`ReactorModel`#

class ansys.chemkin.core.reactormodel.ReactorModel(reactor_condition: ansys.chemkin.core.inlet.Stream, label: str)#: Serve as a generic Chemkin reactor model framework.

Overview#

Methods

`usefullkeywords`	Specify all necessary keywords explicitly.
`setkeyword`	Set a Chemkin keyword and its parameter.
`removekeyword`	Remove an existing Chemkin keyword and its parameter.
`showkeywordinputlines`	List all currently-defined keywords and their parameters line by line.
`createkeywordinputlines`	Create keyword input lines for Chemkin applications.
`showkeywordinputlines_with_tag`	List all currently-defined keywords.
`createkeywordinputlines_with_tag`	Create keyword input lines for Chemkin applications.
`setprofile`	Set a Chemkin profile and its parameter.
`get_profile_value`	Get the y value at given x from the profile data.
`createprofileinputlines`	Create profile keyword input lines for Chemkin applications.
`createspeciesinputlines`	Create keyword input lines.
`createspeciesinputlineswithaddon`	Create keyword input lines.
`create_inletspeciesinputlines`	Create keyword input lines.
`clear_all_keywords`	Delete all existing keyword components.
`chemid`	Get chemistry set index.
`set_molefractions`	Set the reactor species mole fractions.
`set_massfractions`	Set the reactor species mass fractions.
`list_composition`	List the gas mixture composition inside the reactor.
`setsensitivityanalysis`	Switch ON/OFF A-factor sensitivity analysis.
`set_rop_analysis`	Switch ON/OFF the ROP (Rate Of Production) analysis.
`userealgas_eos`	Set the option to turn ON/OFF the real gas model.
`setrealgasmixingmodel`	Set the real gas mixing rule/model.
`setrunstatus`	Set the simulation run status.
`getrunstatus`	Get the reactor model simulation status.
`run`	Serve as a generic Chemkin run reactor model method.
`setsolutionspeciesfracmode`	Set the type of species fractions in the solution.
`getrawsolutionstatus`	Get the status of the post-process.
`getmixturesolutionstatus`	Get the status of the post-process.
`get_solution_size`	Get the number of reactors and the number of solution points.
`getnumbersolutionpoints`	Get the number of solution points per reactor.
`parsespeciessolutiondata`	Parse the 2-D species fraction solution data.
`process_solution`	Post-process solution.
`activate_surface_chemistry`	Activate the surface chemistry.
`verify_surface_chemistry`	Verify whether the reactor model is surfac chemistry capable.
`no_surface_mechanism_declaration`	Inform users surface chemistry is not available for this reactor.
`no_surface_material`	Send surface material not found message.
`get_material_names`	Get all surface material names.
`get_site_species_names`	Get site species names on the surface materials.
`get_bulk_species_names`	Get bulk species names on the surface materials.
`get_total_site_species`	Get total number of site species from all materials.
`get_total_bulk_species`	Get total number of bulk species from all materials.
`check_material_area_fraction`	Verify the surface area fraction is given.
`get_material_area_fraction`	Get the surface area fraction.
`set_material_area_fraction`	Set the value of the surface area fraction.
`check_material_temperature`	Verify the surface temperature is given.
`get_material_temperature`	Get the surface temperature.
`set_material_temperature`	Set the value of the surface temperature.
`get_all_surface_temperature`	Get the temperatures of all materials in the mechanism.
`get_site_fraction`	Get the surface site fractions.
`set_site_fraction`	Set the surface site fractions.
`get_all_site_fractions`	Get site fractions of all materials in the mechanism.
`get_bulk_activity`	Get the bulk species activities.
`set_bulk_activity`	Set the bulk species activities.
`get_all_bulk_growth_rates`	Get bulk growth rates of all materials in the mechanism.
`set_init_surface_coverage`	Set up the initial surface coverage arrays.
`set_surface_chemistry_keywords`	Set up surface chemistry related keywords.

Properties

`temperature`	Get reactor initial temperature.
`pressure`	Get reactor pressure.
`massfraction`	Get the gas species mass fractions.
`molefraction`	Get the gas species mole fractions.
`concentration`	Get the gas species molar concentrations.
`gasratemultiplier`	Get the value of the gas-phase reaction rate multiplier.
`std_output`	Get text output status.
`xml_output`	Get XML solution output status.
`realgas`	Get the real gas EOS status.
`get_numb_material`	Get the number of surface material.
`surface_ratemultiplier`	Get the value of the surface reaction rate multiplier.

