Unified Mechanism of Alkali and Alkaline Earth Catalyzed Gasification Reactions of Carbon by CO2 and H2O

摘要: From molecular orbital calculations, a unified mechanism is proposed for the gasification reactions of graphite by CO2 and H2O, both uncatalyzed catalyzed alkali alkaline earth catalysts. In this mechanism, there are two types oxygen intermediates that bonded to active edge carbon atoms:  an in-plane semiquinone type, Cf(O), off-plane saturated atoms adjacent species, C(O)Cf(O). The rate-limiting step decomposition these breaking C−C bonds connected Cf(O). A new rate equation derived reactions, readily available from mechanism. can account several unresolved experimental observations:  TPD TK (transient kinetics) desorption results systems, similar activation energies relative activities ...