Home

Citation: Zeng Jian-Qing, Zhang Jing-Cheng, Zhong Bing. Monte Carlo Simulation of CO Oxidation Reaction on Fractal Surface[J]. Acta Physico-Chimica Sinica, ;1999, 15(06): 555-559. doi: 10.3866/PKU.WHXB19990614 shu

Monte Carlo Simulation of CO Oxidation Reaction on Fractal Surface

1.
Guangzhou Institute of Chemistry,Chinese Academy of Sciences,Guangzhou 510650

Received Date: 13 July 1998
Available Online: 15 June 1999

The CO oxidation reaction on DLA fractal surface has been studied in detail by Monte Carlo method. It was found that (1) when only adsorption and surface reaction were considered the O atoms and CO molecules on surface would self-organize after a reation period, which greatly decreased the touching chance among different reactant molecules and consequently decreased the reaction rate. Furthermore, O atoms tended to be adsorbed at the center or the inner area of DLA surface while CO molecules could exist only at the exterior; (2) the clusters of O atoms could be cut off by vacant active sites after the introduction of CO diffusion on surface, which would further give rise to accelerateion of the reaction rate; (3) when the reversible adsorption of CO was introduced O atoms and CO molecules could adsorb evenly on the whole DLA surface and then the reaction would be speeded up greatly, which suggested that for a od catalyst the adsorbing strength should be moderate.
- Monte Carlo simulation,
- CO oxidation,
- Fractal surface
1. [1]
  Jiaxuan Zuo , Kun Zhang , Jing Wang , Xifei Li . Nucleation Regulation and Mechanism of Precursors for Nickel Cobalt Manganese-based Cathode Materials in Lithium-Ion Batteries. Acta Physico-Chimica Sinica, 2025, 41(1): 100009-0. doi: 10.3866/PKU.WHXB202404042
2. [2]
  Pingwei Wu . Application of Diamond Software in Simplex Teaching. University Chemistry, 2024, 39(3): 118-121. doi: 10.3866/PKU.DXHX202311043
3. [3]
  Hongli CHEN , Ziling XU , Shiwen DU , Ting WANG , Liguang WU . Controlled preparation of HKUST-1 based on polyvinylpyrrolidone and CO₂ separation performance of its doped mixed-matrix membranes. Chinese Journal of Inorganic Chemistry, 2026, 42(3): 571-583. doi: 10.11862/CJIC.20250263
4. [4]
  Anqun LAI , Qiaoyu WU , Qingqing LIANG , Qiyong LI , Guowen DONG , Yongjie DING , Jia′nan CHEN , Qing YAN , Zhonghua PAN , Wangchuan XIAO . Electrocatalytic water oxidation properties of Nd-Co polynuclear complexes. Chinese Journal of Inorganic Chemistry, 2025, 41(12): 2527-2535. doi: 10.11862/CJIC.20250151
5. [5]
  Mingjie Lei , Wenting Hu , Kexin Lin , Xiujuan Sun , Haoshen Zhang , Ye Qian , Tongyue Kang , Xiulin Wu , Hailong Liao , Yuan Pan , Yuwei Zhang , Diye Wei , Ping Gao . Accelerating the reconstruction of NiSe₂ by Co/Mn/Mo doping for enhanced urea electrolysis. Acta Physico-Chimica Sinica, 2025, 41(8): 100083-0. doi: 10.1016/j.actphy.2025.100083
6. [6]
  Qinhui Guan , Yuhao Guo , Na Li , Jing Li , Tingjiang Yan . Molecular sieve-mediated indium oxide catalysts for enhancing photocatalytic CO₂ hydrogenation. Acta Physico-Chimica Sinica, 2025, 41(11): 100133-0. doi: 10.1016/j.actphy.2025.100133
7. [7]
  Zhao Feifan , Xu Feiyan , Yu Jiaguo . Interfacial stabilization of alkali metal oxides on carbon spheres for high-performance CO₂ chemisorption. Acta Physico-Chimica Sinica, 2026, 42(5): 100234-. doi: 10.1016/j.actphy.2025.100234
8. [8]
