Artificial intelligence-enabled optimization of battery-grade lithium carbonate production†

Abstract

By 2035, the need for battery-grade lithium is expected to quadruple. About half of this lithium is currently sourced from brines and must be converted from lithium chloride into lithium carbonate (Li₂CO₃) through a process called softening. Conventional softening methods using sodium or potassium salts contribute to carbon emissions during reagent mining and battery manufacturing, exacerbating global warming. This study introduces an alternative approach using carbon dioxide (CO_2(g)) as the carbonating reagent in the lithium softening process, offering a carbon capture solution. We employed an active learning-driven high-throughput method to rapidly capture CO_2(g) and convert it to lithium carbonate. The model was simplified by focusing on the elemental concentrations of C, Li, and N for practical measurement and tracking, avoiding the complexities of ion speciation equilibria. This approach led to an optimized lithium carbonate process that capitalizes on CO_2(g) capture and improves the battery metal supply chain's carbon efficiency.