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| 论文编号: |
O120090095 |
| 第一作者所在部门: |
合成油 |
| 中文论文题目: |
Density functional theory study on the hydrodesulfurization reactions of COS and CS2 with Mo3S9 model catalyst
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| 英文论文题目: |
Density functional theory study on the hydrodesulfurization reactions of COS and CS2 with Mo3S9 model catalyst
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| 论文题目英文: |
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| 作者: |
姚晓倩 李永旺
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| 论文出处: |
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| 刊物名称: |
Journal of Molecular Structure-Theochem
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| 年: |
2009
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| 卷: |
899 |
| 期: |
1-3 |
| 页: |
32-41 |
| 联系作者: |
姚晓倩 |
| 收录类别: |
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| 影响因子: |
1.167
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| 摘要: |
The catalytic hydrodesulfurization (HDS) reactions of COS and CS2 with Mo3S9 cluster have been systematically investigated as a part of HDS of industrial feedstocks by DFT-based method. A detailed description of mechanisms is given, and different pathways are discussed and compared. It is found that the S in COS and CS2 will be hydrogenated, and the reactions will lead to formations of H2S, CO and CS. Comparing with COS, CS2 reacts with lower activation free energy and shows more reaction activity. |
| 英文摘要: |
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| 外单位作者单位: |
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| 备注: |
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关闭窗口 |
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