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A particle-continuum hybrid framework for transport phenomena and chemical reactions in multicomponent systems at the micro and nanoscale
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Alexiadis, Alessio, Lockerby, Duncan A., Borg, Matthew K. and Reese, Jason M. (2015) A particle-continuum hybrid framework for transport phenomena and chemical reactions in multicomponent systems at the micro and nanoscale. Journal of Heat Transfer, 137 (9). 091010. doi:10.1115/1.4030223 ISSN 0022-1481.
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Official URL: http://dx.doi.org/10.1115/1.4030223
Abstract
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.
Item Type: | Journal Article | ||||||
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Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering | ||||||
Journal or Publication Title: | Journal of Heat Transfer | ||||||
Publisher: | ASME International | ||||||
ISSN: | 0022-1481 | ||||||
Official Date: | 1 September 2015 | ||||||
Dates: |
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Volume: | 137 | ||||||
Number: | 9 | ||||||
Article Number: | 091010 | ||||||
DOI: | 10.1115/1.4030223 | ||||||
Status: | Peer Reviewed | ||||||
Publication Status: | Published | ||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||
Funder: | Engineering and Physical Sciences Research Council (EPSRC) | ||||||
Grant number: | EP/I011927/1 |
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