From 20312badb54c592177b17bc9d2c92d3f593b4ce8 Mon Sep 17 00:00:00 2001 From: Scott Marquis Date: Tue, 3 Mar 2020 10:36:52 +0000 Subject: [PATCH] #834 playing with model parameters --- examples/scripts/sei_growth.py | 58 +++++++++++++++++-- .../lithium-ion/seis/Example/parameters.csv | 3 +- 2 files changed, 55 insertions(+), 6 deletions(-) diff --git a/examples/scripts/sei_growth.py b/examples/scripts/sei_growth.py index 6152fde12c..bdb0ccf256 100644 --- a/examples/scripts/sei_growth.py +++ b/examples/scripts/sei_growth.py @@ -1,24 +1,74 @@ import pybamm as pb -pb.set_logging_level("DEBUG") +pb.set_logging_level("INFO") # pb.settings.debug_mode = True options = {"sei": "reaction limited"} model = pb.lithium_ion.DFN(options) -experiment = pb.Experiment(["Rest for 100 hours"]) +experiment = pb.Experiment( + [ + "Discharge at C/10 for 13 hours or until 3.3 V", + "Rest for 1 hour", + "Charge at 1 A until 4.1 V", + "Hold at 4.1 V until 50 mA", + "Rest for 1 hour", + ] + * 10 +) parameter_values = model.default_parameter_values -sim = pb.Simulation(model, experiment=experiment) +parameter_values.update( + { + "Inner SEI reaction proportion": 0.5, + "Inner SEI partial molar volume [m3.mol-1]": 95.86e-18, + "Outer SEI partial molar volume [m3.mol-1]": 95.86e-18, + "SEI reaction exchange current density [A.m-2]": 1.5e-6, + "SEI resistance per unit thickness [Ohm.m-1]": 1, + "Outer SEI solvent diffusivity [m2.s-1]": 2.5e-22, + "Bulk solvent concentration [mol.m-3]": 2.636e3, + "Ratio of inner and outer SEI exchange current densities": 1, + "Inner SEI open-circuit potential [V]": 0.1, + "Outer SEI open-circuit potential [V]": 0.8, + "Inner SEI electron conducticity [S.m-1]": 8.95e-14, + "Inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-15, + "Lithium interstitial reference concentration [mol.m-3]": 15, + "Initial inner SEI thickness [m]": 7.5e-14, + } +) + +parameter_values.update( + { + "Inner SEI reaction proportion": 0.5, + "Inner SEI partial molar volume [m3.mol-1]": 1, + "Outer SEI partial molar volume [m3.mol-1]": 1, + "SEI reaction exchange current density [A.m-2]": 0.1, + "SEI resistance per unit thickness [Ohm.m-1]": 0, + "Outer SEI solvent diffusivity [m2.s-1]": 1, + "Bulk solvent concentration [mol.m-3]": 1, + "Ratio of inner and outer SEI exchange current densities": 1, + "Inner SEI open-circuit potential [V]": 1, + "Outer SEI open-circuit potential [V]": 1, + "Inner SEI electron conducticity [S.m-1]": 1, + "Inner SEI lithium interstitial diffusivity [m2.s-1]": 1, + "Lithium interstitial reference concentration [mol.m-3]": 1, + "Initial inner SEI thickness [m]": 1, + } +) + +sim = pb.Simulation(model, parameter_values=parameter_values, experiment=experiment) -solver = pb.CasadiSolver(mode="safe") +solver = pb.CasadiSolver(mode="fast") sim.solve(solver=solver) sim.plot( [ "Terminal voltage [V]", + "Total SEI thickness", "X-averaged total SEI thickness", "Loss of lithium to SEI [mols]", + "SEI reaction interfacial current density [A.m-2]", + "X-averaged SEI reaction interfacial current density [A.m-2]", ] ) diff --git a/input/parameters/lithium-ion/seis/Example/parameters.csv b/input/parameters/lithium-ion/seis/Example/parameters.csv index d05005a01b..042dd104a1 100644 --- a/input/parameters/lithium-ion/seis/Example/parameters.csv +++ b/input/parameters/lithium-ion/seis/Example/parameters.csv @@ -5,8 +5,7 @@ Name [units],Value,Reference,Notes Inner SEI reaction proportion,0.5,, Inner SEI partial molar volume [m3.mol-1],95.86E-18, use same value, Outer SEI partial molar volume [m3.mol-1],95.86E-18, use same value, -# SEI reaction exchange current density [A.m-2],1.5E-6, Ramadass paper, -SEI reaction exchange current density [A.m-2],1.5, Ramadass paper, +SEI reaction exchange current density [A.m-2],1.5E-6, Ramadass paper, SEI resistance per unit thickness [Ohm.m-1],1,Ramadass paper, Outer SEI solvent diffusivity [m2.s-1],2.5E-22,Single paper, Bulk solvent concentration [mol.m-3],2.636E3, Ploehn paper,