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folders for LGM50 simulations created
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| Name [units],Value,Reference,Notes | ||
| # Empty rows and rows starting with ‘#’ will be ignored,,, | ||
| ,,, | ||
| # Physical constants,,, | ||
| Reference temperature [K],298.15,25C, | ||
| ,,, | ||
| # Macroscale geometry,,, | ||
| Negative current collector width [m],2.5E-05,Scott Moura FastDFN, | ||
| Negative electrode width [m],0.0001,Scott Moura FastDFN, | ||
| Separator width [m],2.5E-05,Scott Moura FastDFN, | ||
| Positive electrode width [m],0.0001,Scott Moura FastDFN, | ||
| Positive current collector width [m],2.5E-05,Scott Moura FastDFN, | ||
| Electrode height [m],0.137,KOKAM SLPB78205130H,Not needed for 1D | ||
| Electrode depth [m],0.207,KOKAM SLPB78205130H,Not needed for 1D | ||
| Negative current collector thickness [m],2.5E-05,Scott Moura FastDFN, | ||
| Positive current collector thickness [m],2.5E-05,Scott Moura FastDFN, | ||
| Negative tab width [m],0.04,,Need to actual value for KOKAM cell | ||
| Negative tab centre y-coordinate [m],0.06,,Need to actual value for KOKAM cell | ||
| Negative tab centre z-coordinate [m],0.137,,Need to actual value for KOKAM cell | ||
| Positive tab width [m],0.04,,Need to actual value for KOKAM cell | ||
| Positive tab centre y-coordinate [m],0.147,,Need to actual value for KOKAM cell | ||
| Positive tab centre z-coordinate [m],0.137,,Need to actual value for KOKAM cell | ||
| ,,, | ||
| # Electrical,,, | ||
| Number of electrodes connected in parallel to make a cell,1,-, | ||
| Number of cells connected in series to make a battery,1,-, | ||
| Lower voltage cut-off [V],3.105,-, | ||
| Upper voltage cut-off [V],4.7,-, | ||
| ,,, | ||
| # Electrolyte properties,,, | ||
| Typical electrolyte concentration [mol.m-3],1000,Scott Moura FastDFN, | ||
| Cation transference number,0.4,Scott Moura FastDFN, | ||
| Typical lithium ion diffusivity [m2.s-1],5.34E-10,Scott Moura FastDFN, | ||
| ,,, | ||
| # Electrode properties,,, | ||
| Negative electrode conductivity [S.m-1],100,Scott Moura FastDFN,graphite | ||
| Positive electrode conductivity [S.m-1],10,Scott Moura FastDFN,lithium cobalt oxide | ||
| Maximum concentration in negative electrode [mol.m-3],24983.2619938437,Scott Moura FastDFN, | ||
| Maximum concentration in positive electrode [mol.m-3],51217.9257309275,Scott Moura FastDFN, | ||
| Negative electrode diffusion coefficient [m2.s-1],3.9E-14,Scott Moura FastDFN, | ||
| Positive electrode diffusion coefficient [m2.s-1],1E-13,Scott Moura FastDFN, | ||
| ,,, | ||
| # Current collector properties ,,, | ||
| Negative current collector conductivity [S.m-1],59600000,LIONSIMBA,carbon | ||
| Positive current collector conductivity [S.m-1],35500000,LIONSIMBA,aluminium | ||
| ,,, | ||
| # Microstructure,,, | ||
| Negative electrode porosity,0.3,Scott Moura FastDFN, | ||
| Separator porosity,1,Scott Moura FastDFN, | ||
| Positive electrode porosity,0.3,Scott Moura FastDFN, | ||
| Negative particle radius [m],1E-05,Scott Moura FastDFN, | ||
| Positive particle radius [m],1E-05,Scott Moura FastDFN, | ||
| Negative electrode surface area density [m-1],180000,Scott Moura FastDFN, | ||
| Positive electrode surface area density [m-1],150000,Scott Moura FastDFN, | ||
| Bruggeman coefficient,1.5,Scott Moura FastDFN, | ||
| ,,, | ||
| # Interfacial reactions,,, | ||
| Negative electrode cation signed stoichiometry,-1,, | ||
| Positive electrode cation signed stoichiometry,-1,, | ||
| Negative electrode electrons in reaction,1,, | ||
| Positive electrode electrons in reaction,1,, | ||
| Negative electrode reference exchange-current density [A.m-2(m3.mol)1.5],2E-05,Scott Moura FastDFN,Be careful how we implement BV | ||
| Positive electrode reference exchange-current density [A.m-2(m3.mol)1.5],6E-07,Scott Moura FastDFN,Be careful how we implement BV | ||
| Reference OCP vs SHE in the negative electrode [V],,, | ||
| Reference OCP vs SHE in the positive electrode [V],,, | ||
| Charge transfer coefficient,0.5,Scott Moura FastDFN, | ||
| Double-layer capacity [F.m-2],0.2,, | ||
| ,,, | ||
| # Density,,, | ||
| Negative current collector density [kg.m-3],8954,, | ||
| Negative electrode density [kg.m-3],1657,, | ||
| Separator density [kg.m-3],397,, | ||
| Positive electrode density [kg.m-3],3262,, | ||
| Positive current collector density [kg.m-3],2707,, | ||
| ,,, | ||
| # Specific heat capacity,,, | ||
| Negative current collector specific heat capacity [J.kg-1.K-1],385,, | ||
| Negative electrode specific heat capacity [J.kg-1.K-1],700,, | ||
| Separator specific heat capacity [J.kg-1.K-1],700,, | ||
| Negative electrode specific heat capacity [J.kg-1.K-1],700,, | ||
| Positive current collector specific heat capacity [J.kg-1.K-1],897,, | ||
| ,,, | ||
| # Thermal conductivity,,, | ||
| Negative current collector thermal conductivity [W.m-1.K-1],401,, | ||
| Negative electrode thermal conductivity [W.m-1.K-1],1.7,, | ||
| Separator thermal conductivity [W.m-1.K-1],0.16,, | ||
| Positive electrode thermal conductivity [W.m-1.K-1],2.1,, | ||
| Positive current collector thermal conductivity [W.m-1.K-1],237,, | ||
| ,,, | ||
| # Thermal parameters,,, | ||
| Heat transfer coefficient [W.m-2.K-1],10,, | ||
| Typical temperature variation [K],2.4,, | ||
| Lumped effective thermal density [J.K-1.m-3],1811600,, | ||
| Effective thermal conductivity [W.m-1.K-1],59.3964,, | ||
| ,,, | ||
| # Activation energies,,, | ||
| Negative reaction rate activation energy [J.mol-1],3.75E+04,, | ||
| Positive reaction rate activation energy [J.mol-1],3.98E+04,, | ||
| Negative solid diffusion activation energy [J.mol-1],4.28E+04,, | ||
| Positive solid diffusion activation energy [J.mol-1],1.86E+04,, | ||
| Electrolyte diffusion activation energy [J.mol-1],3.70E+04,, | ||
| Electrolyte conductivity activation energy [J.mol-1],3.47E+04,, | ||
| ,,, | ||
| # Initial Conditions,,, | ||
| Initial concentration in electrolyte [mol.m-3],1000,Scott Moura FastDFN, | ||
| Initial concentration in negative electrode [mol.m-3],19986.609595075,Scott Moura FastDFN, | ||
| Initial concentration in positive electrode [mol.m-3],30730.7554385565,Scott Moura FastDFN, | ||
| Initial temperature [K],298.15,, |