Checking to see what I changed since then

.gitignore

@@ -11,3 +11,4 @@ build/
 dist/
 .virtual_documents/
 **.gif
+.lh/.lhignore

docs/examples/03 Running a simulation.ipynb

@@ -759,7 +759,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.10.0"
+   "version": "3.10.13"
   }
  },
  "nbformat": 4,

pyproject.toml

@@ -0,0 +1,38 @@
+[build-system]
+requires = ["setuptools>=45", "setuptools_scm[toml]>=6.2"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "ecm"
+description = "Equivalent Circuit Model for battery modelling using PyBaMM"
+version = "0.0.3"
+authors = [
+    {name = "Tom Tranter", email = "[email protected]"},
+]
+classifiers = [
+    "Development Status :: 3 - Alpha",
+    "License :: OSI Approved :: MIT License",
+    "Programming Language :: Python",
+    "Topic :: Scientific/Engineering",
+    "Topic :: Scientific/Engineering :: Physics",
+]
+dependencies = [
+    "numba",
+    "liionpack",
+    "pybamm",
+    "openpnm==2.8.2",
+    "ffmpeg-python",
+    "ipywidgets"
+]
+
+[project.urls]
+Documentation = "https://ecm.readthedocs.io/en/latest/"
+Source = "https://github.com/TomTranter/pybamm_pnm"
+Tracker = "https://github.com/TomTranter/pybamm_pnm/issues"
+
+#[tool.setuptools_scm]
+#write_to = "ecm/_version.py"
+
+[tool.setuptools.packages.find]
+where = ["src"]
+include = ["ecm", "ecm.*"]

setup.py → setup_old.py

@@ -30,8 +30,8 @@
     packages=["ecm"],
     install_requires=[
         "numba",
-        "liionpack==0.3.8",
-        "pybamm==23.9",
+        "liionpack>=0.3.8",
+        "pybamm>=23.9",
         "openpnm==2.8.2",
         "ffmpeg-python",
         "ipywidgets"

ecm/__funcs__.py → src/ecm/__funcs__.py

@@ -50,6 +50,7 @@ def adjust_parameters(parameter_values, I_typical):
             # "Typical current [A]": I_typical,
             "Current function [A]": current_function,
             "Electrode height [m]": "[input]",
+            # "Cell volume [m3]": "[input]",
         }
     )
     parameter_values.update({"Current": "[input]"}, check_already_exists=False)
@@ -61,6 +62,7 @@ def output_variables():
     return [
         "Terminal voltage [V]",
         "Volume-averaged cell temperature [K]",
+        "X-averaged cell temperature [K]",
         "Current collector current density [A.m-2]",
         "X-averaged negative electrode extent of lithiation",
         "X-averaged positive electrode extent of lithiation",
@@ -69,33 +71,27 @@ def output_variables():
         "X-averaged battery concentration overpotential [V]",
         "X-averaged battery electrolyte ohmic losses [V]",
         "X-averaged battery solid phase ohmic losses [V]",
+        "X-averaged negative particle surface concentration [mol.m-3]",
+        "X-averaged positive particle surface concentration [mol.m-3]",
         "Battery open-circuit voltage [V]",
-        # 'Ambient temperature [K]',
-        'Volume-averaged ambient temperature [K]',
-        # 'Cell temperature [K]',
-        # 'Negative current collector temperature [K]',
-        # 'Positive current collector temperature [K]',
-        'X-averaged cell temperature [K]',
-        'Volume-averaged cell temperature [K]',
-        # 'Negative electrode temperature [K]',
-        'X-averaged negative electrode temperature [K]',
-        # 'Separator temperature [K]',
-        'X-averaged separator temperature [K]',
-        # 'Positive electrode temperature [K]',
-        'X-averaged positive electrode temperature [K]',
-        # 'Ambient temperature [C]',
-        # 'Volume-averaged ambient temperature [C]',
-        # 'Cell temperature [C]',
-        # 'Negative current collector temperature [C]',
-        # 'Positive current collector temperature [C]',
-        # 'X-averaged cell temperature [C]',
-        # 'Volume-averaged cell temperature [C]',
-        # 'Negative electrode temperature [C]',
-        # 'X-averaged negative electrode temperature [C]',
-        # 'Separator temperature [C]',
-        # 'X-averaged separator temperature [C]',
-        # 'Positive electrode temperature [C]',
-        # 'X-averaged positive electrode temperature [C]'
+        "Volume-averaged irreversible electrochemical heating [W.m-3]",
+        "X-averaged irreversible electrochemical heating [W.m-3]",
+        "X-averaged reversible heating [W.m-3]",
+        "X-averaged total heating [W.m-3]",
+        "Volume-averaged reversible heating [W.m-3]",
+        'X-averaged Ohmic heating [W.m-3]',
+        'Volume-averaged Ohmic heating [W.m-3]',
+        'Negative current collector temperature [C]',
+        'Positive current collector temperature [C]',
+        'X-averaged cell temperature [C]',
+        'Volume-averaged cell temperature [C]',
+        'X-averaged negative electrode temperature [C]',
+        'X-averaged separator temperature [C]',
+        'X-averaged positive electrode temperature [C]',
+        "Total heating [W]",
+        "Total heating per unit electrode-pair area [W.m-2]",
+        "Volume-averaged total heating [W.m-3]",
+        "X-averaged total heating [W.m-3]",
     ]
 
