`Material`#

class ansys.chemkin.core.chemistry.Material(mat_index: int, chem: Chemistry, label: str = '')#: Surface Chemkin material object.

Overview#

Methods

`information`	List the size information of the material.
`get_site_specindex`	Get the local and the global indices of a site species.
`get_bulk_specindex`	Get the local and the global indices of a bulk species.
`get_surf_specindex`	Get the local and the global indices and type of a surface species.
`get_site_density`	Get the site phase densities.
`get_bulk_density`	Get bulk species densities.
`get_site_molar_weights`	Get the site species molecular weights.
`get_bulk_molar_weights`	Get the bulk species molecular weights.
`get_site_occupancy`	Get site species occupancy.
`get_site_species_h`	Get site species enthalpy.
`get_bulk_species_h`	Get bulk species enthalpy.
`get_bulk_species_cp`	Get bulk species specific heat capacity.
`material_species_composition`	Get elemental composition of a species.
`get_surface_reaction_parameters`	Get the Arrhenius reaction rate parameters.
`set_surface_reaction_afactor`	Set the Arrhenius A-Factor of the given surface reaction.
`get_surface_reaction_afactor`	Get the Arrhenius A-Factor of the given surface reaction.
`set_surface_reaction_act_energy`	Set the Arrhenius activation energy of the given surface reaction.
`get_surface_reaction_act_energy`	Get the Arrhenius activation energy.
`get_surface_reaction_string`	Get the reaction string of the surface reaction.

Properties

`material_index`	Get the surface material index.
`number_phases`	Get the number of phases.
`number_site_phases`	Get the number of site phases.
`number_bulk_phases`	Get the number of bulk phases.
`number_total_species`	Get the number of species in all phases.
`number_site_species`	Get the total number of site species.
`number_bulk_species`	Get the total number of bulk species.
`first_site_phase_index`	Get phase index of the first site phase.
`last_site_phase_index`	Get phase index of the last site phase.
`first_bulk_phase_index`	Get phase index of the first bulk phase.
`last_bulk_phase_index`	Get phase index of the last bulk phase.
`number_surface_reactions`	Get the number of surface reactions.
`number_total_reactions`	Get the number of all reactions.
`phase_names`	Get list of phase names.
`site_species_names`	Set list of site species names.
`bulk_species_names`	Set list of bulk species names.
`first_site_species_index`	Get the global species index of the first site species.
`first_bulk_species_index`	Get the global species index of the first bulk species.
`last_site_species_index`	Get the global species index of the last site species.
`last_bulk_species_index`	Get the global species index of the last bulk species.
`surface_temperature`	Get surface material temperature.
`surface_area`	Get surface material area.

Attributes

Import detail#

from ansys.chemkin.core.chemistry import Material

Property detail#

property Material.material_index: int#: Get the surface material index.

property Material.number_phases: int#: Get the number of phases.

property Material.number_site_phases: int#: Get the number of site phases.

property Material.number_bulk_phases: int#: Get the number of bulk phases.

property Material.number_total_species: int#: Get the number of species in all phases.

property Material.number_site_species: int#: Get the total number of site species.

property Material.number_bulk_species: int#: Get the total number of bulk species.

property Material.first_site_phase_index: int#: Get phase index of the first site phase.

property Material.last_site_phase_index: int#: Get phase index of the last site phase.

property Material.first_bulk_phase_index: int#: Get phase index of the first bulk phase.

property Material.last_bulk_phase_index: int#: Get phase index of the last bulk phase.

property Material.number_surface_reactions: int#: Get the number of surface reactions.

property Material.number_total_reactions: int#: Get the number of all reactions.

property Material.phase_names#: Get list of phase names.

property Material.site_species_names#: Set list of site species names.

property Material.bulk_species_names#: Set list of bulk species names.

property Material.first_site_species_index: int#: Get the global species index of the first site species.

property Material.first_bulk_species_index: int#: Get the global species index of the first bulk species.

property Material.last_site_species_index: int#: Get the global species index of the last site species.

property Material.last_bulk_species_index: int#: Get the global species index of the last bulk species.

property Material.surface_temperature: float#: Get surface material temperature.

property Material.surface_area: float#: Get surface material area.

