Monte Carlo simulations of oscillations

被引：13
|
作者：
Jansen, APJ
机构：
[1] Lab. of Inorg. Chem. and Catalysis, Eindhoven University of Technology
来源：
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL | 1997年 / 119卷 / 1-3期
关键词：
Monte Carlo; lattice-gas model; oscillatory reactions;
D O I：
10.1016/S1381-1169(96)00476-1
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Results of Monte Carlo simulations of CO oxidation with site blocking, and of the Lotka model (A(gas) --> A(ads), B(ads) --> B(gas), A(ads) + B(ads) --> 2B(ads)) are presented. The introduction of a site blocking adsorbate can lead to oscillations in do oxidation. The system is bistable for certain coverages of the site blocking adsorbate; adsorption and desorption of that adsorbate drive the system from one stable state to the other and back The oscillations in the Lotka model are due to avalanches of A's that are converted into B's by the autocatalytic step. Normal rate equations are unable to describe these systems correctly.
引用
收藏
页码：125 / 134
页数：10
相关论文
共 50 条
  • [1] Monte Carlo simulations of oscillations in the oxidation of CO on Pt at atmospheric pressure
    Sander, LM
    Ghaisas, SV
    [J]. SURFACE SCIENCE, 1997, 391 (1-3) : 125 - 133
  • [2] Monte Carlo simulations
    Dapor, M
    [J]. ELECTRON-BEAM INTERACTIONS WITH SOLIDS: APPLICATION OF THE MONTE CARLO METHOD TO ELECTRON SCATTERING PROBLEMS, 2003, 186 : 69 - 90
  • [3] Monte Carlo neutrino oscillations
    Kneller, JP
    McLaughlin, GC
    [J]. PHYSICAL REVIEW D, 2006, 73 (05):
  • [4] Monte Carlo simulations of oscillations, chaos and pattern formation in heterogeneous catalytic reactions
    Zhdanov, VP
    [J]. SURFACE SCIENCE REPORTS, 2002, 45 (7-8) : 233 - 326
  • [5] Quantum Monte Carlo Simulations
    Troyer, Matthias
    Werner, Philipp
    [J]. LECTURES ON THE PHYSICS OF STRONGLY CORRELATED SYSTEMS XIII, 2009, 1162 : 98 - 173
  • [6] Monte-Carlo simulations
    Giersz, M
    [J]. DYNAMICAL EVOLUTION OF STAR CLUSTERS - CONFRONTATION OF THEORY AND OBSERVATIONS, 1996, (174): : 101 - 110
  • [7] Multicanonical Monte Carlo simulations
    Berg, BA
    [J]. MONTE CARLO AND QUASI-MONTE CARLO METHODS 2000, 2002, : 168 - 180
  • [8] Monte Carlo simulations of alloys
    [J]. DISORDERED ALLOYS: DIFFUSE SCATTERING AND MONTE CARLO SIMULATIONS, 1998, 141 : 31 - +
  • [9] Monte Carlo simulations in zeolites
    Smit, B
    Krishna, R
    [J]. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 2001, 5 (05): : 455 - 461
  • [10] Monte Carlo cell simulations
    Athale C.
    [J]. Genome Biology, 3 (1)
12345