Optimal fluid stretching for mixing-limited reactions in rough channel flows
We study the reactive displacement of two miscible fluids in channel flows and establish a quantitative link between fluid stretching and chemical reactivity. At the mixing interface, the two fluids react according to the instantaneous irreversible bimolecular reaction A+B→C . We simulate the advection–diffusion–reaction problem using a random walk based reactive particle method that is free of numerical dispersion. The relative contributions of stretching and diffusion to mixing-limited reaction is controlled by changing the Péclet number, and the channel roughness is also systematically varied. We observe optimal ranges of fluid stretching that maximize reactivity, which are captured by a Lagrangian stretching measure based on an effective time period that honours the stretching history. We show that the optimality originates from the competition between the enhanced mixing by fluid stretching and the mass depletion of the reactants. We analytically derive the spatial distribution of reaction products using a lamellar formulation and successfully predict the optimal ranges of fluid stretching, which are consistent across different levels of channel roughness. These findings provide a mechanistic understanding of how the interplay between fluid stretching, diffusion and channel roughness controls mixing-limited reactions in rough channel flows, and show how reaction hot spots can be predicted from the concept of optimal fluid stretching.
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Cambridge University Press
2021-04-14
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Subjects: | Porous media, Mixing and dispersion, Laminar reacting flows, |
Online Access: | http://hdl.handle.net/10261/240419 http://dx.doi.org/10.13039/501100000781 |
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dig-idaea-es-10261-2404192021-05-12T01:29:20Z Optimal fluid stretching for mixing-limited reactions in rough channel flows Yoon, Seon Dentz, Marco Kang, Peter K. European Research Council Dentz, Marco [0000-0002-3940-282X] Porous media Mixing and dispersion Laminar reacting flows We study the reactive displacement of two miscible fluids in channel flows and establish a quantitative link between fluid stretching and chemical reactivity. At the mixing interface, the two fluids react according to the instantaneous irreversible bimolecular reaction A+B→C . We simulate the advection–diffusion–reaction problem using a random walk based reactive particle method that is free of numerical dispersion. The relative contributions of stretching and diffusion to mixing-limited reaction is controlled by changing the Péclet number, and the channel roughness is also systematically varied. We observe optimal ranges of fluid stretching that maximize reactivity, which are captured by a Lagrangian stretching measure based on an effective time period that honours the stretching history. We show that the optimality originates from the competition between the enhanced mixing by fluid stretching and the mass depletion of the reactants. We analytically derive the spatial distribution of reaction products using a lamellar formulation and successfully predict the optimal ranges of fluid stretching, which are consistent across different levels of channel roughness. These findings provide a mechanistic understanding of how the interplay between fluid stretching, diffusion and channel roughness controls mixing-limited reactions in rough channel flows, and show how reaction hot spots can be predicted from the concept of optimal fluid stretching. S.Y. and P.K.K. acknowledge a grant from Korea Environment Industry and Technology Institute (KEITI) through Subsurface Environmental Management (SEM) Project (2020002440002), funded by the Korea Ministry of Environment (MOE). P.K.K. acknowledges MnDRIVE Advancing Industry, Conserving Our Environment at the University of Minnesota. M.D. acknowledges funding of the European Research Council (ERC) through the project MHetScale (contract number 617511), and the Spanish Research Agency (AEI) through the project HydroPore (contract number PID2019-106887GB-C31). We thank the Minnesota Supercomputing Institute (MSI) at the University of Minnesota for computational resources and support. Peer reviewed 2021-05-11T09:58:59Z 2021-05-11T09:58:59Z 2021-04-14 artículo http://purl.org/coar/resource_type/c_6501 Journal of Fluid Mechanics 916: A45 (2021) http://hdl.handle.net/10261/240419 10.1017/jfm.2021.208 http://dx.doi.org/10.13039/501100000781 en #PLACEHOLDER_PARENT_METADATA_VALUE# info:eu-repo/grantAgreement/EC/H2020/617511 Publisher's version 10.1017/jfm.2021.208 Sí open Cambridge University Press |
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Porous media Mixing and dispersion Laminar reacting flows Porous media Mixing and dispersion Laminar reacting flows |
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Porous media Mixing and dispersion Laminar reacting flows Porous media Mixing and dispersion Laminar reacting flows Yoon, Seon Dentz, Marco Kang, Peter K. Optimal fluid stretching for mixing-limited reactions in rough channel flows |
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We study the reactive displacement of two miscible fluids in channel flows and establish a quantitative link between fluid stretching and chemical reactivity. At the mixing interface, the two fluids react according to the instantaneous irreversible bimolecular reaction A+B→C . We simulate the advection–diffusion–reaction problem using a random walk based reactive particle method that is free of numerical dispersion. The relative contributions of stretching and diffusion to mixing-limited reaction is controlled by changing the Péclet number, and the channel roughness is also systematically varied. We observe optimal ranges of fluid stretching that maximize reactivity, which are captured by a Lagrangian stretching measure based on an effective time period that honours the stretching history. We show that the optimality originates from the competition between the enhanced mixing by fluid stretching and the mass depletion of the reactants. We analytically derive the spatial distribution of reaction products using a lamellar formulation and successfully predict the optimal ranges of fluid stretching, which are consistent across different levels of channel roughness. These findings provide a mechanistic understanding of how the interplay between fluid stretching, diffusion and channel roughness controls mixing-limited reactions in rough channel flows, and show how reaction hot spots can be predicted from the concept of optimal fluid stretching. |
author2 |
European Research Council |
author_facet |
European Research Council Yoon, Seon Dentz, Marco Kang, Peter K. |
format |
artículo |
topic_facet |
Porous media Mixing and dispersion Laminar reacting flows |
author |
Yoon, Seon Dentz, Marco Kang, Peter K. |
author_sort |
Yoon, Seon |
title |
Optimal fluid stretching for mixing-limited reactions in rough channel flows |
title_short |
Optimal fluid stretching for mixing-limited reactions in rough channel flows |
title_full |
Optimal fluid stretching for mixing-limited reactions in rough channel flows |
title_fullStr |
Optimal fluid stretching for mixing-limited reactions in rough channel flows |
title_full_unstemmed |
Optimal fluid stretching for mixing-limited reactions in rough channel flows |
title_sort |
optimal fluid stretching for mixing-limited reactions in rough channel flows |
publisher |
Cambridge University Press |
publishDate |
2021-04-14 |
url |
http://hdl.handle.net/10261/240419 http://dx.doi.org/10.13039/501100000781 |
work_keys_str_mv |
AT yoonseon optimalfluidstretchingformixinglimitedreactionsinroughchannelflows AT dentzmarco optimalfluidstretchingformixinglimitedreactionsinroughchannelflows AT kangpeterk optimalfluidstretchingformixinglimitedreactionsinroughchannelflows |
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1777669526495690752 |