Piston Flow Reactor package

Reactor

PFR construction.

class reactord.flowreactors.stationary_1d.pfr.PFR(kinetic: Kinetic, reactor_length: float, transversal_area: float, grid_size: int, mass_balance, energy_balance, pressure_balance)[source]

Bases: object

Piston flow reactor.

No radial and no axial dispersion tubular reactor. Reaction on the tube side.

Parameters:

  • kinetic (Kinetic) – kinetic object.

  • reactor_length (float) – Reactor length. [m]

  • transversal_area (float) – Reactor transversal area. [m²]

  • grid_size (int) – Number of discretization points of the reactor’s length.

  • mass_balance – Mass balance setting.

  • energy_balance – Energy balance setting.

  • pressure_balance – Pressure balance setting.

property mix

Set mix of reaction.

initial_profile_builder() → None[source]

Construct initial profile of the reactor’s dependent variables.

Constructs the initial profile calling the initial_profile() method of each balance. This method sets the molar flow profile, reactor’s temperature, refrigerant’s temperature and reactor’s pressure over the reactor’s length.

border_conditions_builder() → None[source]

Extract the border conditions of each balance.

Constructs the border conditions calling the border_conditions() method of each balance.

border_conditions(ya, yb) → ndarray[Any, dtype[float64]][source]

Border condition builder for scipy.solve_bvp.

Parameters:

  • ya (List[float]) – Border conditions on reactor’s inlet.

  • yb (List[float]) – Border conditions on reactor’s outlet.

Returns:

Border conditions for scipy.solve_bvp.

Return type:

NDArray[np.float64]

evaluate_balances(z: ndarray[Any, dtype[float64]], variables: ndarray[Any, dtype[float64]]) → ndarray[Any, dtype[float64]][source]

Evaluate mass, energy and pressure balance.

Parameters:

  • z (NDArray[np.float64]) – Reactor length

  • Variables (NDArray[np.float64]) – Matrix of the molar flows, temperatures and pressure over the reactor’s length.

Returns:

Matrix of the gradients of molar flows, temperatures and pressure over the reactor’s length.

Return type:

NDArray[np.float64]

simulate(tol=0.001, max_nodes=1000, verbose=0, bc_tol=None) → None[source]

Simulate reactor.

Parameters:

  • tol (_type_, optional) – Scipy solve_bvp tol value, by default 1e-3

  • max_nodes (int, optional) – Scipy solve_bvp max_nodes value, by default 1000

  • verbose (int, optional) – Scipy solve_bvp verbose parameter, by default 0

  • bc_tol (optional) – Scipy solve_bvp bc_tol value, by default None

property irepr: None

Represent for ipython.