| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6640746 | Fuel | 2013 | 8 Pages |
Abstract
⺠Our study investigates reaction mechanism by density functional theory (DFT). ⺠The reductive decomposition process of CaSO4 in chemical looping combustion (CLC) system has been calculated. ⺠The DFT method, we used, can be a reliable method for predicting the reaction mechanism. ⺠A probably mechanism of CaSO4 reacting with CH4 is proposed.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Xuemei Zhang, Xingfu Song, Ze Sun, Ping Li, Jianguo Yu,