INVESTIGATION OF THE 1ST-ORDER PHASE-TRANSITION IN THE A-B(2) REACTION MODEL USING A CONSTANT-COVERAGE KINETIC ENSEMBLE

被引:103
作者
ZIFF, RM
BROSILOW, BJ
机构
[1] Department of Chemical Engineering, University of Michigan, Ann Arbor
来源
PHYSICAL REVIEW A | 1992年 / 46卷 / 08期
关键词
D O I
10.1103/PhysRevA.46.4630
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The first-order kinetic transition in the A-B2 (or Ziff-Gulari-Barshad) surface-reaction model [Phys. Rev. Lett. 56, 2553 (1986)] is investigated using a simulation algorithm (or ensemble) in which the coverage of A is held fixed, while the rate y of A adsorption is allowed to vary. This ensemble allows the metastability loop and spinodal point of the phase transition to be carefully examined. The metastable behavior is found to be in qualitative agreement with the predictions of mean-field theory made by Dickman [Phys. Rev. A 34, 4246 (1986)]. Furthermore, the transition point is precisely determined to be y2=0.525 60+/-0.000 01. The metastable behavior near the spinodal point is also investigated using the standard constant-rate algorithm.
引用
收藏
页码:4630 / 4633
页数:4
相关论文
共 22 条
[1]   MONTE-CARLO SIMULATION OF THE OXIDATION OF CARBON-MONOXIDE ON FRACTAL SURFACES [J].
ALBANO, EV .
SURFACE SCIENCE, 1990, 235 (2-3) :351-359
[2]  
ARAYA P, 1989, SURF SCI, V208, pL80
[3]   KINETIC PHASE-TRANSITIONS IN A SURFACE-REACTION MODEL WITH LOCAL INTERACTIONS [J].
BAGNOLI, F ;
SENTE, B ;
DUMONT, M ;
DAGONNIER, R .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (01) :777-780
[4]   A NONEQUILIBRIUM TRICRITICAL POINT IN THE MONOMER DIMER CATALYSIS MODEL [J].
CONSIDINE, D ;
TAKAYASU, H ;
REDNER, S .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1990, 23 (22) :L1181-L1186
[5]   KINETIC PHASE-TRANSITIONS IN A SURFACE-REACTION MODEL - MEAN-FIELD THEORY [J].
DICKMAN, R .
PHYSICAL REVIEW A, 1986, 34 (05) :4246-4250
[6]   ON KINETIC PHASE-TRANSITIONS IN SURFACE-REACTIONS [J].
DUMONT, M ;
DUFOUR, P ;
SENTE, B ;
DAGONNIER, R .
JOURNAL OF CATALYSIS, 1990, 122 (01) :95-112
[7]  
EHSASI M, 1989, J CHEM PHYS, V91, P4849
[8]   CHARACTERIZING KINETICS NEAR A 1ST-ORDER CATALYTIC POISONING TRANSITION [J].
EVANS, JW ;
MIESCH, MS .
PHYSICAL REVIEW LETTERS, 1991, 66 (06) :833-836
[9]   KINETIC PHASE-TRANSITIONS IN A MODEL FOR SURFACE CATALYSIS [J].
FISCHER, P ;
TITULAER, UM .
SURFACE SCIENCE, 1989, 221 (1-2) :409-426
[10]   CRITICAL PHENOMENA IN A NONEQUILIBRIUM MODEL OF HETEROGENEOUS CATALYSIS [J].
GRINSTEIN, G ;
LAI, ZW ;
BROWNE, DA .
PHYSICAL REVIEW A, 1989, 40 (08) :4820-4823