Thermodynamic and Mechanistic Analyses of Direct CO₂ Methylation with Toluene to para-Xylene.

ABSTRACT: Direct CO₂ methylation with toluene, as one of the CO₂ hydrogenation technologies, exhibits great potential for the CO₂ utilization to produce the valuable para-xylene (PX), but the tandem catalysis remains a challenge for low conversion and selectivity due to the competitive side reactions. The thermodynamic analyses and the comparation with two series of catalytic results of direct CO₂ methylation are conducted to investigate the product distribution and possible mechanism in adjusting the feasibility of higher conversion and selectivity. Based on the Gibbs energy minimization method, the optimal thermodynamic conditions for direct CO₂ methylation are 360-420 °C, 3 MPa with middle CO₂/C₇H₈ rati

SUBMITTER: Yang Y 

PROVIDER: S-EPMC10324061 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature