SurfaceChemistryController

class ansys.chemkin.core.surface_chemistry_controller.SurfaceChemistryController(reactor: SurfaceChemistryHost)

Controller that encapsulates reactor surface-chemistry operations.

Overview

Methods

activate_surface_chemistry	Activate surface chemistry on reactor wall materials.
verify_surface_chemistry	Verify that the host reactor supports surface chemistry.
no_surface_mechanism_declaration	Inform users that surface chemistry is not available.
require_surface_chemistry	Return availability and log guidance when surface chemistry is absent.
no_surface_material	Log an error for an unknown surface material.
get_material_names	Return all surface material names.
get_site_species_names	Return site-species names for all surface materials.
get_bulk_species_names	Return bulk-species names for all surface materials.
get_total_site_species	Return total number of site species across all materials.
get_total_bulk_species	Return total number of bulk species across all materials.
check_material_area_fraction	Return whether a material-specific area fraction is set.
get_material_area_fraction	Return the area fraction for a given surface material.
set_material_area_fraction	Set the area fraction for a given surface material.
check_material_temperature	Return whether a material-specific temperature is set.
get_material_temperature	Return temperature for a given surface material.
set_material_temperature	Set temperature for a given surface material.
get_all_surface_temperature	Return temperatures of all materials in a flat array.
get_site_fraction	Return site fractions for a surface material.
set_site_fraction	Set site fractions for a surface material.
get_all_site_fractions	Return site fractions for all materials as one array.
get_bulk_activity	Return bulk activities for a surface material.
set_bulk_activity	Set bulk activities for a surface material.
get_all_bulk_growth_rates	Return bulk growth rates for all materials as one array.
set_init_surface_coverage	Build default/initial site-fraction and bulk-activity arrays.
set_surface_chemistry_keywords	Emit surface-chemistry related keyword lines via host.setkeyword.

Properties

get_numb_material	Return number of materials in the active surface mechanism.
surface_ratemultiplier	Return the global surface reaction-rate multiplier.

Import detail

from ansys.chemkin.core.surface_chemistry_controller import SurfaceChemistryController

Property detail

property SurfaceChemistryController.get_numb_material: int

Return number of materials in the active surface mechanism.

property SurfaceChemistryController.surface_ratemultiplier: float

Return the global surface reaction-rate multiplier.

Method detail

SurfaceChemistryController.activate_surface_chemistry(chem: ansys.chemkin.core.chemistry.Chemistry, mode: str = 'normal')

Activate surface chemistry on reactor wall materials.

SurfaceChemistryController.verify_surface_chemistry() → bool

Verify that the host reactor supports surface chemistry.

SurfaceChemistryController.no_surface_mechanism_declaration()

Inform users that surface chemistry is not available.

SurfaceChemistryController.require_surface_chemistry() → bool

Return availability and log guidance when surface chemistry is absent.

SurfaceChemistryController.no_surface_material(mat_name: str)

Log an error for an unknown surface material.

SurfaceChemistryController.get_material_names() → list[str]

Return all surface material names.

SurfaceChemistryController.get_site_species_names() → list[list[str]]

Return site-species names for all surface materials.

SurfaceChemistryController.get_bulk_species_names() → list[list[str]]

Return bulk-species names for all surface materials.

SurfaceChemistryController.get_total_site_species() → int

Return total number of site species across all materials.

SurfaceChemistryController.get_total_bulk_species() → int

Return total number of bulk species across all materials.

SurfaceChemistryController.check_material_area_fraction(mat_name: str) → int

Return whether a material-specific area fraction is set.

SurfaceChemistryController.get_material_area_fraction(mat_name: str) → float

Return the area fraction for a given surface material.

SurfaceChemistryController.set_material_area_fraction(mat_name: str, fraction: float)

Set the area fraction for a given surface material.

SurfaceChemistryController.check_material_temperature(mat_name: str) → int

Return whether a material-specific temperature is set.

SurfaceChemistryController.get_material_temperature(mat_name: str) → float

Return temperature for a given surface material.

SurfaceChemistryController.set_material_temperature(mat_name: str, temp: float)

Set temperature for a given surface material.

SurfaceChemistryController.get_all_surface_temperature() → numpy.typing.NDArray[numpy.double]

Return temperatures of all materials in a flat array.

SurfaceChemistryController.get_site_fraction(mat_name: str) → numpy.typing.NDArray[numpy.double]

Return site fractions for a surface material.

SurfaceChemistryController.set_site_fraction(mat_name: str, recipe: list[tuple[str, float]])

Set site fractions for a surface material.

SurfaceChemistryController.get_all_site_fractions() → numpy.typing.NDArray[numpy.double]

Return site fractions for all materials as one array.

SurfaceChemistryController.get_bulk_activity(mat_name: str) → numpy.typing.NDArray[numpy.double]

Return bulk activities for a surface material.

SurfaceChemistryController.set_bulk_activity(mat_name: str, recipe: list[tuple[str, float]])

Set bulk activities for a surface material.

SurfaceChemistryController.get_all_bulk_growth_rates() → numpy.typing.NDArray[numpy.double]

Return bulk growth rates for all materials as one array.

SurfaceChemistryController.set_init_surface_coverage() → tuple[numpy.typing.NDArray[numpy.double], numpy.typing.NDArray[numpy.double]]

Build default/initial site-fraction and bulk-activity arrays.

SurfaceChemistryController.set_surface_chemistry_keywords()

Emit surface-chemistry related keyword lines via host.setkeyword.