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feat: Change molarity concentration to molality concentration - #3996

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feat: Change molarity concentration to molality concentration#3996
frankfeifan wants to merge 8 commits into
developfrom
feat/frankfei/molalityConcentration

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@frankfeifan frankfeifan commented Mar 14, 2026

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This PR changes convention of the concentration fed into HPCReact from molarity [mol/m3] or [mol/L] to molality [mol/kg], as a preparatory step for introducing the activity model.

Specific changes include:

  • Switched the concentration passed to HPCReact from molarity to molality, converting back with the system's solvent density at every caller: accumulation, advective and diffusive flux, Dirichlet and source terms, and their thermal counterparts.

  • Sourced the solvent density from the solver's single reactive fluid model rather than a per-subregion scan, and turned the previously silent single-fluid-model assumption into an explicit input error, ensuring a single fluid model defined across all regions for a uniform dof layout.

  • Restored the finite-difference Jacobian test to dt = 1.0, since the reduction to 0.01 was a workaround for the inflated reaction term.

  • Rebaseline

Depends on GEOS-DEV/HPCReact#21

@frankfeifan frankfeifan added the flag: requires rebaseline Requires rebaseline branch in integratedTests label Mar 17, 2026
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ci: run device builds Allows to run the device (CUDA/HIP) builds 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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