化学工程2026，Vol.54Issue(6)：35-40,6.DOI:10.3969/j.issn.1005-9954.2026.06.006
胺改性粉煤灰基多孔材料的CO2吸附性能
CO2 adsorption performance of amine-modified fly ash-based porous materials
摘要
Abstract
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.关键词
粉煤灰/硅基材料/胺改性/CO2吸附/密度泛函理论Key words
fly ash/silicon-based material/amine-modified/CO2 adsorption/DFT分类
能源科技引用本文复制引用
宁辉,郑仙荣,李冠宇,张乐,郭百合..胺改性粉煤灰基多孔材料的CO2吸附性能[J].化学工程,2026,54(6):35-40,6.基金项目
山西省自然科学研究面上项目(202303021211066) （202303021211066）
