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

Numerical simulation of oscillation reaction of the Belousov-Zhabotinskii type in the presence of oxalic acid

P. Ševčík and J. Hlaváčová

Department of Physical Chemistry, Faculty of Natural Sciences, Comenius University, CS-842 15 Bratislava

Abstract: The behaviour of oscillating system of the Belousov—Zhabotinskii type in the presence of oxalic acid has been simulated on the basis of the BHC Oregonator, the GNF model, the Sasaki mechanism and their modifica­ tions. The numerical simulations show that the present models involving substrates incapable of bromination allow to interpret the oscillations in a system containing oxalic acid only if the arising bromine is removed from the reaction solution by a continuous stream of inert gas, "the rate constant" being of 10^-3 — 10^-2 s^-1 decimal order. We have not succeeded in elucidating the behaviour if bromine is removed by bromination of acetone in real concentrations or is not removed at all.

Full paper in Portable Document Format: 444a451.pdf

Chemical Papers 44 (4) 451–466 (1990)