Dynamic mechanism of CO2 capture from flue gas via hydrate-based method induced by using IB group transition metal functionalized carbon nanotubes

Capturing CO 2 emitted from industrial power plants is the most efficient method for reducing global carbon emissions at present. In this work, the enhanced dynamic mechanism of CO 2 capture from flue gas has been investigated through IB group transition metal functionalized carbon nanotubes (CNTs) as kinetic accelerators via the hydrate-based approach in combination with theoretical calculations and experiments. The computational results revealed that the both the hydrophilic oxygen-containing group and Cu modified CNTs not only enhanced the CO 2 adsorption ability but also exhibited high selectivity towards CO 2 . Importantly, experiments demonstrated that the multi-walled carbon nanotubes (MWCNTs) based accelerators significantly enhanced the dynamic performance of the hydrate formation , substantially increasing gas consumption and CO 2 separation efficiency. Particularly, the theoretical selected Cu@FMWCNTs mixed with THF accelerators exhibited superior kinetic indexes during the hydrate formation even under relative low pressure at 1.5 MPa with the largest CO 2 separation efficiency of 76.49%, which showed Cu@FMWCNTs to be a potential kinetic accelerator for CO 2 capture. This study could provide valuable findings for nanomaterial design of novel hydrate accelerators and facilitate the development of the hydrate-based technology for CO 2 capture from the economic perspective of low energy consumption.