From 218a32a9b62f51f8e5cbc2794a90a8839a17983c Mon Sep 17 00:00:00 2001 From: Roberto Porcu Date: Thu, 3 Apr 2025 18:38:59 +0000 Subject: [PATCH] New flags for solids update in chemistry (exa/docs!118) --- .../user_guide/inputs/chemical_reactions.rst | 50 +++++++++++++------ 1 file changed, 36 insertions(+), 14 deletions(-) diff --git a/docs/source_docs/user_guide/inputs/chemical_reactions.rst b/docs/source_docs/user_guide/inputs/chemical_reactions.rst index 0e2dc6b..6e67ba8 100644 --- a/docs/source_docs/user_guide/inputs/chemical_reactions.rst +++ b/docs/source_docs/user_guide/inputs/chemical_reactions.rst @@ -12,20 +12,42 @@ Enabling the Chemical Reactions solver and specifying model options. The following inputs are defined using the ``chemistry`` prefix. -+------------------------+---------------------------------------------------------+----------+-----------+ -| | Description | Type | Default | -+========================+=========================================================+==========+===========+ -| [reaction0].reaction | Chemical formula for the given reaction. The string | String | None | -| | given as input must not contain white spaces and | | | -| | the reaction direction has to be specified as '-->' | | | -| | or '<--'. Chemical species phases must be defined as | | | -| | '(g)' for the fluid phase or '(s)' for the solid phase. | | | -+------------------------+---------------------------------------------------------+----------+-----------+ -| mass_balance_tolerance | Tolerance used to test chemical formula conserves mass. | Real | 1e-12 | -| | | | | -| | abs( sum(products) - sum(reactants)) < tolerance | | | -| | | | | -+------------------------+---------------------------------------------------------+----------+-----------+ ++--------------------------+---------------------------------------------------------+----------+----------------+ +| | Description | Type | Default | ++==========================+=========================================================+==========+================+ +| [reaction0].reaction | Chemical formula for the given reaction. The string | String | None | +| | given as input must not contain white spaces and | | | +| | the reaction direction has to be specified as '-->' | | | +| | or '<--'. Chemical species phases must be defined as | | | +| | '(g)' for the fluid phase or '(s)' for the solid phase. | | | ++--------------------------+---------------------------------------------------------+----------+----------------+ +| mass_balance_tolerance | Tolerance used to test chemical formula conserves mass. | Real | 1e-12 | +| | | | | +| | abs( sum(products) - sum(reactants)) < tolerance | | | +| | | | | ++--------------------------+---------------------------------------------------------+----------+----------------+ +| solids.update_type | When updating the solids quantities in chemistry due to | String | ConstantVolume | +| | chemical reactions, choose the update type among: | | | +| | | | | +| | * ``ConstantVolume`` keep particles' volume constant | | | +| | * ``ConstantDensity`` keep particles' density constant | | | +| | | | | ++--------------------------+---------------------------------------------------------+----------+----------------+ +| solids.mass_threshold | Sets a threshold value for the particles' mass. When | Real | 0 | +| | updating the solids quantities in chemistry, check | | | +| | whether the solids mass is below the threshold, and in | | | +| | that case set the particle as invalid and remove it | | | ++--------------------------+---------------------------------------------------------+----------+----------------+ +| solids.radius_threshold | Sets a threshold value for the particles' radius. When | Real | 0 | +| | updating the solids quantities in chemistry, check | | | +| | whether the solids radius is below the threshold, and | | | +| | in that case set the particle as invalid and remove it | | | ++--------------------------+---------------------------------------------------------+----------+----------------+ +| solids.density_threshold | Sets a threshold value for the particles' density. When | Real | 0 | +| | updating the solids quantities in chemistry, check | | | +| | whether the solids density is below the threshold, and | | | +| | in that case set the particle as invalid and remove it | | | ++--------------------------+---------------------------------------------------------+----------+----------------+ Choosing the integrator type for the chemistry ODE integration operation that is performed to determine the fluid and solids phases transfer quantities due to -- GitLab