Structural characteristics of adlayer in heterogeneous catalysis
文献类型：期刊论文
| 作者 | Sun, Fei1,2; Huang, Wen Lai1; Li, Jinghai1 |
| 刊名 | CHEMICAL ENGINEERING SCIENCE
 |
| 出版日期 | 2016-10-22 |
| 卷号 | 153期号:OCT页码:87-92 |
| 关键词 | Heterogeneous structure Shannon entropy Dominant mechanism Competition Compromise Mesoscale |
| ISSN号 | 0009-2509 |
| 英文摘要 | This paper explores the adsorbate distributions in the adlayer for a model system of heterogeneous catalysis, A+B -> AB. Relevant kinetic mechanisms are revealed in terms of Shannon entropy via kinetic Monte Carlo (KMC) simulations. It is reckoned that reactions account for the clustering of the adsorbates, whereas diffusion and desorption tend to homogenize the adsorbate distribution besides adsorption, and diffusion exhibits a relatively stronger role. The clustering tendency seems to compete with the homogenizing one, showing alternate dominance in microscale space and time. The compromise between these two tendencies was reflected as the extremal tendencies at the mesoscale and the macroscale. However, such extremal tendencies can be maximization or minimization of Shannon entropy, depending on the choice of the initial state, implying the insufficiency of a single extremal function of Shannon entropy. (C) 2016 Elsevier Ltd. All rights reserved. |
| WOS标题词 | Science & Technology ; Technology |
| 类目[WOS] | Engineering, Chemical |
| 研究领域[WOS] | Engineering |
| 关键词[WOS] | KINETIC PHASE-TRANSITIONS ; SURFACE-REACTION MODEL ; OXIDATION ; DYNAMICS |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000381924900008 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/21289]  |
| 专题 | 过程工程研究所_多相复杂系统国家重点实验室 |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, POB 353, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Sun, Fei,Huang, Wen Lai,Li, Jinghai. Structural characteristics of adlayer in heterogeneous catalysis[J]. CHEMICAL ENGINEERING SCIENCE,2016,153(OCT):87-92. |
| APA | Sun, Fei,Huang, Wen Lai,&Li, Jinghai.(2016).Structural characteristics of adlayer in heterogeneous catalysis.CHEMICAL ENGINEERING SCIENCE,153(OCT),87-92. |
| MLA | Sun, Fei,et al."Structural characteristics of adlayer in heterogeneous catalysis".CHEMICAL ENGINEERING SCIENCE 153.OCT(2016):87-92. |
入库方式： OAI收割
来源：过程工程研究所
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