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Table A.7: Calibrated set of parameters for the multi-step model (for T = 298 K and p = 101325 Pa). Notes: ⋆ (elyte) is a placeholder species, representing the liq- uid electrolyte. Its density is chosen to match the composition of electrolyte #5 in Tab. 2.2 on page 25. 152 cathode separator anode Thickness: 25 μm Bulk phases Sulfur Carbon Styrene-butadiene rubber Electrolyte Volume fraction 0.04140 0.03248 0.02800 ε 0 Control volumes: 5 Tortuosity τ0 1.00 1.00 Species Density / Initial concentration 2.07 · 103 kg · m−3 2.26 · 103 kg · m−3 9.65 · 102 kg · m−3 1.29·103kg·m−3 1.51·103mol·m−3 1.00·103mol·m−3 5.00·102mol·m−3 Diffusion coefficient / m2 · s−1 – – – Lithium sulfide (Li2S) Passive lithium sulfide (p-Li2S) Argon Interfaces Sulfur|Electrolyte Li2 S|Electrolyte Carbon|Electrolyte 0.00120 0.10549 0.10000 Specific area AV0 1.4·106 m2 ·m−3 1.2·106 m2 ·m−3 1.1·107 m2 ·m−3 1.00 1.00 1.00 Area-specific capacity Cdl 0.0F·m−2 S8(ds) Li2 S(s) Li2 S(s) Ar Reactions S8(s) S8(ds) 2Li++S2−Li2S(s) Carbon|Electrolyte interface passivation: Thickness: 25 μm rcarbon = 40.0 nm Control volumes: 5 Tortuosity τ0 1.00 ξ1 =1.9·109 Species Bulk phases Separator Electrolyte Interfaces: none Thickness (active top layer): 1 μm Bulk phases Volume fraction ε0 0.59 0.41 [C3 H6 ]n see cathode Density 9.00 · 102 kg · m−3 1.29 · 103 kg · m−3 – Lithium Electrolyte Interface Lithium|Electrolyte Li(s) see cathode Reaction Li(s) Li+ + e− Molar Gibbs free energy 0.0 J · mol−1 0.69143 (elyte)⋆ – 1 · 10−11 1 · 10−11 1 · 10−11 1 · 10−11 1 · 10−11 1 · 10−11 1 · 10−11 1 · 10−11 1 · 10−11 – – – Molar Gibbs free energy 19.0 J · mol−1 −120.0 kJ · mol−1 −240.0 kJ · mol−1 −201.6 kJ · mol−1 −193.0 kJ · mol−1 −145.7 kJ · mol−1 −132.7 kJ · mol−1 Volume fraction ε0 0.37 0.63 Specific area AV0 3.58 · 106 m2 · m−3 Tortuosity τ0 1.00 1.05 Area-specific capacity Cdl 0.2F·m−2 Species Density 5.34 · 102 kg · m−3 1.29 · 103 kg · m−3 Forward rate constant 4.09 · 10−5 1.00 1.12 [C58 H69 ]n 0.0F·m−2 0.2F·m−2 1/2S +e−1/2S2− 1.77 Control volumes: 3 S8(s) C Li+ TFSI− NO3− S2− 6.19 · 10−25 mol · l−1 3.65 · 10−19 mol · l−1 2.12 · 10−7 mol · l−1 7.16 · 10−4 mol · l−1 2.92 · 10−1 mol · l−1 9.38 mol · l−1 1.64·103kg·m−3 1.64·103kg·m−3 1.78 kg · m−3 Forward rate constant 3.0·10−4 mol·m−2 ·s−1 3.2·1012 mol·m−2 ·s−1 4.0·1014 mol·m−2 ·s−1 4.0·1014 mol·m−2 ·s−1 4.0·1014 mol·m−2 ·s−1 4.0·1011 mol·m−2 ·s−1 4.0·1014 mol·m−2 ·s−1 ξ2=5.0nm S2− 2 S2− 4 S2− 6 S2− 8 8(ds) 3/2S2−+e−2S2− 8 86 S2−+e−3/2S2− 64 1/2S2−+e−S2− 42 1/2S2−+e−S2− 2PDF Image | Lithium-Sulfur Battery: Design, Characterization, and Physically-based Modeling
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