The particle-continuum hybrid Laplacian method is extended as a framework for modeling all transport phenomena in fluids at the micro and nanoscale including multicomponent 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.
A Particle-Continuum Hybrid Framework for Transport Phenomena and Chemical Reactions in Multicomponent Systems at the Micro and Nanoscale
Manuscript received March 13, 2014; final manuscript received February 7, 2015; published online May 14, 2015. Assoc. Editor: L.Q. Wang.
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Alexiadis, A., Lockerby, D. A., Borg, M. K., and Reese, J. M. (September 1, 2015). "A Particle-Continuum Hybrid Framework for Transport Phenomena and Chemical Reactions in Multicomponent Systems at the Micro and Nanoscale." ASME. J. Heat Transfer. September 2015; 137(9): 091010. https://doi.org/10.1115/1.4030223
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