A CELLULAR AUTOMATON MODEL FOR THE CATALYTIC FORMATION OF NH3

被引：13

作者：

MAI, J ^{[1
]}

VONNIESSEN, W ^{[1
]}

机构：

[1] TECH UNIV BRAUNSCHWEIG,INST PHYS & THEORET CHEM,W-3300 BRAUNSCHWEIG,GERMANY

来源：

CHEMICAL PHYSICS | 1992年 / 165卷 / 01期

关键词：

D O I：

10.1016/0301-0104(92)80044-V

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 cellular automaton model for the NH3 synthesis is introduced. The simulation accounts for the rules of adsorption, reaction via intermediate compounds and desorption of the product. A first-order kinetic phase transition is found if the N2 adsorption is allowed on all sites of the lattice. The order of the phase transition is changed to second order if the N2 adsorption can only occur on activated sites. We study the system behaviour with respect to the composition of the gas phase and the concentration of activated sites of the surface which permit the dissociative adsorption of N2.

引用

页码：65 / 71

页数：7

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