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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precipitated in place. The CTR rate was lowered subsequently until the rate of Li2S formation was slow enough, so that the above-mentioned one ppm per cycle is not exceeded. The values of the additional parameters are listed in Tab. 5.3. Table 5.3: Additional parameters for the polysulfide shuttle model. Reaction rate scaling factors ξq ξCTR 2.5 · 10−22 ξprecip 1.0 Initial anode volume fractions εn Lithium 0.37 Li2 S 0.00 Electrolyte 0.63 With this parametrization, the effect on discharge and charge profiles is presented in Fig. 5.29. The overall shape of the profiles is not strongly affected, except for the position of the end of charge: The steep voltage rise that usually triggers the end of charge is shifted to the left on the capacity axis, way into the negative range: More charge is transferred into the cell than extracted in either the previous or the following discharge half-cycle. This is possible because the shuttle mechanism allows the cell to accept charge without changing the SoC. 2.8 2.4 2.0 Figure 5.29: Effect of the polysulfide shuttle on discharge/charge profiles. Note that the capacity axis extends below zero, since more charge is transferred into the cell than extracted in the previous discharge. without PS shuttle with PS shuttle 130 -50 0 50 100 150 200 250 300 Capacity / Ah/kgS Cell voltage / V

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