Author(s)

Cao Peisen

Corresponding Author

Cao Peisen

ABSTRACT

In this paper, the mechanism of significant synergism between CO and CH4 in Ni catalytic cracking is studied by theoretical calculation. The results show that the first and last H dissociation step is the rate control step in the step-by-step cracking of CH4. CO is directly decomposed into C and O on Ni (111) surface. In the process of CO/CH4 catalytic cracking, the product O of CO cracking can change the pathway of the last step of CH4 cracking, and the reaction energy barrier of this step is lower than that of CH direct cracking. The reaction energy barrier of CH4 pyrolysis product H is lower than that of CO direct pyrolysis reaction. The intermediate product OH can change the last step of CH4 pyrolysis. The step is that the reaction energy barrier of CH4 pyrolysis is lower than that of CH direct pyrolysis reaction.

KEYWORDS

Catalytic cracking mechanism, COCH4, Ni (111)