Abstract In this study, the application of micro-kinetic simulation software MKMCXX in the teaching of chemical kinetics was discussed by means of Rh-catalyzed Fischer-Tropsch synthesis. Based on the energy barriers and reaction energy calculated by density functional theory (DFT), the micro-kinetic model was constructed by MKMCXX software to calculate the intermediate species surface coverage, reaction rate, reaction order and apparent activation energy, which provide students a better understanding of chemical kinetic.
SONG Wei-Yu, CHEN Lu-Lu, DU Yong-Xin, SU Wen-Qing. The Introduction of Micro-Kinetics in Physical Chemistry Teaching: with Rh Catalyzed Fischer-Tropsch Synthesis as Example[J]. Chinese Journal of Chemical Education, 2020, 41(10): 79-82.
