CO2-assisted ethane aromatization over zinc and phosphorous modified ZSM-5 catalysts

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-ZSM5 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.

Automated summary

Experimental studies and DFT calculations were conducted to investigate the tandem reactions of CO2-assisted oxidative dehydrogenation and aromatization (CO2-ODA) of ethane over ZSM-5 modified with zinc (Zn) and phosphorus (P). Results showed that the Zn/P-ZSM-5 catalyst exhibited higher ethane conversion, enhanced aromatics yield, and better stability compared to direct dehydrogenation and aromatization (DDA) reaction. The presence of CO2 reduced carbon deposition, stabilized Zn species, and facilitated the generation of more liquid aromatics in CO2-assisted ethane aromatization. Insights into the mechanisms of CO2-ODA over the Zn/P-ZSM-5 catalyst were provided by in situ characterization and DFT calculations.