 
@@ -196,6 +192,7 @@ def setup_geometry(net, dtheta, spacing, length_3d):
     rPs = geo["pore.arc_index"][net["throat.conns"]]
     sameR = rPs[:, 0] == rPs[:, 1]
     geo["throat.area"] = spacing * length_3d
+    geo['throat.xarea'] = length_3d * geo['throat.radial_position'] * drad
     geo["throat.electrode_height"] = geo["throat.radial_position"] * drad
     geo["throat.area"][sameR] = geo["throat.electrode_height"][sameR] * length_3d
     geo["throat.volume"] = 0.0
@@ -239,7 +236,7 @@ def apply_heat_source(project, Q):
     phys = project.physics()["phys_01"]
     spm_Ts = net.throats("spm_resistor")
     phys["throat.heat_source"] = 0.0
-    phys["throat.heat_source"][spm_Ts] = Q
+    phys["throat.heat_source"][spm_Ts] = Q * 2
     phys.add_model(
         propname="pore.heat_source",
         model=op.models.misc.from_neighbor_throats,
@@ -252,22 +249,30 @@ def apply_heat_source_lp(project, Q):
     # The SPMs are defined at the throat but the pores represent the
     # Actual electrode volume so need to interpolate for heat sources
     phys = project.physics()["phys_01"]
-    phys["throat.heat_source"] = Q
+    phys["throat.heat_source"] = Q 
     phys.add_model(
         propname="pore.heat_source",
         model=op.models.misc.from_neighbor_throats,
         prop="throat.heat_source",
         mode="mean",
     )
 
+    # phys['pore.heat_source'] = phys.interpolate_data(propname='throat.heat_source')
+
+    # print('pore heat', phys['pore.heat_source'].sum())
+    # print('throat heat', phys['throat.heat_source'].sum())
+
 
 def run_step_transient(project, time_step, BC_value, cp, rho, third=False, **kwargs):
     # To Do - test whether this needs to be transient
     net = project.network
     phase = project.phases()["phase_01"]
     phys = project.physics()["phys_01"]
     phys["pore.A1"] = 0.0
-    Q_spm = phys["pore.heat_source"] * net["pore.volume"]
+    Q_spm = phys["pore.heat_source"] #* net["pore.volume"] #* len(net['pore.volume'])
+    # print(Q_spm.max(), Q_spm.min())
+    # print('total W heat produced',Q_spm.sum())
+    # print('total pore volume', net["pore.volume"].sum())
     # Q_cc = net["pore.cc_power_loss"]
     # print(
     #     "Q_spm",
@@ -283,6 +288,7 @@ def run_step_transient(project, time_step, BC_value, cp, rho, third=False, **kwa
     phys["pore.A2"] = (Q_spm) / (cp * rho)
     # Heat Source
     T0 = phase["pore.temperature"]
+    # print(T0.max(), T0.min())
     t_step = float(time_step / kwargs['t_slice'])
     phys.add_model(
         "pore.source",
@@ -297,15 +303,18 @@ def run_step_transient(project, time_step, BC_value, cp, rho, third=False, **kwa
         phase=phase,
         conductance="throat.conductance",
         quantity="pore.temperature",
+        pore_volume="pore.volume",
         t_initial=0.0,
         t_final=time_step,
         t_step=t_step,
-        t_output=t_step,
+        t_output=time_step,
         t_tolerance=1e-9,
         t_precision=kwargs['t_precision'],
         rxn_tolerance=1e-9,
         t_scheme="implicit",
     )
+    alg.settings['cache_A'] = False
+    # print(phase['throat.conductance'].max(),phase['throat.conductance'].min())
     alg.set_IC(values=T0)
     bulk_Ps = net.pores("free_stream", mode="not")
     alg.set_source("pore.source", bulk_Ps)
@@ -317,6 +326,9 @@ def run_step_transient(project, time_step, BC_value, cp, rho, third=False, **kwa
         Ps = net.pores("free_stream")
     alg.set_value_BC(Ps, values=BC_value)
     alg.run()
+
+    # plt.plot(alg["pore.temperature"])
+    # plt.show()
     # print(
     #     "Max Temp",
     #     np.around(alg["pore.temperature"].max(), 3),
@@ -556,10 +568,10 @@ def lump_thermal_props(param):
         for j, l in enumerate(layers):
             all_props[i][j] = param[l + " " + prop]
     # Break them up
-    lens = all_props[:, 0]
-    rhos = all_props[:, 1]
-    Cps = all_props[:, 2]
-    ks = all_props[:, 3]
+    lens = all_props[0,:]
+    rhos = all_props[1,:]
+    Cps = all_props[2,:]
+    ks = all_props[3,:]
     # Lumped props
     rho_lump = np.sum(lens * rhos) / np.sum(lens)
     Cp_lump = np.sum(lens * rhos * Cps) / np.sum(lens * rhos)

ecm/__init__.py → src/ecm/__init__.py

@@ -13,4 +13,5 @@
 from .__topology__ import *
 from .__battery__ import *
 from .__liionsolve__ import *
-__version__ = "0.0.2"
+from .autofit_jellyroll import *
+__version__ = "0.0.3"