A New Reforming Reaction Mechanism of Carbon Dioxide with Methane on Nano Scale Nickel catalyst

被引：0

作者：

Long, Wei ^{[1
]}

Yan, Xue-Ming ^{[1
]}

Yang, Xing-Yue ^{[1
]}

Hu, Nian ^{[1
]}

机构：

[1] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China

来源：

INTERNATIONAL SYMPOSIUM ON MATERIALS APPLICATION AND ENGINEERING (SMAE 2016) | 2016年 / 67卷

关键词：

CO2; SYNGAS;

D O I：

10.1051/matecconf/20166706102

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

The reforming mechanism of CO2-CH4 on Nano scale Ni metal catalyst was investigated using the B3LYP density functional method and MP2/Lanl2dz method. It was found that the reaction include thirteen steps and the activation energy of each step was 44.7175, 200.4707, 171.0781, 307.2596, 124.5252, 330.7904, 593.9056, 177.5526, 226.6793, 277.789 2, 394.5525,399.5340 and 105.4115 kJ.mol(-1). The rate determining step was the fourth step. The enthalpy value of each step was 31.6136, 106.7138,- 104.2589, 79.9641, 93.5573,174.6 121, 259.6409, - 141.9192, - 439.9338, - 265.4756, - 208.3245, 131.6561 and - 86.1765 kJ.mol(-1).

引用

页数：6

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