HPLC analysis of complete BZ systems.
Evolution of the chemical composition in cerium and ferroin catalysed
batch oscillators: experiments and model calculations

László Hegedűs, Mária Wittmann, Zoltán Noszticzius
Center for Complex and Nonlinear Systems and the Department of Chemical Physics,
Budapest University of Technology and Economics,
H-1521 Budapest, Hungary

Shuhua Yan, Atchara Sirimungkala, Horst-Dieter Försterling
Fachbereich Chemie, Philipps-Universität Marburg,
D-35032 Marburg/Lahn, Germany

Richard J. Field
Department of Chemistry, The University of Montana,
Missoula, Montana 59812

(This supplementary material is Ref. 42 of the paper)

Experimental curves of the Ce⁴⁺ - catalysed classical BZ system in batch

Initial conditions:
[MA]₀ = 0.1 M, [NaBrO₃]₀ = 0.1 M, [Ce⁴⁺]₀ = 5x10^-3 M, [H₂SO₄] = 1 M.

Bromide selective electrode oscillations (Fig. 1 b)
Main components: acidic bromate, malonic and bromomalonic acids (Fig. 4 a)
Radical recombination products: BrEETRA, ETA and MAMA (Fig. 4 b)
Oxidized intermediates: oxalic and tartronic acids (Fig. 4 c)
Brominated products: Br₂AcA and Br₃AcA (Fig. 4 d)

Simulations were carried out using the MBM model for the Ce-catalysed BZ system.

Possible additional oxygen atom transfer reactions:

NR5:       MABrO₂   ŕ   OA + CO₂ + Br^- + H⁺

NR6:       HBrO₂ + MOA   ŕ   HOBr + OA + CO₂

Comparison of the experimental curves and the simulations using

1. the MBM model,
2. the MBM model + NR5,
3. the MBM model + NR6.

Br^-
Ce⁴⁺
BrO₃^-
MA
BrMA
BrEETRA
ETA + MAMA
OA
TA