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2.6 2.4 2.2 2.0 Figure 5.1: Discharge/charge profile resulting from the global model. reaction mechanism, it lacks the typical two voltage plateaus during discharge and the slope during charge. Nevertheless, the OCV of the cell is reasonable as are the geometry and current densities. For this model, the typically used cycling protocol is: Discharge at a nominal rate of C/10 until E ≤ 2.05V, followed by a charge at a nominal rate of C/10 until E ≥ 2.4V. The charge and discharge cutoff voltages are chosen empirically to maximize capacity without simulating the almost vertical slopes at the end of discharge and charge. The results of such a cycling simulation are presented in Fig. 5.1. Since geometry and transport parameters are physically meaningful regardless of the simplified chemistry, this model is perfectly apt for the study of a subset of features of the Li/S cell. This is true in particular for the transport in the liquid electrolyte. The main variables influencing transport are the concentration of ions and the applied current, which are chosen to represent the situation in the Li/S cell faithfully. In order to achieve this, dissolved polysulfides are included in the model, even though they do not participate in any reaction. Their concentrations as well as all other parameters of the model are summarized in Tab. A.5 on page 150. The remainder of this section focuses on transport phenomena and cell composi- tion. To begin with, the distribution of sulfur across the cell is plotted against time in Fig. 5.2. In this simple model, the amount of solid sulfur is directly proportional to the cell’s SoC, which is, in turn, proportional to the discharge time – at least during 92 0 5 10 15 20 Time / h Cell voltage / VPDF Image | Lithium-Sulfur Battery: Design, Characterization, and Physically-based Modeling
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