期刊论文、会议论文

Long, Wei

英文

MATEC Web of Conferences

2261-236X

2016

67

06102-null

2016 International Symposium on Materials Application and Engineering (SMAE 2016)

MATEC Web of Conferences

2016-01-01

Chiang Mai, Thailand

[Long, Wei;Yan, Xue-Ming;Yang, Xing-Yue;Hu, Nian] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.

Engineering and Industry Technology Institute

Jawaid, M Kenawy, ER

17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE

EDP Sciences

10.1051/matecconf/20166706102

supported by the Natural Science Foundation of China(No.21163004)

本校为第一且通讯机构

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,...