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Extending a hybrid continuum-molecular simulation method to solve the micro/nanoscale gas mixing problems

Sabouri, M ; Sharif University of Technology | 2018

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  1. Type of Document: Article
  2. DOI: 10.1115/FEDSM2018-83454
  3. Publisher: American Society of Mechanical Engineers (ASME) , 2018
  4. Abstract:
  5. Despite vast efforts in developing hybrid continuum-molecular methods, there has been no specific work focused on the gas mixture flow simulations including the mixing and/or separation of species. In present study, we extend a hybrid method to analyze such phenomena suitably and study the gas mixing problems in micro/nano length scales reliably. The results of current hybrid simulations are compared against the results of full-molecular simulations to evaluate the physical accuracy of developed hybrid method. The effect of continuum breakdown criterion is investigated to find out the achieved accuracy of developed hybrid simulation method from different perspectives. The current results indicate that using a reasonable breakdown parameter can result in very good physical accuracy. The results also indicate that using the hybrid simulation can be quite effective to avoid the statistical fluctuations, which are inherent to the molecular simulation methods. © 2018 American Society of Mechanical Engineers (ASME). All right reserved
  6. Keywords:
  7. Gases ; Machinery ; Mixing ; Molecular structure ; Multiphase flow ; Statistical mechanics ; Gas mixture flows ; Hybrid method ; Hybrid simulation ; Micro/nano-scale ; Molecular methods ; Molecular simulations ; Specific works ; Statistical fluctuations ; Numerical methods
  8. Source: ASME 2018 5th Joint US-European Fluids Engineering Division Summer Meeting, FEDSM 2018, 15 July 2018 through 20 July 2018 ; Volume 3 , 2018 ; 08888116 (ISSN); 9780791851579 (ISBN)
  9. URL: https://asmedigitalcollection.asme.org/FEDSM/proceedings-abstract/FEDSM2018/51579/V003T21A008/272211