[Bug]: Two-phase electrode cycling #2682

BradyPlanden · 2023-02-13T15:47:06Z

PyBaMM Version

23.1

Python Version

3.8.10

Describe the bug

Utilising the two-phase electrode definition for cycling with the pybamm.Experiment function returns the following error, which seems to be from the "Primary:" and "Secondary:" naming conventional utilised in the two-phase parameter file Chen2020_composite.py.

I think the workaround at the moment is to construct "Current function [A]" in such a way as to complete multi-cycle simulations, either through a .CSV interpolant or functionally. Does that seem correct?

Steps to Reproduce

import pybamm

pybamm.set_logging_level("INFO")
# load models
options = {
    "particle phases": ("2", "1"),
    "open circuit potential": (("single", "current sigmoid"), "single"),
}
models = [
    pybamm.lithium_ion.SPM(options),
    pybamm.lithium_ion.SPMe(options),
    pybamm.lithium_ion.DFN(options),
]

parameter_values = pybamm.ParameterValues("Chen2020_composite")

experiment = pybamm.Experiment(
    [
        (
            "Charge at 1 C until 4.2 V",
            "Hold at 4.2 V until C/10",
            "Rest for 5 minutes",
            "Discharge at 1 C until 2.8 V",
            "Rest for 5 minutes",
        )
    ]
    * 2)

# create and run simulations
sims = []
for model in models:
    sim = pybamm.Simulation(model, experiment=experiment, parameter_values=parameter_values)
    sim.solve([0, 9000])
    sims.append(sim)

Relevant log output

/usr/local/lib/python3.8/dist-packages/pybamm/simulation.py in solve(self, t_eval, solver, check_model, save_at_cycles, calc_esoh, starting_solution, initial_soc, callbacks, **kwargs)
    623 
    624             # Set up eSOH solver (for summary variables)
--> 625             esoh_solver = self.get_esoh_solver(calc_esoh)
    626 
    627             if starting_solution is None:

/usr/local/lib/python3.8/dist-packages/pybamm/simulation.py in get_esoh_solver(self, calc_esoh)
    893             return None
    894 
--> 895         return pybamm.lithium_ion.ElectrodeSOHSolver(
    896             self.parameter_values, self.model.param
    897         )

/usr/local/lib/python3.8/dist-packages/pybamm/models/full_battery_models/lithium_ion/electrode_soh.py in __init__(self, parameter_values, param, known_value)
    166         # Check whether each electrode OCP is a function (False) or data (True)
    167         OCPp_data = isinstance(parameter_values["Positive electrode OCP [V]"], tuple)
--> 168         OCPn_data = isinstance(parameter_values["Negative electrode OCP [V]"], tuple)
    169 
    170         # Calculate stoich limits for the open circuit potentials

/usr/local/lib/python3.8/dist-packages/pybamm/parameters/parameter_values.py in __getitem__(self, key)
    137 
    138     def __getitem__(self, key):
--> 139         return self._dict_items[key]
    140 
    141     def get(self, key, default=None):

/usr/local/lib/python3.8/dist-packages/pybamm/util.py in __getitem__(self, key)
     66                 )
     67             best_matches = self.get_best_matches(key)
---> 68             raise KeyError(f"'{key}' not found. Best matches are {best_matches}")
     69 
     70     def search(self, key, print_values=False):

KeyError: "'Negative electrode OCP [V]' not found. Best matches are ['Primary: Negative electrode OCP [V]', 'Positive electrode OCP [V]', 'Negative electrode thickness [m]']"

The text was updated successfully, but these errors were encountered:

valentinsulzer · 2023-02-13T17:00:09Z

It's coming from the capacity calculation (which is different for two-phase and not currently implemented), try with calc_esoh=False.

valentinsulzer · 2023-02-13T17:06:17Z

If you wanted to calculate the capacity, you would need to implement this. Which would be a useful and welcome contribution

BradyPlanden · 2023-02-14T13:52:58Z

Thanks, Tino. Setting calc_esoh=False fixed the error. Would it be worthwhile to include a cycling example for the two-phase implementation with this calc_esoh=False?

That makes sense. I'll start down the road of implementing the above; am I correct in thinking that this implementation should sit inside electrode_soh.py? I suspect we could use "particle phases" as a condition for the above to be utilised; however, maybe there is an alternative that would be more suitable.

valentinsulzer · 2023-02-15T15:16:18Z

Yes, it would be worthwhile to add a cycling example to the end of the existing two-phase example. And you are correct in your thinking for the second part

KennethNwanoro · 2023-02-15T16:23:38Z

Hi all,

I have similar problem running Chen2020_composite parameter set with pybamm experiment. Below is my example script.

import pybamm

options = {
    "particle phases": ("2", "1"),
    "open circuit potential": (("single", "current sigmoid"), "single"),
}

model = pybamm.lithium_ion.DFN(options)
parameter_values = pybamm.ParameterValues("Chen2020_composite")


experiment =  pybamm.Experiment([
         ("Discharge at C/20 for 20 hours or until 2.6 V",),
     ]*1)


sim = pybamm.Simulation(model, experiment=experiment, solver = pybamm.CasadiSolver())
sol = sim.solve(calc_esoh=False)

KennethNwanoro · 2023-02-15T16:24:44Z

Setting calc_esoh = False did not resolve the issue.

