胺改性粉煤灰基多孔材料的CO2吸附性能OA

Silica-based porous materials were prepared by hydrothermal templating method using fly ash as the silica source,and it is found that the purity of silica source and the morphology of silica source significantly affect the pore structure of the materials.The optimal material SM-4 was amine functionalized using TEPA(tetraethy-lenepentamine)and the CO2 adsorption performance were tested on a thermogravimetric analyzer.The results show that the CO2 adsorption capacity of 59TEPA/SM-4 is 4.23 mmol/g at 75 ℃ pure CO2,which is doubled compared with that of SM-4.—NH is the main active group for CO2 adsorption of 59TEPA/SM-4,which reacts with CO2 to form carbamates and carbamates esters.Based on the simulation of CO2 adsorption on SiO2 carrier and amine-modified silica-based materials by DFT,the adsorption energy before and after amine modification can be increased from about-0.2 eV up to-3.297 eV.Which indicates that the amine modification enhances the chemical adsorption performance of silica-based material on CO2,and the result is in line with the experimental result.