Effects of reaction conditions on iron-catalyzed fischer-tropsch synthesis: a kinetic monte carlo study
文献类型：期刊论文
| 作者 | Tian, Lei1,2; Huo, Chun-Fang1; Cao, Dong-Bo1; Yang, Yong1; Xu, Jian1; Wu, Bao-Shan1; Xiang, Hong-Wei1; Xu, Yuan-Yuan1; Li, Yong-Wang1 |
| 刊名 | Journal of molecular structure-theochem
 |
| 出版日期 | 2010-02-15 |
| 卷号 | 941期号:1-3页码:30-35 |
| 关键词 | Fischer-tropsch synthesis Kinetic monte carlo simulation Process conditions |
| ISSN号 | 0166-1280 |
| DOI | 10.1016/j.theochem.2009.10.032 |
| 通讯作者 | Li, yong-wang(ywl@sxicc.ac.cn) |
| 英文摘要 | Kinetic monte carlo simulations were carried out for fischer-tropsch synthesis in a wide range of industrially relevant reaction conditions. the macroscopic performance of different reaction conditions obtained from simulations quite agrees with experimental trends. in all examined conditions, h and co are dominant species on catalyst surface. the rest intermediates only exist in small amount, and are controlled by h and co coverages. activity and selectivity for fischer-tropsch synthesis and water gas shift reaction are determined by surface h/co ratio. reaction conditions can directly change surface coverage of h, co, and vacant sites, and consequently exert an influence on macroscopic performance of iron catalyst. (c) 2010 published by elsevier b.v. |
| WOS关键词 | TRANSITION-METAL SURFACES ; ETHYLENE HYDROGENATION ; CO HYDROGENATION ; SIMULATION ; MECHANISM ; DECOMPOSITION ; TEMPERATURE ; PROPAGATION ; METHANATION ; ENERGY |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Physical |
| 语种 | 英语 |
| WOS记录号 | WOS:000274678800004 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2407203 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Li, Yong-Wang |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Coal Convers, Inst Coal Chem, Taiyuan 030001, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Tian, Lei,Huo, Chun-Fang,Cao, Dong-Bo,et al. Effects of reaction conditions on iron-catalyzed fischer-tropsch synthesis: a kinetic monte carlo study[J]. Journal of molecular structure-theochem,2010,941(1-3):30-35. |
| APA | Tian, Lei.,Huo, Chun-Fang.,Cao, Dong-Bo.,Yang, Yong.,Xu, Jian.,...&Li, Yong-Wang.(2010).Effects of reaction conditions on iron-catalyzed fischer-tropsch synthesis: a kinetic monte carlo study.Journal of molecular structure-theochem,941(1-3),30-35. |
| MLA | Tian, Lei,et al."Effects of reaction conditions on iron-catalyzed fischer-tropsch synthesis: a kinetic monte carlo study".Journal of molecular structure-theochem 941.1-3(2010):30-35. |
入库方式： iSwitch采集
来源：中国科学院大学
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。