From deac0ec63a7e550e98c1580886dc53dd9cb98996 Mon Sep 17 00:00:00 2001 From: Roberto Porcu Date: Tue, 25 Mar 2025 12:14:34 -0400 Subject: [PATCH 1/2] update chemistry inputs to include the new flags for solids update in chemistry --- .../user_guide/inputs/chemical_reactions.rst | 39 ++++++++++++------- 1 file changed, 25 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..88a74f2 100644 --- a/docs/source_docs/user_guide/inputs/chemical_reactions.rst +++ b/docs/source_docs/user_guide/inputs/chemical_reactions.rst @@ -12,20 +12,31 @@ 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 | When updating the solids quantities in chemistry, check | Real | 0 | +| | whether the solids mass is below a given 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 From 5e67a71c3d8d6e20392abbcb8649f82fad7a1856 Mon Sep 17 00:00:00 2001 From: Roberto Porcu Date: Tue, 1 Apr 2025 15:51:42 -0400 Subject: [PATCH 2/2] add the new inputs for particles radius and density thresholds --- .../user_guide/inputs/chemical_reactions.rst | 61 +++++++++++-------- 1 file changed, 36 insertions(+), 25 deletions(-) diff --git a/docs/source_docs/user_guide/inputs/chemical_reactions.rst b/docs/source_docs/user_guide/inputs/chemical_reactions.rst index 88a74f2..6e67ba8 100644 --- a/docs/source_docs/user_guide/inputs/chemical_reactions.rst +++ b/docs/source_docs/user_guide/inputs/chemical_reactions.rst @@ -12,31 +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 | | | -| | | | | -+------------------------+---------------------------------------------------------+----------+----------------+ -| 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 | When updating the solids quantities in chemistry, check | Real | 0 | -| | whether the solids mass is below a given threshold, and | | | -| | in that case set the particle as invalid and remove it | | | -+------------------------+---------------------------------------------------------+----------+----------------+ ++--------------------------+---------------------------------------------------------+----------+----------------+ +| | 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