changelog

Author: valentinsulzer

CHANGELOG.md

@@ -19,6 +19,8 @@
 ## Breaking changes
 
 - `ElectrodeSOH.solve` now returns a `{str: float}` dict instead of a `pybamm.Solution` object (to avoid having to do `.data[0]` every time). In any code that uses `sol = ElectrodeSOH.solve()`, `sol[key].data[0]` should be replaced with `sol[key]`. ([#2779](https://github.com/pybamm-team/PyBaMM/pull/2779))
+- Removed "... cation signed stoichiometry" and "... electrons in reaction" parameters, they are now hardcoded. ([#2778](https://github.com/pybamm-team/PyBaMM/pull/2778))
+- When using `solver.step()`, the first time point in the step is shifted by `pybamm.settings.step_start_offset` (default 1 ns) to avoid having duplicate times in the solution steps from the end of one step and the start of the next. ([#2773](https://github.com/pybamm-team/PyBaMM/pull/2773))
 - Renamed "Measured open circuit voltage [V]" to "Surface open-circuit voltage [V]". This variable was calculated from surface particle concentrations, and hence "hid" the overpotential from particle gradients. The new variable "Open-circuit voltage [V]" is calculated from bulk particle concentrations instead. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))
 - Renamed all references to "open circuit" to be "open-circuit" instead. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))
 - Renamed parameter "1 + dlnf/dlnc" to "Thermodynamic factor". ([#2727](https://github.com/pybamm-team/PyBaMM/pull/2727))

pybamm/input/parameters/lead_acid/Sulzer2019.py

@@ -256,8 +256,6 @@ def get_parameter_values():
         "Negative electrode Bruggeman coefficient (electrode)": 1.5,
         "Negative electrode morphological parameter": 0.6,
         "Negative electrode capacity [C.m-3]": 3473000000.0,
-        "Negative electrode cation signed stoichiometry": 1.0,
-        "Negative electrode electrons in reaction": 2.0,
         "Negative electrode exchange-current density [A.m-2]"
         "": lead_exchange_current_density_Sulzer2019,
         "Signed stoichiometry of cations (oxygen reaction)": 4.0,
@@ -291,8 +289,6 @@ def get_parameter_values():
         "Positive electrode Bruggeman coefficient (electrode)": 1.5,
         "Positive electrode morphological parameter": 0.6,
         "Positive electrode capacity [C.m-3]": 2745000000.0,
-        "Positive electrode cation signed stoichiometry": 3.0,
-        "Positive electrode electrons in reaction": 2.0,
         "Positive electrode exchange-current density [A.m-2]"
         "": lead_dioxide_exchange_current_density_Sulzer2019,
         "Positive electrode oxygen exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Ai2020.py

@@ -618,8 +618,6 @@ def get_parameter_values():
         "Negative particle radius [m]": 5e-06,
         "Negative electrode Bruggeman coefficient (electrolyte)": 2.914,
         "Negative electrode Bruggeman coefficient (electrode)": 0.0,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Negative electrode electrons in reaction": 1.0,
         "Negative electrode charge transfer coefficient": 0.5,
         "Negative electrode double-layer capacity [F.m-2]": 0.2,
         "Negative electrode exchange-current density [A.m-2]"
@@ -656,8 +654,6 @@ def get_parameter_values():
         "Positive electrode surface area to volume ratio [m-1]": 620000.0,
         "Positive electrode Bruggeman coefficient (electrolyte)": 1.83,
         "Positive electrode Bruggeman coefficient (electrode)": 0.0,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode charge transfer coefficient": 0.5,
         "Positive electrode double-layer capacity [F.m-2]": 0.2,
         "Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Chen2020.py

@@ -305,8 +305,6 @@ def get_parameter_values():
         "Negative particle radius [m]": 5.86e-06,
         "Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Negative electrode Bruggeman coefficient (electrode)": 0,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Negative electrode electrons in reaction": 1.0,
         "Negative electrode charge transfer coefficient": 0.5,
         "Negative electrode double-layer capacity [F.m-2]": 0.2,
         "Negative electrode exchange-current density [A.m-2]"
@@ -325,8 +323,6 @@ def get_parameter_values():
         "Positive particle radius [m]": 5.22e-06,
         "Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Positive electrode Bruggeman coefficient (electrode)": 0,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode charge transfer coefficient": 0.5,
         "Positive electrode double-layer capacity [F.m-2]": 0.2,
         "Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Chen2020_composite.py

@@ -406,8 +406,6 @@ def get_parameter_values():
         "Primary: Negative particle radius [m]": 5.86e-06,
         "Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Negative electrode Bruggeman coefficient (electrode)": 0,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Primary: Negative electrode electrons in reaction": 1.0,
         "Negative electrode charge transfer coefficient": 0.5,
         "Negative electrode double-layer capacity [F.m-2]": 0.2,
         "Primary: Negative electrode exchange-current density [A.m-2]"
@@ -425,7 +423,6 @@ def get_parameter_values():
         "": silicon_ocp_delithiation_Mark2016,
         "Secondary: Negative electrode active material volume fraction": 0.015,
         "Secondary: Negative particle radius [m]": 1.52e-06,
-        "Secondary: Negative electrode electrons in reaction": 1.0,
         "Secondary: Negative electrode exchange-current density [A.m-2]"
         "": silicon_LGM50_electrolyte_exchange_current_density_Chen2020,
         "Secondary: Negative electrode density [kg.m-3]": 2650.0,
@@ -440,8 +437,6 @@ def get_parameter_values():
         "Positive particle radius [m]": 5.22e-06,
         "Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Positive electrode Bruggeman coefficient (electrode)": 0,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode charge transfer coefficient": 0.5,
         "Positive electrode double-layer capacity [F.m-2]": 0.2,
         "Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Ecker2015.py