  Xudong Lv , Tao Shao , Junyan Liu , Meng Ye , Shengwei Liu . Paired Electrochemical CO₂ Reduction and HCHO Oxidation for the Cost-Effective Production of Value-Added Chemicals. Acta Physico-Chimica Sinica, 2024, 40(5): 2305028-0. doi: 10.3866/PKU.WHXB202305028
9. [9]
  Wenwen Ma , Lian Kong , Jinyang Chu , Li Ma , Ziqing Ma , Heyu Cheng , Xinyuan Li , Zhan Yu , Zhen Zhao . Digitalization-Driven Olefin Production: Digital Design of Catalysts for CO₂-Assisted Oxidation Dehydrogenation of Ethane to Ethylene. University Chemistry, 2026, 41(1): 363-372. doi: 10.12461/PKU.DXHX202506055
10. [10]
  Wensheng Ning , Zonghao Huang , Bo Zhang . 对三组分两对液体部分互溶相图的修正建议. University Chemistry, 2026, 41(9): 392-395. doi: 10.12461/PKU.DXHX202508086
11. [11]
  Bing LIU , Huang ZHANG , Hongliang HAN , Changwen HU , Yinglei ZHANG . Visible light degradation of methylene blue from water by triangle Au@TiO₂ mesoporous catalyst. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 941-952. doi: 10.11862/CJIC.20230398
12. [12]
  Yong Shu , Xing Chen , Sai Duan , Rongzhen Liao . How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H₂. University Chemistry, 2024, 39(7): 386-393. doi: 10.3866/PKU.DXHX202310102
13. [13]
  Hao Ren , Wen Zhao , Fangna Dai , Wenyue Guo . Finite Difference Solution of One-Dimensional Quantum Systems: (1) Fundamental Concepts and Infinite Square Well. University Chemistry, 2025, 40(3): 124-131. doi: 10.12461/PKU.DXHX202405145
14. [14]
  Yujing Chen , Hongqun Ouyang , Dan Zhao , Yanyan Chu , Zhengping Qiao . Recommendations for the Content and Instruction of the Physical Chemistry Experiment “Construction of Ternary Liquid-Liquid Phase Diagrams”. University Chemistry, 2025, 40(7): 359-366. doi: 10.12461/PKU.DXHX202409120
15. [15]
  Huafeng SHI . Construction of MnCoNi layered double hydroxide@Co-Ni-S amorphous hollow polyhedron composite with excellent electrocatalytic oxygen evolution performance. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1380-1386. doi: 10.11862/CJIC.20240378
16. [16]
  Lina Guo , Ruizhe Li , Chuang Sun , Xiaoli Luo , Yiqiu Shi , Hong Yuan , Shuxin Ouyang , Tierui Zhang . Effect of Interlayer Anions in Layered Double Hydroxides on the Photothermocatalytic CO₂ Methanation of Derived Ni-Al₂O₃ Catalysts. Acta Physico-Chimica Sinica, 2025, 41(1): 100002-0. doi: 10.3866/PKU.WHXB202309002
17. [17]
  Wenliang Wang , Weina Wang , Tian Sheng , Nan Wei , Sufan Wang , Tao Zhou . 过渡金属/氧化物催化CO₂加H₂还原生成甲醇的甲酸盐与甲酰基路径的前线轨道对称性分析. University Chemistry, 2026, 41(9): 405-411. doi: 10.12461/PKU.DXHX202508059
18. [18]
  Yufang GAO , Nan HOU , Yaning LIANG , Ning LI , Yanting ZHANG , Zelong LI , Xiaofeng LI . Nano-thin layer MCM-22 zeolite: Synthesis and catalytic properties of trimethylbenzene isomerization reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1079-1087. doi: 10.11862/CJIC.20240036
19. [19]
  Chenye An , Sikandaier Abiduweili , Xue Guo , Yukun Zhu , Hua Tang , Dongjiang Yang . Hierarchical S-scheme Heterojunction of Red Phosphorus Nanoparticles Embedded Flower-like CeO₂ Triggering Efficient Photocatalytic Hydrogen Production. Acta Physico-Chimica Sinica, 2024, 40(11): 2405019-0. doi: 10.3866/PKU.WHXB202405019
20. [20]
  Yi RU , Tao MENG , Zhaoteng XUE , Dongsen MAO . Synergistic catalysis of Al distribution and pore structure in ZSM-5 zeolite for bioethanol-to-propylene. Chinese Journal of Inorganic Chemistry, 2026, 42(2): 247-262. doi: 10.11862/CJIC.20250255

Get Citation

PDF

XML

Metrics

PDF Downloads(2213)
Abstract views(3740)
HTML views(75)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return