Kinetics of Coke Gasification Reaction Catalyzed by Alkali Carbonates

Coke is the main material of blast furnace (BF), and its reaction speed has an important influence on BF smooth operation. The coke reactivity is mainly affected by coke structure and mineral catalysis. The objective of the present work is to expand the catalytic mechanism of alkali carbonates on coke gasification reaction. Thermogravimetric equipment was used to carry out the non-isothermal analysis experiment and the isothermal analysis experiment. The software (FactSage 6.2) was used to carry out the thermodynamic calculation for gasification of alkali carbonates. Then, the interaction of surface activated oxygen species of C6 clusters and alkali carbonates, the adsorption, and subsequent desorption behaviors of CO2 on the oxygen vacant surface of Na2O and K2O were systematically studied by using the first-principle method based on density functional theory. The reaction path of carbon–oxygen catalytic gasification was theoretically analyzed to explain the reaction mechanism of catalytic gasification.