Attributes

`label`
`runstatus`
`has_surface_chemistry`
`numbmaterials`
`surface_chemistry`

Import detail#

from ansys.chemkin.core.reactormodel import ReactorModel

Property detail#

property ReactorModel.temperature: float#: Get reactor initial temperature.

property ReactorModel.pressure: float#: Get reactor pressure.

property ReactorModel.massfraction: float#: Get the gas species mass fractions.

property ReactorModel.molefraction: numpy.typing.NDArray[numpy.double]#: Get the gas species mole fractions.

property ReactorModel.concentration: numpy.typing.NDArray[numpy.double]#: Get the gas species molar concentrations.

property ReactorModel.gasratemultiplier: float#: Get the value of the gas-phase reaction rate multiplier.

property ReactorModel.std_output: bool#: Get text output status.

property ReactorModel.xml_output: bool#: Get XML solution output status.

property ReactorModel.realgas: bool#: Get the real gas EOS status.

property ReactorModel.get_numb_material: int#: Get the number of surface material.

property ReactorModel.surface_ratemultiplier: float#: Get the value of the surface reaction rate multiplier.

Attribute detail#

ReactorModel.label#

ReactorModel.runstatus = -100#

ReactorModel.has_surface_chemistry#

ReactorModel.numbmaterials = 0#

ReactorModel.surface_chemistry: Any = None#

Method detail#

ReactorModel.usefullkeywords(mode: bool)#: Specify all necessary keywords explicitly.

ReactorModel.setkeyword(key: str, value: bool | float | str)#: Set a Chemkin keyword and its parameter.

ReactorModel.removekeyword(key: str)#: Remove an existing Chemkin keyword and its parameter.

ReactorModel.showkeywordinputlines()#: List all currently-defined keywords and their parameters line by line.

ReactorModel.createkeywordinputlines() → tuple[int, int]#: Create keyword input lines for Chemkin applications.

ReactorModel.showkeywordinputlines_with_tag(tag: str = '')#: List all currently-defined keywords.

ReactorModel.createkeywordinputlines_with_tag(tag: str = '') → tuple[int, int]#: Create keyword input lines for Chemkin applications.

ReactorModel.setprofile(key: str, x: numpy.typing.NDArray[numpy.double], y: numpy.typing.NDArray[numpy.double]) → int#: Set a Chemkin profile and its parameter.

ReactorModel.get_profile_value(key: str, x: float) → float#: Get the y value at given x from the profile data.

ReactorModel.createprofileinputlines() → tuple[int, int, list[str]]#: Create profile keyword input lines for Chemkin applications.

ReactorModel.createspeciesinputlines(solvertype: int, threshold: float = 1e-12, molefrac: numpy.typing.NDArray[numpy.double] = None) → tuple[int, list[str]]#: Create keyword input lines.

ReactorModel.createspeciesinputlineswithaddon(key: str = 'XEST', threshold: float = 1e-12, molefrac: numpy.typing.NDArray[numpy.double] = None, addon: str = '') → tuple[int, list[str]]#: Create keyword input lines.

ReactorModel.create_inletspeciesinputlines(inlet_name: str, threshold: float = 1e-12, molefrac: numpy.typing.NDArray[numpy.double] = None) → tuple[int, list[str]]#: Create keyword input lines.

ReactorModel.clear_all_keywords()#: Delete all existing keyword components.

ReactorModel.chemid() → int#: Get chemistry set index.

ReactorModel.set_molefractions(molefrac: numpy.typing.NDArray[numpy.double])#: Set the reactor species mole fractions.

ReactorModel.set_massfractions(massfrac: numpy.typing.NDArray[numpy.double])#: Set the reactor species mass fractions.

ReactorModel.list_composition(mode: str, option: str = ' ', bound: float = 0.0)#: List the gas mixture composition inside the reactor.

ReactorModel.setsensitivityanalysis(mode: bool = True, absolute_tolerance: float | None = None, relative_tolerance: float | None = None, temperature_threshold: float | None = None, species_threshold: float | None = None)#: Switch ON/OFF A-factor sensitivity analysis.

