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首页> 外文期刊>Journal of Heat Transfer >A Particle-Continuum Hybrid Framework for Transport Phenomena and Chemical Reactions in Multicomponent Systems at the Micro and Nanoscale
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A Particle-Continuum Hybrid Framework for Transport Phenomena and Chemical Reactions in Multicomponent Systems at the Micro and Nanoscale

机译:一个微粒-连续体混合框架,用于在微观和纳米尺度上多组分系统中的传输现象和化学反应。

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摘要

The particle-continuum hybrid Laplacian method is extended as a framework for modeling all transport phenomena in fluids at the micro and nanoscale including multi-component mass transfer and chemical reactions. The method is explained, and the micro-to-macro and macro-to-micro coupling steps are discussed. Two techniques for noise reduction (namely, the bonsai box (BB) and the seamless strategy) are discussed. Comparisons with benchmark full-molecular dynamics (MD) cases for micro and nano thermal and reacting flows show excellent agreement and good computational efficiency.
机译:粒子-连续体混合拉普拉斯方法被扩展为用于建模流体在微观和纳米尺度上的所有传输现象的框架,包括多组分传质和化学反应。解释了该方法,并讨论了微-宏和宏-微耦合步骤。讨论了两种降噪技术(即盆景框(BB)和无缝策略)。与基准全分子动力学(MD)案例进行的微观和纳米热流和反应流的比较显示出极好的一致性和良好的计算效率。

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