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@frankfeifan frankfeifan commented Apr 24, 2025

This branch aims to implement the single-phase reactive transport model into GEOS. The following tasks are listed for completion:

  • A SinglePhaseReactiveTransport solver (derived from SinglePhaseBase) that contains all needed functions to solve the problem and SinglePhaseReactiveTransportFields.hpp to store all necessary fields
  • AccumulationKernel and FluxComputeKernel to assemble the local rhs and matrix
  • Make everything work for both isothermal and thermal
  • Plug in the chemistry module from this repo through a ReactiveSinglePhaseFluid constitutive model
  • A unit test testSinglePhaseReactiveTransport to verify the implementation of Jacobian matrix
  • Examples for representative reaction systems
  • A porosity model that updates the solid porosity with chemical reaction
  • Update surfaceArea (added but need test)
  • MoMaS verification (transport + all equilibrium) and generic chain reaction verification (transport + all kinetic)

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@herve-gross herve-gross left a comment

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Approving to avoid holding this up, but I have not looked at the code in detail.

@rrsettgast rrsettgast merged commit 654a813 into develop Jan 3, 2026
42 of 46 checks passed
@rrsettgast rrsettgast deleted the feature/singlePhaseReactiveTransportWithHPCReact branch January 3, 2026 21:17
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changes XML input ci: run code coverage enables running of the code coverage CI jobs ci: run CUDA builds Allows to triggers (costly) CUDA jobs ci: run integrated tests Allows to run the integrated tests in GEOS CI flag: ready for review flag: requires rebaseline Requires rebaseline branch in integratedTests flag: requires updated submodule(s)

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8 participants