描述离散系统动力学演变的Monte Carlo方法分析

通用动力学方程通过描述离散系统中颗粒尺度分布的演变过程来量化颗粒动力学演变过程,而Monte Carlo(MC)算法是求解通用动力学方程的重要方法.目前几种主流的MC算法为Liffman的直接模拟Monte Carlo算法(DSMC)、阶梯式常体积法、常数目法和多重Monte Carlo(MMC)算法.利用这些MC算法描述理想的纯凝并工况和纯破碎工况,发现:由于避免了多个动力学事件之间的解耦过程,基于事件驱动的MC算法比基于时间驱动的MC算法具有更高的计算精度和更低的计算代价;由于尽量减少对整体系统的扰动,阶梯式恢复模拟颗粒数目的MC算法比连续式恢复模拟颗粒数目的MC算法具有更高的精度;由于始终保持计算区域体积,多重Monte Carlo算法具有更友好的扩展性.     

平面射流场中纳米颗粒的成核与凝并

采用大涡模拟和直接积分矩方法,数值模拟了在Reynolds数为8300的平面射流中,水蒸气（相对湿度φ=70%）和硫酸蒸气（质量分数为5×10^-6）二元体系中纳米颗粒的成核与凝并,详细分析了颗粒数密度、体积密度和平均粒径的分布.计算结果表明.射流场混合动量厚度的增长和实验结果一致;射流场的拟序结构导致了涡核中心处硫酸蒸气浓度的明显减小,而纳米颗粒数密度则明显增加;拟序结构的出现导致颗粒碰撞概率增大,提高了颗粒凝并效率;在颗粒数密度较大的涡核中心,颗粒成核作用增强,从而加 关键词： 纳米颗粒 成核 凝并 平面射流     

基于散射光偏振分布差的颗粒尺寸及折射率测量

提出一种基于颗粒散射光强正交分布差的颗粒尺寸和折射率同时测量方法.该方法利用颗粒散射光的垂直/平行分量和预设折射率,通过改进的Chahine算法反演得到粒径分布.根据所得粒径分布,计算得到平行/垂直分量,并与测量的平行/垂直分量比对,计算其拟合残差.遍历可能的折射率,使拟合残差趋于无穷小时,所对应的折射率即为颗粒的折射率,对应的粒度分布即为样品粒度分布.对聚丙乙烯标准颗粒、碳化硅及石墨样品进行测量,测量结果显示:对无吸收颗粒,折射率测量准确,吸收性颗粒虚部测量准确,使用所得到折射率测量值可得到准确的粒度分布.     

颗粒体侵彻数值计算方法研究

分别采用连续体有限元方法、离散元方法、离散颗粒有限元方法和有限元-离散元混合方法,对钢球以100 m/s和200 m/s的速度侵彻细沙石回收靶过程进行了数值计算,通过对4种方法的计算精度和计算效率的比较分析,表明有限元-离散元方法更适合于颗粒材料侵彻问题的数值计算。     

非球形颗粒布朗运动的涨落-格子Boltzmann数值研究

采用涨落-格子Boltzmann方法对非球形颗粒(二维)的布朗运动进行直接数值模拟.数值结果包括椭圆形、矩形颗粒的速度均方值及速度自相关函数等.研究发现,对于非球形颗粒,其方向性并没有影响能量均分原理的适用性,每个自由度的能量由其速度或角速度的均方值确定,而且计算的颗粒平动温度和转动温度一致.此外,颗粒的速度自相关函数在相对长的时间内以~ct^-1的规律衰减,其系数c与颗粒的形状无关.     

椭圆截面非球形颗粒群的多重光散射

尽管非球形下一些特殊形状颗粒的单散射已被得到,球形多颗粒系（颗粒群）的多重散射也被研究,但至今仍未得到非球形颗粒群的多重散射.文中建立了一类椭圆截面非球形颗粒模型,求得其散射相位函数,借助于辐射传播方程,考虑形状及大小分布,得到了该类颗粒群的多重光散射.在两种特例情况下的结果能与已有的结果符合较好,说明了方法的可靠性.计算分析表明：非球形颗粒群的多重散射光强角分布要比球形颗粒平坦.椭圆截面颗粒的粒度或形状参数越大,多重散射光越集中于小的散射角;粒度分布或形状分布越宽,多重散射光强的角分布越平坦.随着光学厚 关键词： 多重光散射 颗粒 非球形 椭圆截面     

