CADETProcess.processModel.Process

class CADETProcess.processModel.Process(cycle_time, _lock)

Bases: EventHandler

Class for defining the dynamic changes of a flow sheet.

Attributes:

namestr

Name of the process object to be simulated.

system_statenp.ndarray

np.ndarray: State of the entire system.

system_state_derivatenp.ndarray

Derivative of the state

See also

EventHandler

CADETProcess.processModel.FlowSheet

CADETProcess.simulation.Solver

property V_eluent: float

float: Volume of the eluent entering the system in one cycle.

property V_solid: float

float: Volume of all solid phase material used in flow sheet.

add_concentration_profile(unit: str, time: ndarray, c: ndarray, components: list[str] | None = None, s: float = 1e-06, interpolation_method: Literal['cubic', 'pchip', None] = 'pchip') → None

Add concentration profile to Process.

Parameters:

unitstr

The name of the inlet unit operation.

timenp.ndarray

1D array containing the time values of the concentration profile.

cnp.ndarray

2D array containing the concentration profile with shape (len(time), n_comp), where n_comp is the number of components specified in the components argument.

componentslist[str] | None, optional

Component species for which the concentration profile shall be added. If None, the profile is expected to have shape (len(time), n_comp). If -1, the same (1D) profile is added to all components. Default is None.

sfloat, optional

Smoothing factor used to generate the spline representation of the concentration profile. Default is 1e-6.

interpolation_methodLiteral[“linear”, “cubic”, “pchip”, None], optional

The interpolation method to use. Options: - “cubic” : Cubic spline interpolation. - “pchip” : Piecewise cubic Hermite interpolation (default). - None : No interpolation, use raw time data.

Raises:

TypeError

If the specified unit is not an Inlet unit operation.

ValueError

If the time values in time exceed the cycle time of the Process. If c has an invalid shape. If interpolation_method is unknown.

add_flow_rate_profile(unit: str, time: ndarray, flow_rate: ndarray, s: float = 1e-06, interpolation_method: Literal['cubic', 'pchip', None] = 'pchip') → None

Add flow rate profile to a SourceMixin unit operation.

Parameters:

unitstr

The name of the SourceMixin unit operation.

timenp.ndarray

1D array containing the time values of the flow rate profile.

flow_ratenp.ndarray

1D array containing the flow rate values over time.

sfloat, optional

Smoothing factor used to generate the spline representation of the flow rate profile. Default is 1e-6.

interpolation_methodLiteral[“linear”, “cubic”, “pchip”, None], optional

The interpolation method to use. Options: - “cubic” : Cubic spline interpolation. - “pchip” : Piecewise cubic Hermite interpolation (default). - None : No interpolation, use raw time data.

Raises:

TypeError

If the specified unit is not a SourceMixin unit operation.

ValueError

If the time values in time exceed the cycle time of the Process.

add_parameter_sensitivity(parameter_paths: str | list[str], name: str | None = None, components: str | list[str] | None = None, polynomial_coefficients: str | list[str] | None = None, reaction_indices: int | list[int] | None = None, bound_state_indices: int | list[int] | None = None, section_indices: int | list[int] | None = None, abstols: float | list[float] | None = None, factors: int | list[int] | None = None) → None

Add parameter sensitivty to Process.

Parameters:

parameter_pathsstr or list of str

The path to the parameter(s).

namestr, optional

The name of the parameter sensitivity. If not provided, the name of the first parameter will be used.

componentsstr or list of str, optional

The component(s) to which the parameter(s) belong. Must only be provided if parameter is specific to a certain compoment.

polynomial_coefficients: str or list of str, optional

The polynomial coefficients(s) to which the parameter(s) belong. Must only be provided if parameter is specific to a certain coefficient.

reaction_indicesint or list of int, optional

The index(es) of the reaction(s) in the associated model(s), if applicable. Must only be provided if parameter is specific to a certain reaction.

bound_state_indicesint or list of int, optional

The index(es) of the bound state(s) in the associated model(s), if applicable. Must only be provided if parameter is specific to a certain bound state.

section_indicesint or list of int, optional

The index(es) of the section(s) in the associated model(s), if applicable. Must only be provided if parameter is specific to a certain section.

abstolsfloat or list of float, optional

The absolute tolerances for each parameter. If not provided, a default tolerance will be used.

factorsfloat or list of float, optional

The factors for each parameter. If not provided, a default factor of 1 will be used.

Raises:

CADETProcessError

Number of indices do not match for: - components - polynomial_coefficients - reaction - bound_state - sections - tolerances - factors

Component is not found. Unit is not found. Parameter is not found. Name is not provided (if number of parameters larger than 1). If sensitivity name already exists.

Notes

This functionality is still work in progress.

Todo

• [ ] Check if compoment/reaction/polynomial index are required.

• [ ] Specify time instead of section index;

check_config() → bool

Validate that process config is setup correctly.

Returns:

checkBool

True if process is setup correctly. False otherwise.

check_cstr_volume() → bool

Check if CSTRs run empty.

Returns:

flagbool

False if any of the CSTRs run empty. True otherwise.

property component_system: ComponentSystem

ComponentSystem: Component system of the process.

property config: Dict

dict[str, dict]: Parameters and initial state of the process.

property flow_rate_section_states: dict

Return flow rates for all units for every section time.

property flow_rate_timelines: dict

Return TimeLine of flow_rate for all unit_operations.

property flow_sheet: FlowSheet

FlowSheet: flow sheet of the process model.

Raises:

TypeError:

If flow_sheet is not an instance of FlowSheet.

property initial_state: dict

dict: Initial state of the process.

property m_feed: ndarray

np.ndarray: Mass of feed components entering the system in one cycle.

property meta_information: dict

dict: Meta information of the process.

property n_comp: int

int: Number of components in the process.

property n_sensitivities: int

int: Number of parameter sensitivities.

property parameter_sensitivities: list

list: Parameter sensitivites.

property parameter_sensitivity_names: list

list: Parameter sensitivity names.

property parameters: dict

dict: Parameters of the process.

property polynomial_parameters: Dict

dict: Polynomial parameters of the process.

property process_meta: ProcessMeta

ProcessMeta: Process meta information.

property section_dependent_parameters: Dict

dict: Section dependent parameters of the process.

property sized_parameters: Dict

dict: Sized parameters of the process.

property system_state: ndarray

np.ndarray: State of the entire system.

property system_state_derivative: ndarray

np.ndarray: State derivative of the entire system.