The tandem reactions of CO₂-assisted oxidative dehydrogenation and aromatization (CO₂-ODA) of ethane were investigated over ZSM-5 modified with zinc (Zn) and phosphorus (P) by experimental studies and DFT calculations. The nature of active Zn species and their interaction with P were elucidated for understanding Zn/P-ZSM-5 catalyzed CO₂-ODA reaction of ethane. Compared to the direct dehydrogenation and aromatization (DDA) reaction, the Zn/P-ZSM-5 catalyst possessed higher ethane conversion, enhanced aromatics yield, and better stability in the CO₂-ODA reaction. The presence of CO₂ reduced the carbon deposition, stabilized the Zn species, and thereby facilitated the generation of more liquid aromatics in CO₂-assisted ethane aromatization. In situ characterization and DFT calculations provided insight into the mechanisms of CO₂-ODA over the Zn/P-ZSM-5 catalyst.

通过实验研究和 DFT 计算，在用锌 (Zn) 和磷 (P) 改性的 ZSM-5 上研究了CO ₂辅助氧化脱氢和乙烷的芳构化 (CO ₂ -ODA)的串联反应。阐明了活性 Zn 物质的性质及其与 P 的相互作用，以了解 Zn/P-ZSM-5 催化的乙烷的CO ₂ -ODA 反应。与直接脱氢芳构化（DDA）反应相比，Zn/P-ZSM-5催化剂在CO ₂ -ODA反应中具有更高的乙烷转化率、更高的芳烃产率和更好的稳定性。CO ₂的存在减少了碳沉积，稳定了 Zn 物种，从而促进了 CO 中更多液态芳烃的生成_2-辅助乙烷芳构化。原位表征和 DFT 计算提供了对 Zn/P-ZSM-5 催化剂上 CO ₂ -ODA机制的深入了解。