Highly Effective Catalytic and Modeling Kinetics of Acetylene Dimerization with a Phosphorus-Doped Activated Carbon-Bifunctional Solid Acid Catalyst

The rationale for stable bifunctional acidic sites on the surface of carbon materials remains a challenge. In this study, phosphorus-doped activated carbon was synthesized through the pyrolysis of phosphoric acid and used in the acetylene dimerization reaction. The bonding of phosphorus to carbon atoms creates Lewis acid sites as a result of the difference in electronegativity. Meanwhile, the pyrolysis of phosphoric acid generates more oxygen-containing groups, enhancing the Brönsted acid sites on the surfaces of carbon materials. The resulting carbon material exhibits a significant number of oxygen functional groups, acid sites, and surface defects, ensuring the ample exposure and availability of catalytic sites to facilitate notable catalytic activity in acetylene dimerization. Theoretical calculations and an empirical dynamics model were developed to investigate the reaction mechanism of acetylene dimerization. This study has the potential to provide insights into optimizing the chemical structure of carbon materials and promoting them in acetylene dimerization or other reactions.