Spray flow-network flow transition of binary Lennard-Jones particle system

We simulate gas-liquid flows caused by rapid depressurization using a molecular dynamics model. The model consists of two types of Lennard-Jones particles, which we call liquid particles and gas particles. These two types of particles are distinguished by their mass and strength of interaction: a liquid particle has heavier mass and stronger interaction than a gas particle. By simulations with various initial number densities of these particles, we found that there is a transition from a spray flow to a network flow with an increase of the number density of the liquid particles. At the transition point, the size of the liquid droplets follows a power-law distribution, while it follows an exponential distribution when the number density of the liquid particles is lower than the critical value. The comparison between the transition of the model and that of models of percolation is discussed. The change of the average droplet size with the initial number density of the gas particles is also presented.     

LJ流体非牛顿现象的分子动力学模拟

使用非平衡分子动力学模拟方法研究了单原子LJ流体的非牛顿流变行为,并在系统中分别施加稳态Couette流场和振荡剪切流场.在Couette流场的模拟中,流体出现剪切变稀和法向应力差效应,不同剪切率下的径向分布函数反映了流体分子由于剪切所导致的微观结构变化,通过分析势能函数发现当剪切率增大时,分子间排斥作用增强,吸引作用减弱.在振荡剪切流场的模拟中,发现剪切应力和剪切率之间的相位差随频率增加而增加,随频率增加复数粘度的实部先增大再减小,虚部单调增加,导致虚部粘度相对实部粘度比例增大,弹性模量和粘性模量之比也随频率增加而增加.这三点现象表明LJ流体出现粘弹性行为,且在高频率下,弹性所占比重增大.     

Survey on nucleate pool boiling of nanofluids: the effect of particle size relative to roughness

Pool boiling heat transfer using nanofluids (which are suspensions of nano-sized particles in a base fluid) has been a subject of many investigations and incoherent results have been reported in literature regarding the same. In the past, experiments were conducted in nucleate pool boiling with varying parameters such as particle size, concentration, surface roughness etc. and all sort of results ranging from heat transfer enhancement, deterioration and no effect were reported. This work tries to segregate a survey on pool boiling of nanofluids with respect to particle concentration. This is due to the fact that a major drift in heat transfer behavior is observed at higher and lower particle concentration. But upon deep perusal it has been found that deterioration in heat transfer coefficient are mainly observed at higher particle concentrations (4–16% by weight) and enhancements mainly at lower particle concentrations (0.32–1.25% by weight). Moreover, the relative size of the particle with respect to the surface roughness of the heating surface seems to play an important role in understanding the boiling behaviour. Also, recent works have reported that change in ‘surface wetting’ of the heating surface due to nanofluids and the formation of a porous layer modifiying nucleation site density can be of importance in predicting nucleate pool boiling characteristics of nanofluids. In the present paper, attempts are made to make systematic analysis of results in literature and try to bring out a common understanding of the results in literature.     

Lennard-Jones binary fluids: A comparative study between the molecular dynamics and Monte Carlo descriptions of their structural properties

Molecular dynamics and Monte Carlo techniques are employed for the study of binary Lennard-Jones fluids. Systematic comparisons between the predictions of both techniques are discussed, with particular emphasis on the dependency of the structural properties with respect to temperature and Lennard-Jones potential parameters.     

Chemical potentials and phase equilibria of Lennard-Jones chain fluids

Computer simulations (molecular dynamics) were performed for ensembles of flexible tangent Lennard-Jones chains consisting of n sites (n = 1, 2, 4, 8, and 16). From these simulations, the orthobaric liquid and vapour densities were calculated not only with the traditional method of simulating a liquid film in coexistence with vapour, but also using the rigorous thermodynamic condition of satisfying the chemical potential equality between the phases in equilibrium. The agreement with literature data, as far as such exist, is excellent.     

Molecular dynamics simulations of one-dimensional Lennard-Jones systems

One-dimensional Lennard-Jones systems are investigated by molecular dynamics simulations. The full Lennard-Jones potential is compared to the repulsive Lennard-Jones potential. It is found that the pair correlation function and the normalized velocity autocorrelation function agree at high densities and high temperature. However, the diffusion coefficient indicates that the attractive potential introduces additional correlations into particle dynamics which are not reflected in the statics. These results are in agreement with three-dimensional studies.     

池沸腾传热的数学分析

在统计方法的基础上,对于池沸腾换热的传热机理提出了一个数学模型. 在没有增加新的经验常数的条件下,从该模型中可得到池沸腾热流密度是壁面过热度、活化穴最小与最大尺寸、流体的接触角与流体物理特性的函数. 该模型可以较好地解释润湿性如何影响沸腾热流密度. 对不同的接触角,模型预测的结果与实验相符合. 关键词： 池沸腾 传热 数学模型     

共沸混合工质HFC23/FC116沸腾传热实验研究

实验测量了二元共沸混合工质HFC23/FC116的池核沸腾传热特性。实验测量的加热面为紫铜表面,热流密度范围为50kW/m~2～300kw/m~2。同时实验结果与复叠温区常用制冷剂HFC13和R503的传热性能进行了比较。最后通过对实验数据进行多元回归分析,得到了共沸混合工质传热系数计算关联式,此关联式的计算值与实验值的偏差在±10%以内。     

Thermodynamic properties of a hard-core Lennard-Jones fluid from computer simulation and the coupling parameter series expansion

ABSTRACT

The thermodynamic properties of a fluid with an interaction potential consisting in a hard-sphere core plus a Lennard-Jones tail have been obtained by Monte Carlo (MC) NVT simulation as a function of the density along several isotherms. In addition, the liquid–vapour coexistence has been determined by means of histogram-reweighting MC. These data have been used to analyse the performance of perturbation theory. To this end, the first three perturbation terms of the inverse temperature expansion of the Helmholtz free energy have been obtained by means of MC NVT simulations to test the convergence of the perturbation series and to compare with the predictions of the coupling parameter series expansion. Then, the predictions of the latter theory for the thermodynamic properties have been compared with the simulations, revealing the overall excellent performance of this perturbation theory for this model fluid, except in the vicinity of the critical point.     

Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures

The influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of six binary Lennard-Jones (LJ) mixtures was studied by molecular dynamics (MD) simulations and density gradient theory (DGT). The mixtures were investigated at a constant temperature T, at which the low-boiling component, which is the same in all mixtures, is subcritical. Two different high-boiling components were considered: one is subcritical, the other is supercritical at T. Furthermore, the unlike dispersive interaction was varied such that mixtures with three different types of phase behaviour were obtained: ideal, low-boiling azeotrope, and high-boiling azeotrope. In a first series of simulations, the full LJ potential was used to describe these mixtures. To assess the influence of the long-range interactions, these results were compared with simulations carried out with the LJ truncated and shifted (LJTS) potential applying the corresponding states principle. The dispersive long-range interactions have a significant influence on the surface tension and the interfacial thickness of the studied mixtures, whereas the relative adsorption and the enrichment are hardly affected. Furthermore, the influence of the long-range interactions on Henry's law constants and the phase envelopes of the vapour–liquid equilibrium was investigated. The long-range interactions have practically no influence on the composition dependency of the investigated mixture properties.     

液态镓在石墨烯表面的润湿性及形貌特征

液态Ga及其合金的熔点低、毒副作用小、导电率高,使得这类液态金属能像石墨烯一样被广泛应用于微流器件、柔性电子器件中,制备这些器件的关键在于有效控制各生产环节中液态金属在固体界面上的润湿性及形貌特征.基于Lennard-Jones(L-J)势函数,利用分子动力学模拟方法研究了金属Ga在石墨烯表面的润湿性,根据模拟结果拟合的L-J势参数能正确描述Ga原子与衬底之间的相互作用并得到了与实验值极为接近的润湿角,发现衬底与液膜间相互作用的微小改变都会对最终润湿形态产生极大影响,平衡态的润湿角和脱离衬底速度随着Ga-C间势能的减小而增大,并成功获得了不同厚度的Ga液膜在石墨烯表面的形态演变规律,极为符合液态Ga的基本特性.利用所得L-J势函数参数模拟了液态Ga在粗糙度相同但纳米柱尖端形貌不同的C材料表面的润湿演变,发现纳米柱尖端形貌对液态Ga的润湿过程及状态影响极大.     

