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Updating citation info in electrochemistry/lithium_ion_battery.ipynb.
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decaluwe authored and bryanwweber committed Jul 2, 2020
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Showing 1 changed file with 21 additions and 7 deletions.
28 changes: 21 additions & 7 deletions electrochemistry/lithium_ion_battery.ipynb
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"\n",
"The routine below returns the cell voltage (in Volt) of a lithium-ion cell for a given cell current and active material lithium stoichiometries.\n",
"\n",
"Note that the function 'E_cell' below has even greater capabilities than what we use, here. It calculates the steady state cell voltage, at a given composition and cell current, for a given electrolyte ionic resistance. This functionality is presented in greater detail in the reference (which also describes the derivation of the BinarySolutionTabulatedThermo class): M. Mayur, S. DeCaluwe, B. L. Kee, W. G. Bessler, \"Modeling thermodynamics and kinetics of intercalation phases for lithium-ion batteries in open source software\", currently under review at _Electrochimica Acta_. In the future, this example may be developed further to demonstrate simulating charge-discharge of the lithium ion battery.\n",
"Note that the function 'E_cell' below has even greater capabilities than what we use, here. It calculates the steady state cell voltage, at a given composition and cell current, for a given electrolyte ionic resistance. This functionality is presented in greater detail in the reference (which also describes the derivation of the BinarySolutionTabulatedThermo class): \n",
"\n",
">M. Mayur, S. C. DeCaluwe, B. L. Kee, W. G. Bessler, “Modeling and simulation of the thermodynamics of lithium-ion battery intercalation materials in the open-source software Cantera,” _Electrochim. Acta_ 323, 134797 (2019), https://doi.org/10.1016/j.electacta.2019.134797\n",
"\n",
"In the future, this example may be developed further to demonstrate simulating charge-discharge of the lithium ion battery.\n",
"\n",
"\n",
"Other than the typical Cantera dependencies, plotting functions require that you have matplotlib installed, and finding the electrode potentials uses Scipy's fsolve. See https://matplotlib.org/ and https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.fsolve.html for additional info.\n",
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{
"cell_type": "code",
"execution_count": 2,
"metadata": {},
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"import numpy as np\n",
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{
"cell_type": "code",
"execution_count": 3,
"metadata": {},
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"inputCTI = 'data/lithium_ion_battery.cti'\n",
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{
"cell_type": "code",
"execution_count": 4,
"metadata": {},
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"# Array of lithium mole fractions in the anode:\n",
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{
"cell_type": "code",
"execution_count": 5,
"metadata": {},
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"phases = [anode, elde, elyte, cathode, anode_interface, cathode_interface];\n",
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{
"cell_type": "code",
"execution_count": 6,
"metadata": {},
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"def anode_curr(phi_l,I_app,phi_s,X_Li_an):\n",
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"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.8"
"version": "3.5.2"
}
},
"nbformat": 4,
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