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Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes

Journal Article · · Water Resources Research
DOI:https://doi.org/10.1029/2023wr034894· OSTI ID:2420936
 [1];  [2]
  1. Department of Energy Resources Engineering Stanford University Stanford CA USA; OSTI
  2. Department of Energy Resources Engineering Stanford University Stanford CA USA

Abstract

In this second part of the two paper series, we detail an algorithmic procedure for systematically implementing the generalized closure form strategy presented in Part 1. This strategy extends the applicability of homogenized models with respect to classical homogenization theory, as demonstrated in Part 1 where upscaled models are rigorously derived in moderately reactive physical regimes. After encoding the algorithm into Symbolica, an automated upscaling framework, we upscale two reactive mass transport problems and numerically validate the resulting nonlinear homogenized models by showing the absolute error estimates predicted by homogenization theory are satisfied. In both problems, nontrivial closure forms and closure problems are automatically formulated using the encoded strategy with no human interaction, nor prior knowledge regarding the closure required for the systems. We hope these demonstrations spark further interest in automated analytical frameworks for multiscale modeling, as such capabilities are invaluable for generating rigorous multiscale models of complex phenomena in porous media.

Research Organization:
Stanford Univ., CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0019075
OSTI ID:
2420936
Journal Information:
Water Resources Research, Journal Name: Water Resources Research Journal Issue: 7 Vol. 59; ISSN 0043-1397
Publisher:
American Geophysical Union (AGU)
Country of Publication:
United States
Language:
English

References (7)

Homogenization approach to the upscaling of a reactive flow through particulate filters with wall integrated catalyst journal December 2020
Upscaling and Automation: Pushing the Boundaries of Multiscale Modeling through Symbolic Computing: An Introduction to Symbolica journal August 2021
Upscaling of Diffusion–Reaction Phenomena by Homogenisation Technique: Possible Appearance of Morphogenesis journal November 2018
Homogenizability conditions for multicomponent reactive transport journal December 2013
Applicability regimes for macroscopic models of reactive transport in porous media journal March 2011
Taylor dispersion in porous media: Analysis by multiple scale expansions journal January 1995
Automated Solution of Differential Equations by the Finite Element Method book January 2012

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