Mesoscopic modeling in the kinetic theory of adsorbates

被引:111
作者
Hildebrand, M [1 ]
Mikhailov, AS [1 ]
机构
[1] MAX PLANCK GESELL,FRITZ HABER INST,CHEM PHYS ABT,D-14195 BERLIN,GERMANY
关键词
D O I
10.1021/jp961668w
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
A mesoscopic description of surface chemical reactions, aimed to provide a Link between microscopic lattice models and reaction-diffusion equations, is formulated. Such a description is needed when large populations of nanoscale structures are considered or patterns characterized by a combination of macroscopic and microscopic lengths are investigated. By using the example of an adsorbate with attractive lateral interactions between molecules, the mesoscopic evolution equation for fluctuating coverages is derived from the microscopic master equation of the respective kinetic lattice model. This stochastic equation is applied to study phenomena of pattern formation related to adsorbate phase transitions.
引用
收藏
页码:19089 / 19101
页数:13
相关论文
共 34 条
[1]   THEORY OF PHASE-ORDERING KINETICS [J].
BRAY, AJ .
ADVANCES IN PHYSICS, 1994, 43 (03) :357-459
[2]   WETTING - STATICS AND DYNAMICS [J].
DEGENNES, PG .
REVIEWS OF MODERN PHYSICS, 1985, 57 (03) :827-863
[3]   INDIRECT INTERACTION BETWEEN ADATOMS ON A TIGHT-BINDING SOLID [J].
EINSTEIN, TL ;
SCHRIEFFER, JR .
PHYSICAL REVIEW B, 1973, 7 (08) :3629-3648
[4]  
EISWIRTH M, 1995, CHEM WAVES PATTERNS, P447
[5]   KINETIC PHASE-DIAGRAMS FOR THE MONOMER DIMER SURFACE-REACTION - UNIFICATION OF MEAN-FIELD AND LATTICE GAS BEHAVIOR [J].
EVANS, JW .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (01) :572-577
[6]   NOISE-INDUCED BISTABILITY IN A MONTE-CARLO SURFACE-REACTION MODEL [J].
FICHTHORN, K ;
GULARI, E ;
ZIFF, R .
PHYSICAL REVIEW LETTERS, 1989, 63 (14) :1527-1530
[7]  
Gardiner G. W., 1985, HDB STOCHASTIC METHO
[8]   Exact macroscopic description of phase segregation in model alloys with long range interactions [J].
Giacomin, G ;
Lebowitz, JL .
PHYSICAL REVIEW LETTERS, 1996, 76 (07) :1094-1097
[9]   COUPLING BETWEEN ADJACENT CRYSTAL PLANES IN HETEROGENEOUS CATALYSIS BY PROPAGATING REACTION-DIFFUSION WAVES [J].
GORODETSKII, V ;
LAUTERBACH, J ;
ROTERMUND, HH ;
BLOCK, JH ;
ERTL, G .
NATURE, 1994, 370 (6487) :276-279
[10]   A NARROW WINDOW FOR OBSERVATION OF SPIRAL LIPID CRYSTALS [J].
HECKL, WM ;
MOHWALD, H .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1986, 90 (12) :1159-1163