KennethNwanoro · 2023-02-15T16:30:46Z

Here is my traceback:

Traceback (most recent call last):

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 639, in process_symbol
    return self._processed_symbols[symbol]

KeyError: Division(-0x7658b1bbeffa1e35, /, children=['96485.33212 * Primary: Maximum concentration in negative electrode [mol.m-3] * (Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m])', 'absolute(Typical current [A] / (Number of electrodes connected in parallel to make a cell * Electrode width [m] * Electrode height [m]))'], domains={})

During handling of the above exception, another exception occurred:

Traceback (most recent call last):

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 639, in process_symbol
    return self._processed_symbols[symbol]

KeyError: Multiplication(-0x77e385336f4b5b24, *, children=['96485.33212 * Primary: Maximum concentration in negative electrode [mol.m-3]', 'Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m]'], domains={})


During handling of the above exception, another exception occurred:


Traceback (most recent call last):

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 639, in process_symbol
    return self._processed_symbols[symbol]

KeyError: Multiplication(-0x2ca91095ccd27d27, *, children=['96485.33212', 'Primary: Maximum concentration in negative electrode [mol.m-3]'], domains={})


During handling of the above exception, another exception occurred:

Traceback (most recent call last):

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 639, in process_symbol
    return self._processed_symbols[symbol]

KeyError: Parameter(0x7c1355ce48b0c9f9, Primary: Maximum concentration in negative electrode [mol.m-3], children=[], domains={})


During handling of the above exception, another exception occurred:

Traceback (most recent call last):

  File "lib\site-packages\pybamm\util.py", line 58, in __getitem__
    return super().__getitem__(key)

KeyError: 'Primary: Maximum concentration in negative electrode [mol.m-3]'


During handling of the above exception, another exception occurred:

Traceback (most recent call last):

  File "untitled1.py", line 23, in <module>
    sol = sim.solve(calc_esoh=False)

  File "lib\site-packages\pybamm\simulation.py", line 612, in solve
    self.build_for_experiment(check_model=check_model, initial_soc=initial_soc)

  File "lib\site-packages\pybamm\simulation.py", line 447, in build_for_experiment
    self.set_up_and_parameterise_experiment()

  File "lib\site-packages\pybamm\simulation.py", line 144, in set_up_and_parameterise_experiment
    timescale = self._parameter_values.evaluate(model.timescale)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 811, in evaluate
    processed_symbol = self.process_symbol(symbol)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 641, in process_symbol
    processed_symbol = self._process_symbol(symbol)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 752, in _process_symbol
    new_left = self.process_symbol(symbol.left)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 641, in process_symbol
    processed_symbol = self._process_symbol(symbol)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 752, in _process_symbol
    new_left = self.process_symbol(symbol.left)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 641, in process_symbol
    processed_symbol = self._process_symbol(symbol)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 753, in _process_symbol
    new_right = self.process_symbol(symbol.right)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 641, in process_symbol
    processed_symbol = self._process_symbol(symbol)

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 650, in _process_symbol
    value = self[symbol.name]

  File "lib\site-packages\pybamm\parameters\parameter_values.py", line 139, in __getitem__
    return self._dict_items[key]

  File "lib\site-packages\pybamm\util.py", line 68, in __getitem__
    raise KeyError(f"'{key}' not found. Best matches are {best_matches}")

KeyError: "'Primary: Maximum concentration in negative electrode [mol.m-3]' not found. Best matches are ['Maximum concentration in negative electrode [mol.m-3]', 'Maximum concentration in positive electrode [mol.m-3]', 'Initial concentration in negative electrode [mol.m-3]']"

BradyPlanden · 2023-02-15T16:42:52Z

Add parameter_values = parameter_values into pybamm.Simulation.

KennethNwanoro · 2023-02-15T17:05:51Z

Thanks a lot, I missed that part after trying to resolve the issue previously raised.

BradyPlanden added the bug Something isn't working label Feb 13, 2023

BradyPlanden mentioned this issue Feb 21, 2023

Multi-cycle addition to composite electrode notebook #2713

Merged

8 tasks

valentinsulzer added priority: medium To be resolved if time allows difficulty: medium Will take a few days labels May 15, 2023

valentinsulzer assigned rtimms Jun 12, 2023

rtimms added the in-progress Assigned in the core dev monthly meeting label Jul 10, 2023

valentinsulzer assigned valentinsulzer and unassigned rtimms Jul 10, 2023

rtimms mentioned this issue Sep 12, 2023

[Bug]: Cannot solve the composite SiG-anode DFN model with an initial_soc #3321

Closed

rtimms mentioned this issue Oct 13, 2023

[WIP] updates for BPX v0.4.0 compatibility #3414

Merged

8 tasks

rtimms mentioned this issue Aug 13, 2024

Extend pybamm.ParameterValues.create_from_bpx() to automate initial concentrations for blended electrodes #4338

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[Bug]: Two-phase electrode cycling #2682

[Bug]: Two-phase electrode cycling #2682

BradyPlanden commented Feb 13, 2023

valentinsulzer commented Feb 13, 2023

valentinsulzer commented Feb 13, 2023

BradyPlanden commented Feb 14, 2023

valentinsulzer commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023

BradyPlanden commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023

[Bug]: Two-phase electrode cycling #2682

[Bug]: Two-phase electrode cycling #2682

Comments

BradyPlanden commented Feb 13, 2023

PyBaMM Version

Python Version

Describe the bug

Steps to Reproduce

Relevant log output

valentinsulzer commented Feb 13, 2023

valentinsulzer commented Feb 13, 2023

BradyPlanden commented Feb 14, 2023

valentinsulzer commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023

BradyPlanden commented Feb 15, 2023

KennethNwanoro commented Feb 15, 2023