ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Solving Reaction Models for the Systems with Particulate Solids

O. Trnka, M. Hartman, Z. Beran, and K. Svoboda

Institute of Chemical Process Fundamentals, Academy of Sciences, CZ-165 02 Prague

Abstract: A relatively simple method has been developed for the integration of highly stiff sets of differential equations. The method is based on the semi-implicit Euler scheme which makes it possible to solve the resulting algebraic equations separately with the aid of always converging procedures such as the interval halving or ''regula falsi''. An alternative algorithm has been presented for the size control of variable time step in the course of the computation. The developed semi-implicit Euler method has been extensively tested and compared to some implicit and semi-implicit techniques. Problems have been discussed with the convergence of the iterative solutions of the nonlinear, algebraic systems resulting from the implicit schemes. Behaviour of various methods is also examined when they are applied to a practical problem in reaction engineering. Computed break-through curves have been confronted with the experimental measurements.

Full paper in Portable Document Format: 504a167.pdf

Chemical Papers 50 (4) 167–176 (1996)