ReactorModel.set_rop_analysis(mode=True, threshold=None)#: Switch ON/OFF the ROP (Rate Of Production) analysis.

ReactorModel.userealgas_eos(mode: bool)#: Set the option to turn ON/OFF the real gas model.

ReactorModel.setrealgasmixingmodel(model: int)#: Set the real gas mixing rule/model.

ReactorModel.setrunstatus(code: int)#: Set the simulation run status.

ReactorModel.getrunstatus(mode: str = 'silent') → int#: Get the reactor model simulation status.

ReactorModel.run() → int#: Serve as a generic Chemkin run reactor model method.

ReactorModel.setsolutionspeciesfracmode(mode: str = 'mass')#: Set the type of species fractions in the solution.

ReactorModel.getrawsolutionstatus() → bool#: Get the status of the post-process.

ReactorModel.getmixturesolutionstatus() → bool#: Get the status of the post-process.

ReactorModel.get_solution_size() → tuple[int, int]#: Get the number of reactors and the number of solution points.

ReactorModel.getnumbersolutionpoints() → int#: Get the number of solution points per reactor.

ReactorModel.parsespeciessolutiondata(frac: numpy.typing.NDArray[numpy.double])#: Parse the 2-D species fraction solution data.

ReactorModel.process_solution()#: Post-process solution.

ReactorModel.activate_surface_chemistry(chem: ansys.chemkin.core.chemistry.Chemistry, mode: str = 'normal')#: Activate the surface chemistry.

ReactorModel.verify_surface_chemistry() → bool#: Verify whether the reactor model is surfac chemistry capable.

ReactorModel.no_surface_mechanism_declaration()#: Inform users surface chemistry is not available for this reactor.

ReactorModel.no_surface_material(mat_name: str)#: Send surface material not found message.

ReactorModel.get_material_names() → list[str]#: Get all surface material names.

ReactorModel.get_site_species_names() → list[list[str]]#: Get site species names on the surface materials.

ReactorModel.get_bulk_species_names() → list[list[str]]#: Get bulk species names on the surface materials.

ReactorModel.get_total_site_species() → int#: Get total number of site species from all materials.

ReactorModel.get_total_bulk_species() → int#: Get total number of bulk species from all materials.

ReactorModel.check_material_area_fraction(mat_name: str) → int#: Verify the surface area fraction is given.

ReactorModel.get_material_area_fraction(mat_name: str) → float#: Get the surface area fraction.

ReactorModel.set_material_area_fraction(mat_name: str, fraction: float)#: Set the value of the surface area fraction.

ReactorModel.check_material_temperature(mat_name: str) → int#: Verify the surface temperature is given.

ReactorModel.get_material_temperature(mat_name: str) → float#: Get the surface temperature.

ReactorModel.set_material_temperature(mat_name: str, temp: float)#: Set the value of the surface temperature.

ReactorModel.get_all_surface_temperature() → numpy.typing.NDArray[numpy.double]#: Get the temperatures of all materials in the mechanism.

ReactorModel.get_site_fraction(mat_name: str) → numpy.typing.NDArray[numpy.double]#: Get the surface site fractions.

ReactorModel.set_site_fraction(mat_name: str, recipe: list[tuple[str, float]])#: Set the surface site fractions.

ReactorModel.get_all_site_fractions() → numpy.typing.NDArray[numpy.double]#: Get site fractions of all materials in the mechanism.

ReactorModel.get_bulk_activity(mat_name: str) → numpy.typing.NDArray[numpy.double]#: Get the bulk species activities.

ReactorModel.set_bulk_activity(mat_name: str, recipe: list[tuple[str, float]])#: Set the bulk species activities.

ReactorModel.get_all_bulk_growth_rates() → numpy.typing.NDArray[numpy.double]#: Get bulk growth rates of all materials in the mechanism.

ReactorModel.set_init_surface_coverage() → tuple[numpy.typing.NDArray[numpy.double], numpy.typing.NDArray[numpy.double]]#: Set up the initial surface coverage arrays.

ReactorModel.set_surface_chemistry_keywords()#: Set up surface chemistry related keywords.

ReactorModel#

Overview#

Import detail#

Property detail#

Attribute detail#

Method detail#

`ReactorModel`#