There is a significant amount of low-temperature heat (< 100 °C) available globally from various sources such as geothermal energy, industrial processes, and thermal power plants. Electrochemical and membrane-based methods for harnessing this heat are becoming of greater interest due to their ability to utilize the low temperature energy sources and because they can be sized modularly to fit the power, energy, and spatial requirements of the application. The all-aqueous thermally regenerative ammonia battery (Cuaq-TRAB) is a leading technology in the waste heat to electrical power production space due to recent results showing operational power densities of 25 mW cm-2 with an estimated thermal energy efficiency of 7%, outperforming most technologies in this space. Previous research on the Cuaq-TRAB has shown that the battery suffers from the crossover of ammonia through the membrane which adversely impacts battery performance.To investigate these impacts, we developed a simple numerical model that simulates discharge curves using one fitting parameter to account for parasitic crossover instead of modeling species transport through the membrane. The model was able to replicate experimental data from Cuaq-TRABs with different membrane materials and for multiple applied current densities with < 5% error for average power and energy capacity. Results showed that there is a 20% loss in Cuaq-TRAB energy capacity due to ammonia crossover when compared to a discharge with no parasitic crossover losses. The model was then extended to demonstrate the impact of different changes to the electrolyte chemistry on the resultant power and energy capacities for Cuaq-TRABs. Using this model, we estimate that if chloride was the ligand for the positive electrolyte instead of bromide, it would decrease the power and energy capacity of the battery by 30%. However, considering that an economic analysis showed that chloride is 80% cheaper than bromide, it may be beneficial to consider the use of chloride ligands in this technology despite its worse electrochemical performance.
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