@@ -508,8 +508,6 @@ def get_parameter_values():
         "Negative particle radius [m]": 1.37e-05,
         "Negative electrode Bruggeman coefficient (electrolyte)": 1.6372789338386007,
         "Negative electrode Bruggeman coefficient (electrode)": 0.0,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Negative electrode electrons in reaction": 1.0,
         "Negative electrode exchange-current density [A.m-2]"
         "": graphite_electrolyte_exchange_current_density_Ecker2015,
         "Negative electrode density [kg.m-3]": 1555.0,
@@ -528,8 +526,6 @@ def get_parameter_values():
         "Positive electrode Bruggeman coefficient (electrode)": 0.0,
         "Positive electrode exchange-current density [A.m-2]"
         "": nco_electrolyte_exchange_current_density_Ecker2015,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode density [kg.m-3]": 2895.0,
         "Positive electrode specific heat capacity [J.kg-1.K-1]": 1270.0,
         "Positive electrode thermal conductivity [W.m-1.K-1]": 1.04,

pybamm/input/parameters/lithium_ion/Marquis2019.py

@@ -436,8 +436,6 @@ def get_parameter_values():
         "Negative particle radius [m]": 1e-05,
         "Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Negative electrode Bruggeman coefficient (electrode)": 1.5,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Negative electrode electrons in reaction": 1.0,
         "Negative electrode charge transfer coefficient": 0.5,
         "Negative electrode double-layer capacity [F.m-2]": 0.2,
         "Negative electrode exchange-current density [A.m-2]"
@@ -457,8 +455,6 @@ def get_parameter_values():
         "Positive particle radius [m]": 1e-05,
         "Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Positive electrode Bruggeman coefficient (electrode)": 1.5,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode charge transfer coefficient": 0.5,
         "Positive electrode double-layer capacity [F.m-2]": 0.2,
         "Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/Mohtat2020.py

@@ -430,8 +430,6 @@ def get_parameter_values():
         "Negative electrode Bruggeman coefficient (electrode)": 1.5,
         "Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Negative electrode transport efficiency": 0.16,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Negative electrode electrons in reaction": 1.0,
         "Negative electrode reference exchange-current density [A.m-2(m3.mol)1.5]"
         "": 1.061e-06,
         "Negative electrode charge transfer coefficient": 0.5,
@@ -454,8 +452,6 @@ def get_parameter_values():
         "Positive electrode Bruggeman coefficient (electrode)": 1.5,
         "Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Positive electrode transport efficiency": 0.16,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode reference exchange-current density [A.m-2(m3.mol)1.5]"
         "": 4.824e-06,
         "Positive electrode charge transfer coefficient": 0.5,

pybamm/input/parameters/lithium_ion/NCA_Kim2011.py

@@ -379,8 +379,6 @@ def get_parameter_values():
         "Negative particle radius [m]": 5.083e-07,
         "Negative electrode Bruggeman coefficient (electrolyte)": 2.0,
         "Negative electrode Bruggeman coefficient (electrode)": 2.0,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Negative electrode electrons in reaction": 1.0,
         "Negative electrode charge transfer coefficient": 0.5,
         "Negative electrode double-layer capacity [F.m-2]": 0.2,
         "Negative electrode exchange-current density [A.m-2]"
@@ -399,8 +397,6 @@ def get_parameter_values():
         "Positive particle radius [m]": 1.633e-06,
         "Positive electrode Bruggeman coefficient (electrolyte)": 2.0,
         "Positive electrode Bruggeman coefficient (electrode)": 2.0,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode charge transfer coefficient": 0.5,
         "Positive electrode double-layer capacity [F.m-2]": 0.2,
         "Positive electrode exchange-current density [A.m-2]"

pybamm/input/parameters/lithium_ion/OKane2022.py

@@ -593,8 +593,6 @@ def get_parameter_values():
         "Negative particle radius [m]": 5.86e-06,
         "Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Negative electrode Bruggeman coefficient (electrode)": 1.5,
-        "Negative electrode cation signed stoichiometry": -1.0,
-        "Negative electrode electrons in reaction": 1.0,
         "Negative electrode charge transfer coefficient": 0.5,
         "Negative electrode double-layer capacity [F.m-2]": 0.2,
         "Negative electrode exchange-current density [A.m-2]"
@@ -628,8 +626,6 @@ def get_parameter_values():
         "Positive particle radius [m]": 5.22e-06,
         "Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
         "Positive electrode Bruggeman coefficient (electrode)": 1.5,
-        "Positive electrode cation signed stoichiometry": -1.0,
-        "Positive electrode electrons in reaction": 1.0,
         "Positive electrode charge transfer coefficient": 0.5,
         "Positive electrode double-layer capacity [F.m-2]": 0.2,
         "Positive electrode exchange-current density [A.m-2]"