Commit 218a32a9 authored by Roberto Porcu's avatar Roberto Porcu Committed by Jordan Musser
Browse files

New flags for solids update in chemistry (!118)

parent 13c2abac
Loading
Loading
Loading
Loading
+26 −4
Original line number Diff line number Diff line
@@ -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    |          |                |
|                          |                                                         |          |                |
+------------------------+---------------------------------------------------------+----------+-----------+
+--------------------------+---------------------------------------------------------+----------+----------------+
| 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