An integration scheme for stiff solid–gas reactor models

• Published in: Computer methods in applied mechanics and engineering Vol. 190; no. 45; pp. 6009 - 6021
• Main Authors: Foss, Bjarne A., Wasbø, Stein O.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 31.08.2001; Elsevier
• Subjects: Chemistry; Computational techniques; Exact sciences and technology; General and physical chemistry; Industrial application; Mathematical methods in physics; Numerical integration; Physics; Stiff systems; Theory of reactions, general kinetics; Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry; Industrial application; Stiff systems; Numerical integration; Electrochemical properties; Multiphase flow; Algebraic equation; Theoretical study; Catalytic reactor; Gas solid; Solid geometry; Dynamic model; Three phase flow; Geometrical model
• ISSN: 0045-7825; 1879-2138
• DOI: 10.1016/S0045-7825(01)00211-0

Many dynamic models encounter numerical integration problems because of a large span in the dynamic modes. In this paper we develop a numerical integration scheme for systems that include a gas phase, and solid and liquid phases, such as a gas–solid reactor. The method is based on neglecting fast dynamic modes and exploiting the structure of the algebraic equations. The integration method is suitable for a large class of industrially relevant systems. The methodology has proven remarkably efficient. It has in practice performed excellently and been a key factor for the success of the industrial simulator for electrochemical furnaces for ferro-alloy production.