随着密度的增大,在壁面附近流体流动特性发生了变化.     

Water behavior in the neighborhood of hydrophilic and hydrophobic membranes: Lessons from molecular dynamics simulations

The study of properties of water in the vicinity of surfaces poses a fascinating challenge. In this article we studied the behavior of water molecules in the neighborhood of membranes. We addressed the question of how these water molecules are influenced by the membranes’ hydrophilicity. Three systems were studied through molecular dynamics simulations: water in the presence of a hydrophilic membrane (PL), water in the presence of a hydrophobic (PB) one and water in the absence of membranes (BULK). Additionally, in order to study the dependence of the effect of the membrane on the behavior of neighboring water molecules with temperature, each system was simulated at three different temperatures (K): 250, 300 and 350. For each condition, kinetic and structural features were studied. The first feature involved the calculation of diffusion coefficients and activation energy. The second feature was evaluated through the study of water density and hydrogen bond distribution. From the present study we concluded that: (1) density studies underestimate the influence of both hydrophilic and hydrophobic membranes on the neighboring water molecules; (2) the hydrophilic and hydrophobic membranes disturb the hydrogen bond network within distances ranging from 1 to 8 nm, depending on the nature of the membrane and the temperature conditions; (3) the presence of a hydrophobic surface results in an enhancement of the natural hydrogen bond network present in liquid water, to a greater extent than what even an ordered Ih ice structure is able to achieve (i.e. PL membrane); (4) the structural enhancement due to the presence of a hydrophobic surface involves roughly 18 to 24 water hydration layers, for ambient and above temperature conditions.     

Nanorheology: An investigation of the boundary condition at hydrophobic and hydrophilic interfaces

It has been shown that the flow of a simple liquid over a solid surface can violate the so-called no-slip boundary condition. We investigate the flow of polar liquids, water and glycerol, on a hydrophilic Pyrex surface and a hydrophobic surface made of a Self-Assembled Monolayer of OTS (octadecyltrichlorosilane) on Pyrex. We use a Dynamic Surface Force Apparatus (DSFA) which allows one to study the flow of a liquid film confined between two surfaces with a nanometer resolution. No-slip boundary conditions are found for both fluids on hydrophilic surfaces only. Significant slip is found on the hydrophobic surfaces, with a typical length of one hundred nanometers. Received 21 December 2001 and Received in final form 3 August 2002 RID="a" ID="a"e-mail: ccottin@dpm.univ-lyon1.fr RID="b" ID="b"Present address.