Study on NO Heterogeneous Reduction Mechanism under Gasification Condition
Chemisorption of NO and successive heterogeneous reduction mechanisms on the well-defined char models under carbon/char-CO2 gasification condition were investigated using density functional theory at the B3LYP/6-31G (d) level of theory. The characteristics of gasification process were concluded and...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2016-01-01
|
| Series: | Journal of Nanomaterials |
| Online Access: | http://dx.doi.org/10.1155/2016/1735929 |