05-19U

A survey of publications on principles and applications of the microkinetic simulation approach for the description of ammonia heterogeneous synthesis on iron-based catalysts is given. The main information on heterogeneous chemical reactors and catalysts is presented. The microkinetic mechanism of reactions on surface and its description in the approach are considered. It is given main grounds forming a basis for experimental techniques in studying bulk and surface catalyst properties, features of adsorbate, and kinetic and thermodynamic characteristics of heterogeneous reactive systems. Calculation tools for physico-chemical properties are presented based on the statistical mechanical description and their applications to ammonia synthesis are cosidered. Computer simulation approach to the problem is shortly reviewed.