Attribute detail#

Material.num_element#

Material.num_gas_species#

Material.num_gas_reactions#

Material.site_species_map: dict[str, int]#

Material.bulk_species_map: dict[str, int]#

Material.ESymbols#

Material.num_site_phase#

Material.num_bulk_phase#

Material.first_site_phase = 0#

Material.last_site_phase = 0#

Material.first_bulk_phase = 0#

Material.last_bulk_phase = 0#

Material.nspecies_of_phase#

Material.first_species_id_of_phase#

Material.last_species_id_of_phase#

Material.PhaseSymbol: list[str] = []#

Material.phase_map: dict[str, int]#

Material.phases: dict[str, SurfacePhase]#

Material.site_symbols: list[str] = []#

Material.bulk_symbols: list[str] = []#

Material.ncf_done = 0#

Material.sitewt_done = 0#

Material.bulkwt_done = 0#

Material.site_wt#

Material.bulk_wt#

Material.surftemp = 300.0#

Material.activearea = 0.0#

Method detail#

Material.information()#: List the size information of the material.

Material.get_site_specindex(symbol: str = '') → tuple[int, int]#: Get the local and the global indices of a site species.

Material.get_bulk_specindex(symbol: str = '') → tuple[int, int]#: Get the local and the global indices of a bulk species.

Material.get_surf_specindex(symbol: str = '', mode: str = 'normal') → tuple[int, int, str]#: Get the local and the global indices and type of a surface species.

Material.get_site_density() → numpy.typing.NDArray[numpy.double]#: Get the site phase densities.

Material.get_bulk_density() → numpy.typing.NDArray[numpy.double]#: Get bulk species densities.

Material.get_site_molar_weights() → numpy.typing.NDArray[numpy.double]#: Get the site species molecular weights.

Material.get_bulk_molar_weights() → numpy.typing.NDArray[numpy.double]#: Get the bulk species molecular weights.

Material.get_site_occupancy() → numpy.typing.NDArray[numpy.int32]#: Get site species occupancy.

Material.get_site_species_h(temp: float | None = None) → numpy.typing.NDArray[numpy.double]#: Get site species enthalpy.

Material.get_bulk_species_h(temp: float | None = None, pres: float | None = None) → numpy.typing.NDArray[numpy.double]#: Get bulk species enthalpy.

Material.get_bulk_species_cp(temp: float | None = None, pres: float | None = None) → numpy.typing.NDArray[numpy.double]#: Get bulk species specific heat capacity.

Material.material_species_composition(elemindex: int = -1, specindex: int = -1) → int#: Get elemental composition of a species.

Material.get_surface_reaction_parameters() → tuple[numpy.typing.NDArray[numpy.double], numpy.typing.NDArray[numpy.double], numpy.typing.NDArray[numpy.double]]#: Get the Arrhenius reaction rate parameters.

Material.set_surface_reaction_afactor(reaction_index: int, a_factor: float)#: Set the Arrhenius A-Factor of the given surface reaction.

Material.get_surface_reaction_afactor(reaction_index: int) → float#: Get the Arrhenius A-Factor of the given surface reaction.

Material.set_surface_reaction_act_energy(reaction_index: int, act_energy: float)#: Set the Arrhenius activation energy of the given surface reaction.

Material.get_surface_reaction_act_energy(reaction_index: int) → float#: Get the Arrhenius activation energy.

Material.get_surface_reaction_string(reaction_index: int) → str#: Get the reaction string of the surface reaction.

`num_element`
`num_gas_species`
`num_gas_reactions`
`site_species_map`
`bulk_species_map`
`ESymbols`
`num_site_phase`
`num_bulk_phase`
`first_site_phase`
`last_site_phase`
`first_bulk_phase`
`last_bulk_phase`
`nspecies_of_phase`
`first_species_id_of_phase`
`last_species_id_of_phase`
`PhaseSymbol`
`phase_map`
`phases`
`site_symbols`
`bulk_symbols`
`ncf_done`
`sitewt_done`
`bulkwt_done`
`site_wt`
`bulk_wt`
`surftemp`
`activearea`

Material#

Overview#

Import detail#

Property detail#

Attribute detail#

Method detail#

`Material`#