Efficient Monte Carlo simulations of coagulation based on weighted particle strategies

IF 4.2 2区 工程技术 Q2 ENGINEERING, CHEMICAL
Yongjie Chen , Muhao Chen , Xi Xia , James C. Hermanson , Fei Qi
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Abstract

In this paper, a class of efficient Monte Carlo methods based on weighted particle strategies for solving the coagulation population balance equation is presented. The adjustable coagulation resolution strategy is developed from probabilistic coagulation theories for general conditions. The particle reconstruction scheme accelerates simulations and reduces errors. Three components of the methods have been verified and validated against several benchmark coagulation scenarios with analytical solutions and a conventional constant-number method. The two methods, using stepwise-constant and size-dependent coagulation resolution, offer superior performance to the constant-number method in resolving regions with large and rare particles and higher-order moments without sacrificing computational efficiency. Moreover, the computation precision of both methods is significantly higher than the conventional methods, as the proposed method’s precision is proportional to the square root of the total number of coagulation events rather than being dependent on the computational particle number used by conventional methods.

Abstract Image

基于加权粒子策略的高效混凝蒙特卡罗模拟
本文提出了一类基于加权粒子策略的高效蒙特卡罗方法来求解混凝种群平衡方程。可调混凝解决策略是从一般条件下的概率混凝理论发展而来的。粒子重建方案加快了仿真速度,减小了误差。方法的三个组成部分已经通过解析解和常规常数法在几种基准混凝情况下进行了验证和验证。在不牺牲计算效率的情况下,这两种方法分别使用逐步常数和尺寸依赖的混凝分辨率,在解决具有大颗粒和稀有粒子和高阶矩的区域方面,提供了比常数方法更好的性能。此外,两种方法的计算精度都明显高于常规方法,因为所提出的方法的精度与凝聚事件总数的平方根成正比,而不是依赖于传统方法使用的计算粒子数。
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来源期刊
Advanced Powder Technology
Advanced Powder Technology 工程技术-工程:化工
CiteScore
9.50
自引率
7.70%
发文量
424
审稿时长
55 days
期刊介绍: The aim of Advanced Powder Technology is to meet the demand for an international journal that integrates all aspects of science and technology research on powder and particulate materials. The journal fulfills this purpose by publishing original research papers, rapid communications, reviews, and translated articles by prominent researchers worldwide. The editorial work of Advanced Powder Technology, which was founded as the International Journal of the Society of Powder Technology, Japan, is now shared by distinguished board members, who operate in a unique framework designed to respond to the increasing global demand for articles on not only powder and particles, but also on various materials produced from them. Advanced Powder Technology covers various areas, but a discussion of powder and particles is required in articles. Topics include: Production of powder and particulate materials in gases and liquids(nanoparticles, fine ceramics, pharmaceuticals, novel functional materials, etc.); Aerosol and colloidal processing; Powder and particle characterization; Dynamics and phenomena; Calculation and simulation (CFD, DEM, Monte Carlo method, population balance, etc.); Measurement and control of powder processes; Particle modification; Comminution; Powder handling and operations (storage, transport, granulation, separation, fluidization, etc.)
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