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Mechanisms on Synergetic Catalysis Crackingof CO/CH4 on Ni(111)(PDF)

南京师范大学学报（工程技术版）[ISSN:1006-6977/CN:61-1281/TN]

Issue:
2019年01期
Page:
72-
Research Field:
化学工程
Publishing date:

Info

Title:
Mechanisms on Synergetic Catalysis Crackingof CO/CH4 on Ni(111)
Author(s):
Wang Xinye1; 2; Li Jingyi1; 2; Du Rong1; 2; Zhang Jubing1; 2; Bu Changsheng1; 2; Chen Dandan1; 2; Piao Guilin1; 2
(1.School of Energy and Mechanical Engineering,Nanjing Normal University,Nanjing 210042,China)(2.Jiangsu Provincial Key Laboratory of Materials Cycling and Pollution Control,Nanjing Normal University,Nanjing 210042,China)
Keywords:
methane; carbon monoxide; catalytic decomposition; nickel; synergetic
PACS:
TQ546
DOI:
10.3969/j.issn.1672-1292.2019.01.010
Abstract:
The previous studies have found that CO/CH4 two-component system has a significant synergistic effect during catalysis cracking. This paper analyzes the mechanisms of this synergistic effect by theoretical calculation. The rate-determining steps of CH4 cracking process are the dissociation of the first H atom and the last H atom with the reaction energy barriers of 106 kJ/mol and 131 kJ/mol,respectively. CO is cracked directly into C and O on the Ni(111)surface with the reaction energy barrier of 362 kJ/mol. During the catalytic cracking of CO/CH4,the O atom from CO cracking changes the path of the final step of CH4 cracking by the step of CH+O→CHO→C+OH,which has lower reaction energy barrier than CH direct cracking. The H atom from CH4 cracking changes the path of CO cracking by the step of CO+H→COH→C+OH,which has lower reaction energy barrier than CO direct cracking. The intermediate product OH changes the path of the final step of CH4 cracking by the step of CH+OH→CHOH→C+H2O,which has lower reaction energy barrier than CH direct cracking.

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Last Update: 2019-03-30