Experimental and theoretical studies on the reactivity and reaction mechanism of LaMnO3 with CO in chemical looping combustion

Review and Outlook of Theoretical Understanding on Pollutants Reaction Mechanism during Chemical Looping Combustion

“…The current researches focus on the release of SO 2 under the different conditions, such as reaction temperatures, the ratio of oxygen carrier to fuel, residence time of half coke, and so on. , Besides, the interaction of sulfur with oxygen carriers is likely to produce metal sulfides, such as Ni 3 S 2 , FeS, and Cu 2 S, thereby reducing the reactivity of oxygen carriers. − However, it is difficult to obtain a detailed reaction mechanism between sulfur-containing pollutants and oxygen carriers only through experimental measurements. DFT calculations can be used to elucidate the microscopic reaction mechanism of complex experiments. , Therefore, the reaction mechanism of sulfur-containing pollutants with oxygen carriers is discussed based on DFT calculations in this section.…”