Field3D.compute_reaction_rates_batch

Field3D.compute_reaction_rates_batch(self, n_chunks = 5000, tau_c='SFR', tau_m='Kolmo'):

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Description

Computes the reaction rates in batches for a filtered field.

This method calculates reaction rates in chunks for a filtered field, suitable for large datasets. The reaction rates can be computed in different modes specified by tau_c and tau_m.

Parameters

• n_chunks (int, optional): Number of chunks to divide the field into for batch processing. Default is 5000.

• tau_c (str, optional): Mode for computing the chemical timescale. Default is 'SFR'.

• tau_m (str, optional): Mode for computing the mixing timescale. Default is 'Kolmo'.

Raises

• ValueError: If the field is not filtered or if the species' molar concentrations and reaction rates are not in the data folder.

• AttributeError: If required attributes (attr_list, bool_list, folder_path) are not defined.

Workflow

1. Validation:

   • Ensures all mass fractions are in the folder.

   • Confirms the field is filtered and sets the mode to 'Batch'.

2. Paths Preparation:

   • Builds lists for reaction rates paths and species' mass fractions paths.

   • Checks if the reaction rates files already exist and prompts the user for confirmation to overwrite them.

3. Reaction Rates Computation:

   • Initializes chunk generators for temperature, pressure, density, and timescales.

   • Computes reaction rates and heat release rates in chunks using the Cantera library.

   • Saves computed chunks to respective files.

Returns

None

Example

>>> field = Field3D('your_folder_path')
>>> field.compute_reaction_rates_batch(n_chunks=5000, tau_c='SFR', tau_m='Kolmo')