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.
createprofileinputlines	Create profile keyword input lines for Chemkin applications.
createspeciesinputlines	Create keyword input lines.
createspeciesinputlineswithaddon	Create keyword input lines.
chemid	Get chemistry set index.
set_molefractions	Reset the reactor species mole fractions.
set_massfractions	Reset 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.

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.

Attributes

label
runstatus

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.

Attribute detail

ReactorModel.label

ReactorModel.runstatus = -100

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.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.chemid() → int

Get chemistry set index.

ReactorModel.set_molefractions(molefrac: numpy.typing.NDArray[numpy.double])

Reset the reactor species mole fractions.

ReactorModel.set_massfractions(massfrac: numpy.typing.NDArray[numpy.double])

Reset 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.