银纳米颗粒减反射特性的理论研究

为增强晶体硅太阳电池的光利用效率,提高光电转换效率,研究了金属银纳米颗粒的光学散射性质.基于银纳米粒子表面等离子激元效应和MIE散射理论,采用Matlab数值计算,理论分析了不同银纳米颗粒尺寸和银粒子分布密度对太阳光谱各波长的散射特性.获得了实现高的光透过率所需最佳银纳米颗粒半径范围,研究发现随着银纳米颗粒半径增加,偶极峰红移、高极峰逐渐出现.定量地给出了最佳颗粒分布密度随银粒子半径的变化规律,建立了计算减反射膜透射率的理论方法,找到了银纳米颗粒光学透过率的简单函数表达式,能为实验研究提供理论指导. 关键词： 银纳米颗粒 透过率 MIE理论 太阳电池     

从散射谱反演颗粒尺寸分布的测试方法改进

针对从散射谱反演颗粒尺寸分布测量中,由于衍射近似要求近前向取值而带来的反演噪声问题,提出了一种改进的方法.在Chin-Shifrin(C-S)积分变换反演中,插入一种调节函数使得噪声基本消失,又不至于影响反演谱的分布峰位置.对理想单分散颗粒群的模拟效果说明了该法的可行性.对以线阵CCD为接受器件的实验测量和反演结果显示...     

基于改进的二维指数熵及混沌粒子群的阈值分割

鉴于现常用的灰度级—平均灰度级二维直方图区域划分存在明显的不足,提出了基于灰度级—梯度二维直方图的指数熵阈值选取方法,给出了基于改进的二维直方图的指数熵阈值选取公式,并利用混沌粒子群优化算法寻找最佳分割阈值,采用递推方式降低迭代过程中适应度函数的计算代价。实验结果表明,与现有的有关算法相比,该方法不仅使分割后的图像区域内部更均匀、边界形状更准确、特征细节更清晰,而且使计算效率及粒子群的收敛精度得到提高。     

基于改进颗粒凝结方程模拟生长管内微细颗粒凝并与脱除

微细颗粒严重危害人类健康与环境,针对湿法烟气脱硫系统后烟气中微细颗粒浓度不降反升,湿式相变凝并技术是脱除烟气中微细颗粒物的新技术。本文首先考虑颗粒性质的不同以及颗粒与载流气体的速度差造成颗粒凝结长大速率不同,改进了颗粒凝结长大解析式并建立了颗粒凝并长大数学模型;其次,在普通生长管中加装两层旋流装置,以增加颗粒的离心力与烟气湍流强度;最后,采用CFD方法对普通生长管与旋流生长管流场进行数值模拟。结果表明:采用改进后的颗粒凝并长大数学模型能更准确地模拟生长管内微细颗粒凝并长大特性,模拟结果为试验测量值的88.2%,比原数学模型模拟精度提高了 11.3%;对比旋流生长管与普通生长管,烟气在旋流生长管内不仅停留时间长,而且可以获得较高且均匀的过饱和度,有效促进了微细颗粒凝并长大;旋流生长管对微细颗粒的数量浓度脱除效率高达65.8%。     

Modeling of soot aggregate formation and size distribution in a laminar ethylene/air coflow diffusion flame with detailed PAH chemistry and an advanced sectional aerosol dynamics model

