CAS OpenIR  > 多相复杂系统国家重点实验室
Structural characteristics of adlayer in heterogeneous catalysis
Sun, Fei1,2; Huang, Wen Lai1; Li, Jinghai1
2016-10-22
Source PublicationCHEMICAL ENGINEERING SCIENCE
ISSN0009-2509
Volume153Issue:OCTPages:87-92
AbstractThis 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.
KeywordHeterogeneous Structure Shannon Entropy Dominant Mechanism Competition Compromise Mesoscale
SubtypeArticle
WOS HeadingsScience & Technology ; Technology
DOI10.1016/j.ces.2016.07.014
Indexed BySCI
Language英语
WOS KeywordKINETIC PHASE-TRANSITIONS ; SURFACE-REACTION MODEL ; OXIDATION ; DYNAMICS
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
Funding OrganizationNational Natural Science Foundation of China(91334102 ; Research Center for Mesoscience at Institute of Process Engineering, Chinese Academy of Sciences(COM2015A002) ; 91534104)
WOS IDWOS:000381924900008
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/21289
Collection多相复杂系统国家重点实验室
Affiliation1.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
Recommended Citation
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.
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