Low Mach Number Fluctuating Hydrodynamics of Diffusively Mixing Fluids

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2012-12-11 DOI:10.2140/camcos.2014.9.47
A. Donev, A. Nonaka, Yifei Sun, T. Fai, Alejandro L. Garcia, J. Bell
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引用次数: 51

Abstract

We formulate low Mach number fluctuating hydrodynamic equations appropriate for modeling diffusive mixing in isothermal mixtures of fluids with different density and transport coefficients. These equations eliminate the fluctuations in pressure associated with the propagation of sound waves by replacing the equation of state with a local thermodynamic constraint. We demonstrate that the low Mach number model preserves the spatio-temporal spectrum of the slower diffusive fluctuations. We develop a strictly conservative finite-volume spatial discretization of the low Mach number fluctuating equations in both two and three dimensions and construct several explicit Runge-Kutta temporal integrators that strictly maintain the equation of state constraint. The resulting spatio-temporal discretization is second-order accurate deterministically and maintains fluctuation-dissipation balance in the linearized stochastic equations. We apply our algorithms to model the development of giant concentration fluctuations in the presence of concentration gradients, and investigate the validity of common simplifications such as neglecting the spatial non-homogeneity of density and transport properties. We perform simulations of diffusive mixing of two fluids of different densities in two dimensions and compare the results of low Mach number continuum simulations to hard-disk molecular dynamics simulations. Excellent agreement is observed between the particle and continuum simulations of giant fluctuations during time-dependent diffusive mixing.
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扩散混合流体的低马赫数波动流体力学
我们建立了适合于模拟不同密度和输运系数的等温混合流体扩散混合的低马赫数波动流体动力学方程。这些方程通过用局部热力学约束代替状态方程,消除了与声波传播相关的压力波动。我们证明了低马赫数模型保留了较慢扩散波动的时空谱。建立了低马赫数波动方程在二维和三维的严格保守有限体积空间离散化方法,并构造了几个严格保持状态约束方程的显式龙格-库塔时间积分器。所得到的时空离散化在确定性上是二阶精确的,并且在线性化的随机方程中保持涨落耗散平衡。我们应用我们的算法来模拟存在浓度梯度的巨大浓度波动的发展,并研究了常见简化的有效性,例如忽略密度和输运性质的空间非均匀性。本文对两种不同密度流体的扩散混合进行了二维模拟,并将低马赫数连续体模拟结果与硬盘分子动力学模拟结果进行了比较。在随时间扩散混合过程中,粒子和连续体的巨大波动模拟非常一致。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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