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It is arguably unlikely that the global optimum of the 26-dimensional parameter space can be found this way. Also, it is obvious from the results that the match is indeed still far from perfect. Nevertheless, this multi-step, hierarchical fitting process allows for a systematical and deterministic calibration of the model with the limited set of reference data available. Table 5.2: Parameters adjusted to match experimental results in the calibrated multi- step model. See Tab. A.7 on page 152 for a comprehensive list of all param- eters used for the simulations. Cathode volume fractions εn S8 Li2 S Li2S (passive) carbon binder (SBR) electrolyte void (Ar) Surface areas A0 carbon|electrolyte S8 |electrolyte Li2 S|electrolyte Area-specific capacity Cdl carbon|electrolyte lithium|electrolyte 0.04140 0.00120 0.10549 0.03248 0.02800 0.69143 0.10000 1.1 · 107 m2 · m−3 1.4 · 106 m2 · m−3 1.2 · 106 m2 · m−3 0.2 F · m−2 0.2 F · m−2 Surface resistivity expression Eq. (4.26) rcarbon 40 nm ξ1 5.0nm ξ2 1.9 · 109 Gibbs free energy g0 of dissolved species and initial 0.0 kJ · mol−1 non-reactive non-reactive −309.7 kJ · mol−1 −354.1 kJ · mol−1 2Note: The concentration of Li+ negatively charged ions to the 10th digit. concentrations2 1.50 mol · l−1 1.00 mol · l−1 0.50 mol · l−1 6.19 · 10−25 mol · l−1 3.65 · 10−19 mol · l−1 but equal to the total concentration of Li+ TFSI− NO3− S2− S2− 2 is not exactly 1.50 mol · l−1 , 115PDF Image | Lithium-Sulfur Battery: Design, Characterization, and Physically-based Modeling
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