(sc_uo) ACCΒΆ
Instantiation
a) direct
b) using parameters and attributes
PARAMETERS = {
# Required.
"uo_id": str,
"load_bt": core.ChromatographyLoadBreakthrough,
"peak_shape_pdf": core.PDF,
# Optional.
"gui_title": str, # default: ACC
}
ATTRIBUTES = {
# One of next two.
"cv": float,
"ft_mean_retentate": float, # Requires `column_porosity_retentate`.
# Required if `ft_mean_retentate`, otherwise ignored.
"column_porosity_retentate": float,
# Optional. Default = [] (empty).
"non_binding_species": List[int], # indexing starts with 0
# One or both. If both, the duration adds up.
"equilibration_cv": float,
"equilibration_t": float,
# One of next two.
"equilibration_f": float,
"equilibration_f_rel": float, # relative to inlet (load) flow rate
# One of next three.
"load_cv": float,
"load_c_end_ss": np.ndarray,
"load_c_end_relative_ss": float,
# Optional. Default = False.
"load_c_end_estimate_with_iterative_solver": bool,
# Optional. Default = 1000.
# Ignored if `load_c_end_estimate_with_iterative_solver == False`.
"load_c_end_estimate_with_iterative_solver_max_iter": int,
# Optional.
"load_extend_first_cycle": bool, # Default: False
# Ignored if `load_extend_first_cycle == True`.
# If both, the duration is added together.
# If none, the duration is estimated by the model
"load_extend_first_cycle_cv": float,
"load_extend_first_cycle_t": float,
# Optional.
"load_target_lin_velocity": float,
# One or both. If both, the duration adds up.
"wash_cv": float,
"wash_t": float,
# One of next two.
"wash_f": float,
"wash_f_rel": float, # relative to inlet (load) flow rate
# Optional. Default = 0.
# Elution peak is scaled down by (1 - `unaccounted_losses_rel`).
# Peak cut criteria is applied after the scale down.
"unaccounted_losses_rel": float,
# One or both. If both, the duration adds up.
"elution_cv": float,
"elution_t": float,
# One of next two.
"elution_f": float,
"elution_f_rel": float, # relative to inlet (load) flow rate
# Optional. Default is empty array (-> all species are 0).
"elution_buffer_c": np.ndarray,
# One of next two.
# Fist momentum relative to the beginning of elution step.
"elution_peak_position_cv": float,
"elution_peak_position_t": float,
# One of next four.
"elution_peak_cut_start_t": float,
"elution_peak_cut_start_cv": float,
"elution_peak_cut_start_c_rel_to_peak_max": float,
"elution_peak_cut_start_peak_area_share": float,
# One of next four.
"elution_peak_cut_end_t": float,
"elution_peak_cut_end_cv": float,
"elution_peak_cut_end_c_rel_to_peak_max": float,
"elution_peak_cut_end_peak_area_share": float,
# One or both. If both, the duration adds up.
"regeneration_cv": float,
"regeneration_t": float,
# One of next two.
"regeneration_f": float,
"regeneration_f_rel": float, # relative to inlet (load) flow rate
# Additional attributes are inherited from `UnitOperation`.
# See `examples/templates/add_on_attributes.py`.
# Add them to the list if needed.
}
Additional Add-On Attributes are available
for each bio_rtd.core.UnitOperation.
"""1. Define a time step and a simulation time vector."""
t = np.linspace(0, 1000, 10001) # it must start with 0
dt = t[1] # time step
"""2. Use `PARAMETERS` and `ATTRIBUTES` as a template.
Copy/Paste templates.
Replace variable types with values.
Remove or comment out the ones that are not needed.
Notes
-----
Process parameters in the following example were chosen for
demonstrating the model usability (rather than representing a real
chromatographic process).
"""
uo_pars = {
# Required.
"uo_id": "pcc_template_implementation",
"load_bt": bt_load.ConstantPatternSolution(dt, dbc_100=240, k=0.05),
"peak_shape_pdf": pdf.GaussianFixedDispersion(t, 8**2 / 30),
# Optional.
# "gui_title": str, # default: ACC
}
uo_attr = {
# One of next two.
"cv": 13,
# "ft_mean_retentate": float, # Requires `column_porosity_retentate`.
# Required if `ft_mean_retentate`, otherwise ignored.
# "column_porosity_retentate": float,
# Optional. Default = [].
# "non_binding_species": List[int], # indexing starts with 0
# One or both. If both, the duration adds up.
"equilibration_cv": 3,
# "equilibration_t": float,
# One of next two.
# "equilibration_f": float,
"equilibration_f_rel": 1, # relative to inlet (load) flow rate
# One of next three.
# "load_cv": float,
# "load_c_end_ss": np.ndarray,
"load_c_end_relative_ss": 0.7, # 70 % of breakthrough
# Optional. Default = False.
"load_c_end_estimate_with_iterative_solver": True,
# Optional. Default = 1000.
# Ignored if `load_c_end_estimate_with_iterative_solver == False`.
# "load_c_end_estimate_with_iterative_solver_max_iter": int,
# Optional.
"load_extend_first_cycle": True, # Default: False
# Ignored if `load_extend_first_cycle == True`.
# If both, the duration is added together.
# If none, the duration is estimated by the model
# "load_extend_first_cycle_cv": float,
# "load_extend_first_cycle_t": float,
# Optional.
# "load_target_lin_velocity": float,
# One or both. If both, the duration adds up.
"wash_cv": 5,
# "wash_t": float,
# One of next two.
# "wash_f": float,
"wash_f_rel": 1, # relative to inlet (load) flow rate
# Optional. Default = 0.
# Elution peak is scaled down by (1 - `unaccounted_losses_rel`).
# Peak cut criteria is applied after the scale down.
"unaccounted_losses_rel": 0.2,
# One or both. If both, the duration adds up.
"elution_cv": 3,
# "elution_t": float,
# One of next two.
# "elution_f": float,
"elution_f_rel": 1 / 4, # relative to inlet (load) flow rate
# Optional. Default is empty array (-> all species are 0).
# "elution_buffer_c": np.ndarray,
# One of next two.
# Fist momentum relative to the beginning of elution step.
"elution_peak_position_cv": 1.6,
# "elution_peak_position_t": float,
# One of next four.
# "elution_peak_cut_start_t": float,
"elution_peak_cut_start_cv": 1.05,
# "elution_peak_cut_start_c_rel_to_peak_max": float,
# "elution_peak_cut_start_peak_area_share": float,
# One of next four.
# "elution_peak_cut_end_t": float,
"elution_peak_cut_end_cv": 2.3,
# "elution_peak_cut_end_c_rel_to_peak_max": float,
# "elution_peak_cut_end_peak_area_share": float,
# One or both. If both, the duration adds up.
"regeneration_cv": 1,
# "regeneration_t": float,
# One of next two.
# "regeneration_f": float,
"regeneration_f_rel": 1, # relative to inlet (load) flow rate
# Additional attributes are inherited from `UnitOperation`.
# See `examples/templates/add_on_attributes.py`.
# Add them to the list if needed.
}
"""3. Instantiate unit operation and populate attributes."""
acc = ACC(t, **uo_pars)
for key, value in uo_attr.items():
# Make sure attribute exist.
assert hasattr(acc, key), f"`{key}` is wrong."
# Override value.
setattr(acc, key, value)
# Voila :)