A particle-continuum hybrid framework for transport phenomena and chemical reactions in multicomponent systems at the micro and nanoscale
Research output: Contribution to journal › Article › peer-review
Authors
Colleges, School and Institutes
External organisations
- THE UNIVERSITY OF WARWICK
- STRATHCLYDE UNIVERSITY
- EDINBURGH UNIVERSITY
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.
Details
Original language | English |
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Article number | 091010 |
Journal | Journal of Heat Transfer |
Volume | 137 |
Issue number | 9 |
Early online date | 14 May 2015 |
Publication status | Published - 1 Sep 2015 |
Keywords
- atomistic-continuum hybrid methods, computational fluid dynamics, heat transfer, microfluidics, molecular dynamics, nanofluidics