Abstract: Computational fluid dynamics （CFD） technology, as a powerful numerical simulation tool, provides crucial theoretical support for agitator design. This paper outlines the applicability and limitations of two-phase flow models and turbulence models, highlighting the advantages of double-layer impeller optimization in enhancing mixing efficiency and heat transfer performance. It also emphasizes the need to develop more advanced models and integrate new technologies to advance the precision and intelligent application of numerical simulation. This will provide robust theoretical support and effective technical means for optimizing mixing equipment and enhancing energy efficiency in industrial processes.