Systematically Identifying and Investigating Key Active Component and Its Transformation Mechanism in the Process of Purifying TiCl4 with Organic Reagents

The purity of titanium sponge is crucial for determining the performance of final titanium alloys, underscoring the importance of impurity control in its precursor, TiCl₄. Among these impurities, VOCl₃ is particularly challenging to remove due to its similar boiling point and complete miscibility with TiCl₄. Although organic reagents are widely employed for vanadium removal, their complex compositions complicate the identification of key active components. This study systematically compares the vanadium removal efficiency of six organic compounds bearing different functional groups. Results demonstrate that 1-dodecene exhibits superior performance, achieving a VOCl₃ removal efficiency of 93.35%. Mechanistic studies reveal that 1-dodecene initially undergoes cyclization to form cyclododecane, followed by aromatization and subsequent carbonization through stacking, dehydrogenation, and coking, ultimately yielding partially graphitized amorphous carbon. In this process, VOCl₃ interacts not only with the incompletely carbonized organic precursor but also directly with the alkenes. These findings elucidate the reaction pathway and central role of linear α-alkenes in vanadium removal, providing a theoretical foundation for developing efficient and stable vanadium removal agents.