低碳化学与化工2025，Vol.50Issue(11)：74-85,149,13.DOI:10.12434/j.issn.2097-2547.20240500
煤气中硫化氢和羰基硫的干法脱除/转化机理研究进展
Research progress on dry removal/conversion mechanisms of hydrogen sulfide and carbonyl sulfide in coal gas
摘要
Abstract
The presence of hydrogen sulfide(H2S)and carbonyl sulfide(COS)in coal gas(including gasification gas,coke oven gas and blast furnace gas)can lead to catalyst poisoning,equipment corrosion and environmental pollution,making gas desulfurization crucial.The research progress on the dry gas desulfurization mechanism based on density functional theory(DFT)was summarized.Firstly,the adsorption mechanisms of H2S on the surfaces of various metal oxides,metal-organic framework materials(MOFs)and activated carbon materials were examined,along with an analysis of the desulfurization reaction pathways on commonly used metal oxides in industrial applications.Secondly,the dissociation and reaction mechanisms of O2 on the surface of metal sulfides during the regeneration of desulfurizers were elucidated,further revealing the microscopic mechanisms by which dopant modification influences the desulfurization and regeneration behavior of metal oxides.Additionally,the sulfur release mechanism during desulfurization was analyzed.Regarding the catalytic hydrolysis and hydrogenolysis of COS,the adsorption and transformation mechanisms of COS on catalyst surfaces were explored.Finally,existing challenges in the research field were summarized,and future research directions were proposed.关键词
密度泛函理论/硫化氢/羰基硫/吸附机理/煤气脱硫Key words
density functional theory/hydrogen sulfide/carbonyl sulfide/adsorption mechanism/gas desulfurization分类
化学化工引用本文复制引用
张晓芬,邓一丹,段新伟,米杰,王建成,武蒙蒙..煤气中硫化氢和羰基硫的干法脱除/转化机理研究进展[J].低碳化学与化工,2025,50(11):74-85,149,13.基金项目
国家自然科学基金(22278294,21978188) （22278294,21978188）
山西省自然科学基金(20210302123191) （20210302123191）
山西省科技创新人才团队项目(202204051002025) （202204051002025）
山西省环境催化材料技术创新中心项目(202104010911008). （202104010911008）
