Lithium-Sulfur Battery: Design, Characterization, and Physically-based Modeling

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Lithium-Sulfur Battery: Design, Characterization, and Physically-based Modeling ( lithium-sulfur-battery-design-characterization-and-physicall )

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Table A.6: Initial set of parameters for the multi-step model (for T = 298 K and p = 101325 Pa). cathode separator anode 151 Thickness: 41 μm Bulk phases Sulfur Carbon Electrolyte Volume fraction 0.16 0.0619 0.778 ε 0 Control volumes: 5 Tortuosity τ0 1.0 1.0 Species Density / Initial concentration 2.07 · 103 kg · m−3 2.26 · 103 kg · m−3 1.20 · 103 kg · m−3 Diffusion coefficient / m2 · s−1 – – – Lithium sulfide (Li2S) Interfaces Sulfur|Electrolyte Carbon|Electrolyte 1·10−4 Specific area AV0 1·105 m2 ·m−3 1·105 m2 ·m−3 1.0 Area-specific capacity Cdl 0F·m−2 1.36F·m−2 S8(ds) Li2 S(s) Reactions Li2 S|Electrolyte Thickness: 9 μm Bulk phases Separator Electrolyte Interfaces: none Thickness: 100 μm Bulk phases Lithium Electrolyte Interface Lithium|Electrolyte 1·105 m2 ·m−3 Volume fraction ε0 0F·m−2 Control volumes: 5 Tortuosity τ0 1.0 1.0 2Li++S2−􏰒Li2S(s) Species Density 1.20 · 103 kg · m−3 0.37 0.63 none see cathode Volume fraction 0.37 0.63 Specific area AV0 1·106 m2 ·m−3 ε0 Control volumes: 5 Tortuosity τ0 1.0 1.0 Species Density 5.34 · 102 kg · m−3 1.20 · 103 kg · m−3 Forward rate constant 4.09 · 10−9 1.0 C4H6O3 Li+ Area-specific capacity Cdl 1.80F·m−2 Li(s) see cathode Reaction Li(s) 􏰒 Li+ + e− Molar Gibbs free energy 0.0 J · mol−1 S8(s) C PF6− S2− 1.024 · 103 mol · m−3 1.023 · 103 mol · m−3 8.46 · 10−10 mol · m−3 5.35 · 10−7 mol · m−3 2.05 · 10−2 mol · m−3 3.31 · 10−1 mol · m−3 1.82 · 10−1 mol · m−3 1.94 mol · m−3 1.64·103kg·m−3 Forward rate constant 1.900 · 102 mol · m−2 · s−1 7.725·1016mol·m−2·s−1 4.331·1019mol·m−2·s−1 3.193·1017mol·m−2·s−1 2.375·1014mol·m−2·s−1 4.655·1015mol·m−2·s−1 2.750 · 10−2 mol · m−2 · s−1 1 · 10−10 4 · 10−10 4 · 10−10 1 · 10−10 1 · 10−10 6 · 10−10 6 · 10−10 1·10−9 – Reverse rate constant 1.000·103mol·m−2·s−1 2.940 · 10−24 mol · m−2 · s−1 1.190 · 10−20 mol · m−2 · s−1 4.191 · 10−17 mol · m−2 · s−1 7.505 · 10−21 mol · m−2 · s−1 4.738 · 10−19 mol · m−2 · s−1 5.000 · 10−11 mol · m−2 · s−1 S2− 2 S2− 4 S2− 6 S2− 8 S8(s) 􏰒 S8(ds) 1/2S +e−􏰒1/2S2− 8(ds) 3/2S2−+e−􏰒2S2− 8 86 S2−+e−􏰒3/2S2− 64 1/2S2−+e−􏰒S2− 42 1/2S2−+e−􏰒S2− 2

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