二元混合工质HFC23/CFC13池核沸腾传热的实验研究

实验测量了二元混合工质HFC23/CFC13池核沸腾传热特性。加热面为紫铜表面,实验测量的压力范围为0.1~0.55 MPa,热流范围为10 kW/m2~300 kW/m2。实验数据同现有经验关联式的计算结果相比较,发现Fu jita andTsutsu i关联式和Thom e and Shak ir关联式对混合工质HFC23/CFC13的传热系数预测较准确,预测值与实验值之差≤±20%。     

原子尺寸对Lennard-Jones液体玻璃转变过程中动力学不均匀性的影响

采用分子动力学模拟技术,通过对非高斯参数α_2(t)、粘度η等动力学参数的计算探究了原子尺寸对Lennard-Jones(LJ)液体在玻璃转变过程中动力学不均匀性的影响.结果表明在玻璃转变温度T_g附近,原子尺寸越小,粘度值增加越显著,且粘度随温度的变化满足Vogel–Fulcher–Tammann (VFT)方程;β弛豫阶段的非高斯参数α_2(t)与时间的关系满足幂律函数,且随着原子尺寸的减小动力学不均匀性越来越明显.     

液滴溅落问题的光滑粒子动力学模拟

对传统的光滑粒子动力学方法进行了改进, 改进的光滑粒子动力学方法对传统粒子方法中的核近似式和粒子近似式进行了修正, 采用Riemann 算法求解光滑粒子动力学流体控制方程, 添加了表面张力的计算程序, 考虑了表面张力对液滴溅落的影响. 应用改进的光滑粒子动力学方法对液滴静止状态下冲击液面的飞溅过程进行了数值模拟. 计算结果表明, 改进的光滑粒子动力学方法能够有效地描述液滴溅落液面的动力学特性和自由表面变化特征, 能够得到稳定精度的结果.     

Critical heat flux enhancement of pool boiling using a porous nanostructured coating

Surface coating techniques are commonly used to increase heat transfer and control critical heat flux. In this research, we used anodizing—an electrochemical coating process—to coat an aluminum oxide layer on the aluminum plain surface. This porous nanostructured coating has uniform, cylindrical, parallel nanochannels, and closed end pores. Next, we conducted saturated pool boiling tests on the anodized samples, using deionized water and the CHFs were measured. We found that porous nanostructured coatings, due to their improved surface characteristics, particularly wettability, increased CHF values and also critical heat flux increased linearly with decreasing the contact angle.     

二元Lennard-Jones液体的相分离过程及其扩散性质的分子动力学研究

采用分子动力学(MD)模拟方法,研究了二元体系中相分离过程、粒子的扩散系数以及相分离域尺寸大小随温度的变化规律.发现,相分离域随温度的生长过程可以分为两个阶段,分别是温度比较高的快速生长阶段和低温时的稳定生长阶段;相分离体系中系统的扩散激活能不是常数,而是一个随温度变化的函数,并且当温度高于60 K时,满足关系式E(T)=a+bT^c.讨论了组元尺寸的变化对相分离过程的影响.结果表明,随两组元中某一组元 关键词： 相分离 扩散 分子动力学模拟     

液滴冲击液膜问题的光滑粒子动力学模拟

本文对传统的光滑粒子动力学方法进行了改进．改进的光滑粒子动力学方法对传统粒子方法中的核梯度进行了修正,采用了一种新型的耦合边界条件,添加了表面张力和人工应力的计算程序．应用改进的光滑粒子动力学方法对液滴冲击液膜问题进行了数值模拟．得到了不同时刻液滴内部的压力变化特征,精细地捕捉了不同时刻的自由面,从机理上分析了液滴产生飞溅的条件,探讨了韦伯数,表面张力对液滴冲击液膜问题的影响．计算结果表明,改进光滑粒子动力学方法能够有效地描述液滴冲击液膜的动力学特性和自由表面变化特征,能够得到稳定精度的结果．     

低温流体在多孔表面的池沸腾研究综述

低温流体尤其是液氮在航天、电子冷却、低温生物医疗与超导磁体与电缆等领域有着广泛的应用.文中对光滑与多孔表面上的流体核态沸腾换热与临界热流密度的研究进行了归纳;总结了低温流体池沸腾的研究现状;比较了低温流体与常见制冷剂以及水在物性上的主要差异;综合分析了加热表面材料、多孔层厚度、孔隙率、烧结颗粒直径、平均孔隙直径与压力等...     

液氮流动沸腾换热研究综述

作为一种优良的低温冷却剂,液氮在航天、电子工业、超导磁体和超导电缆冷却及低温生物医疗等领域应用广泛。在这些应用中,准确预测液氮的流动沸腾换热特性对于系统设计和安全运行十分重要。该文主要介绍了液氮流动沸腾换热的特点,对已有的实验和数值模拟结果进行了归纳;并比较了四个液氮流动沸腾换热计算关联式的预测情况,以及关联式中干度、质量流量、热流密度和压力对换热系数的影响;指出了有待进一步研究的课题。