Soot aggregate formation and size distribution in a laminar ethylene/air coflow diffusion flame is modeled with a PAH-based soot model and an advanced sectional aerosol dynamics model. The mass range of solid soot phase is divided into 35 discrete sections and two variables are solved for in each section. The coagulation kernel of soot aggregates is calculated for the entire Knudsen number regime. Radiation from gaseous species and soot are calculated by a discrete-ordinate method with a statistical narrow-band correlated-k based band model. The discretized sectional soot equations are solved simultaneously to ensure convergence. Parallel computation with the domain decomposition method is used to save computational time. The flame temperature, soot volume fraction, primary particle size and number density are well reproduced. The number of primary particles per aggregate is overpredicted. This discrepancy is presumably associated with the unitary coagulation efficiency assumption in the current sectional model. Along the maximum soot volume fraction pathline, the number-based and mass-based aggregate size distribution functions are found to evolve from unimodal to bimodal and finally to unimodal again. The different shapes of these two aggregate size distribution functions indicate that the total number and mass of aggregates are dominated by aggregates of different sizes. The PAH-soot condensation efficiency γ is found to have a small effect on soot formation when γ is larger than 0.5. However, the soot level and primary particle number density are significantly overpredicted if the PAH-soot condensation process is neglected. Generally, larger γ predicts lower soot level and primary particle number density. Further study on soot aggregate coagulation efficiency should be pursued and more experimental data on soot aggregate structure and size distribution are needed for improving the current sectional soot model and for better understanding the complex soot aggregation phenomenon.     

Research on bimodal particle extinction coefficient during Brownian coagulation and condensation for the entire particle size regime

The extinction coefficient of atmospheric aerosol particles influences the earth’s radiation balance directly or indirectly, and it can be determined by the scattering and absorption characteristics of aerosol particles. The problem of estimating the change of extinction coefficient due to time evolution of bimodal particle size distribution is studied, and two improved methods for calculating the Brownian coagulation coefficient and the condensation growth rate are proposed, respectively. Through the improved method based on Otto kernel, the Brownian coagulation coefficient can be expressed simply in powers of particle volume for the entire particle size regime based on the fitted polynomials of the mean enhancement function. Meanwhile, the improved method based on Fuchs–Sutugin kernel is developed to obtain the condensation growth rate for the entire particle size regime. And then, the change of the overall extinction coefficient of bimodal distributions undergoing Brownian coagulation and condensation can be estimated comprehensively for the entire particle size regime. Simulation experiments indicate that the extinction coefficients obtained with the improved methods coincide fairly well with the true values, which provide a simple, reliable, and general method to estimate the change of extinction coefficient for the entire particle size regime during the bimodal particle dynamic processes.     

A differentially weighted Monte Carlo method for two-component coagulation

The direct simulation Monte Carlo (DSMC) method for population balance modeling is capable of retaining the history of each simulation particle and is thus able to deal with multivariate properties in a simple and straightforward manner. As opposed to conventional DSMC approaches that track equally weighted simulation particles, a differentially weighted Monte Carlo method is extended to simulate two-component coagulation processes and is thereby able to simulate the micromixing of the components. A new feature of the method for this bivariate population balance modeling is that it is possible to specify how the simulation particles are distributed over the compositional axis. This allows us to obtain information about particles in those regions of the size and composition distribution functions where the non-weighted MC methods place insufficient simulation particles to obtain an inaccurate solution. The new feature results in lower statistical noise for simulating two-component coagulation, which is validated by using two-component coagulation cases for which analytical solutions exist (a discrete process with sum kernel for initial monodisperse populations and a process with constant kernel for initial polydisperse populations).     

基于PI调节占空比的自适应MPPT方法

最大功率点跟踪(MPPT)技术是提高光伏发电效率的重要途径之一。扰动观测法是MPPT控制中最常用的方法,针对其无法兼顾跟踪速度与最大功率点跟踪过程的震荡问题,提出了一种基于PI调节占空比的自适应MPPT方法,该方法针对占空比采用基于PI调节的自适应策略。通过Simulink建模仿真,与其他方法进行对比分析,结果显示了该方法可显著地提高了最大功率点跟踪的速度与精度。     

The collision efficiency of spherical dioctyl phthalate aerosol particles in the Brownian coagulation

The collision efficiency in the Brownian coagulation is investigated. A new mechanical model of collision between two identical spherical particles is proposed, and a set of corresponding collision equations is established. The equations are solved numerically, thereby obtaining the collision efficiency for the monodisperse dioctyl phthalate spherical aerosols with diameters ranging from 100 to 760 nm in the presence of van der Waals force and the elastic deformation force. The calculated collision efficiency, in agreement with the experimental data qualitatively, decreases with the increase of particle diameter except a small peak appearing in the particles with a diameter of 510 nm. The results show that the interparticle elastic deformation force cannot be neglected in the computation of particle Brownian coagulation. Finally, a set of new expressions relating collision efficiency to particle diameter is established.     

Coarse-grained computation for particle coagulation and sintering processes by linking Quadrature Method of Moments with Monte-Carlo

The study of particle coagulation and sintering processes is important in a variety of research studies ranging from cell fusion and dust motion to aerosol formation applications. These processes are traditionally simulated using either Monte-Carlo methods or integro-differential equations for particle number density functions. In this paper, we present a computational technique for cases where we believe that accurate closed evolution equations for a finite number of moments of the density function exist in principle, but are not explicitly available. The so-called equation-free computational framework is then employed to numerically obtain the solution of these unavailable closed moment equations by exploiting (through intelligent design of computational experiments) the corresponding fine-scale (here, Monte-Carlo) simulation. We illustrate the use of this method by accelerating the computation of evolving moments of uni- and bivariate particle coagulation and sintering through short simulation bursts of a constant-number Monte-Carlo scheme.     

非等温非牛顿黏性流体流动问题的修正光滑粒子动力学方法模拟

为准确、有效地模拟非等温非牛顿黏性流体的流动问题,本文基于一种不含核导数计算的核梯度修正格式和不可压缩条件给出了一种改进光滑粒子动力学(SPH)离散格式,它较传统SPH离散格式具有较高精度和较好稳定性.同时,为准确地描述温度场的演化过程,建立了非牛顿黏性的SPH温度离散模型.通过对等温Poiseuille流、喷射流和非等温Couette流、4:1收缩流进行模拟,并与其他数值结果作对比,分别验证了改进SPH方法模拟非牛顿黏性流动问题的可靠性和提出的SPH温度离散模型求解非等温流动问题的有效性和准确性.随后,运用改进SPH方法结合SPH温度离散模型对环形腔和C形腔内非等温非牛顿黏性流体的充模过程进行了试探性模拟研究,分析了数值模拟的收敛性,讨论了不同位置处热流参数对温度和流动的影响.     

弹性力学的插值型重构核粒子法

采用具有离散点插值特性的重构核粒子法形函数, 较精确地重构弹性体 变形的位移试函数, 再与弹性力学的最小势能原理相结合, 形成新的分析弹性力 学平面问题的插值型重构核粒子法. 由于插值型重构核粒子法形函数具有点插值特性和不低于核函数 的高阶光滑性, 因而既克服了多数无网格方法处理本质边界条件的困难, 也保证了较高的数值精度. 与早期的无网格方法相比, 本方法具有精度高、解题规模较小、可直接施加边界条件等优点. 通过对典型弹性力学问题数值模拟, 验证了所提方法的有效性和正确性.     

轴对称构件受力分析的插值粒子法

面对土木工程与机械工程中广泛存在的轴对称力学问题, 采用具有离散点插值特性的无网格方法形函数, 结合弹性力学空间轴对称问题的最小势能原理, 建立了轴对称构件力学分析的插值粒子法. 本文无网格法方法构造形函数不依赖网格, 也具有像有限元法一样可直接施加边界条件的优点. 本方法能直接获得全域连续应力场, 避免了有限元法应力后处理二次拟合带来的计算误差. 最后通过实例分析, 验证了所建立的无网格方法的有效性.     

基于不可压缩光滑粒子动力学的黏性液滴变形过程仿真

应用基于投影算法的不可压缩光滑粒子动力学(incompressible smoothed particle hydrodynamics, ISPH)法对黏性液滴变形过程进行了数值仿真. 对于张力失稳导致的粒子非物理簇集问题, 采用粒子移位技术加以解决. 为了验证本文ISPH 算法的精度和稳定性, 分别模拟了圆形黏性液滴的拉伸变形过程以及方形液滴的旋转变形过程, 得到了不同时刻液滴内部的压力变化特征, 准确地捕捉了液滴自由面演化过程, 并将数值计算结果与文献中的解析解进行了比较.分析结果表明, 基于投影算法的不可压缩光滑粒子动力学方法结合粒子移位技术, 能够有效地模拟黏性液滴变形过程, 可以得到精确和稳定的结果. 关键词： 不可压缩光滑粒子动力学 黏性液滴 自由面流动 数值仿真