Computational Simulation of Bray-Liebhafsky (BL) Oscillating Chemical Reaction

Jie Ren, Jin Zhang Gao*, Wu Yang

Chemistry & Chemical Engineering College, Northwest Normal University, Lanzhon, 730070, PR China

 

Received 19^th January 2008; accepted 3^rd April 2008

 

 

Abstract

The computational simulation of the Bray-Liebhafsky (BL) oscillating chemical reaction by differential kinetic methodology is carried out in this work. According to the mechanism of Treindl and Noyes involving 10 reaction steps, the changes of the concentrations of I₂ and O₂ in solution are simulated. When the control parameters are α = 0.55, β = 0.2882 and δ < 0.6, the differential equations present periodic solution, and the oscillations can be observed in 150 min. If α, β and δ are taken as the control parameters, respectively, the bifurcation points would be observed in the processes of control parameters, changing successively with the critical values of  α = 0.55, β = 0.2882, and δ = 0.6. The acidity of solution on the nonlinear phenomena is also investigated in detail.

 

Keywords: computational simulation, Bray-Liebhafsky (BL) oscillating chemical reaction, differential kinetic methodology, bifurcation.

 

 

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References

1. V. Vukojević, S. Anić, Lj. Kolar-Anić, Phys. Chem. Chem. Phys. 4 (2002) 1276-1283.        [ Links ]

2. J. Ren, J.Z. Gao, W. Yang, Comput. Visual. Sci. (2008) DOI 10.1007/s00791-008 -0092-2 (online first).

3. S. Anić, Lj. Kolar-Anić, E. Korös, React. Kinet. Catal. Lett. 61 (1997) 111-116.

4. Lj. Kolar-Anić, Ž. Čupič, S. Anić, G. Schmitz, J. Chem. Soc. Faraday Trans. 93 (1997) 2147-2152.

5. W.C. Bray, J. Am. Chem. Soc. 43 (1921) 1262-1267.

6. D.R. Stanisavljev, A.R. Djordjević, V.D. Likar-Smiljanić, Chem. Phys. Lett. 423 (2006) 59-62.

7. S. Keki, G. Szekely, M.T. Beck, J. Phys. Chem. A 107 (2003) 73-75.

8. R.M. Noyes, L.V. Kalachev, R.J. Field, J. Phys. Chem. 99 (1995) 3514-3520.

9. P. Ševčík, K. Kissimonová, L. Adamčíková, J. Phys. Chem. A 104 (2000) 3958-3963.

10. F.G. Buchholtz, S. Broecker, J. Phys. Chem. A 102 (1998) 1556-1559.

11. I. Valent, L. Adamčíková, P. Ševčík, J. Phys. Chem. A 102 (1998) 7576-7579.

12. I. Matsuzaki, T. Nakajima, H.A. Liebhafsky, Faraday Symp. Chem. Soc. 9 (1974) 55-65.

13. P.G. Bowers, Ch. Hofstetter, C.R. Letter, R.T. Toomey, J. Phys. Chem. 99 (1995) 9632-9637.

14. E. David, R.M. Noyes, J. Phys. Chem. 83 (1979) 212 -220.

15. K. Kissimonová, I. Valent, L. Adamčíková, P. Ševčík, Chem. Phys. Lett. 341 (2001) 345-350.

16. L. Treindl, R.M. Noyes, J. Phys. Chem. 97 (1993) 11354-11362.

17. G. Schmitz, H. Rooze, Far from Equilibrum Synergetics, Springer-Verlly, Berlin, 1979, p51-56.

18. V. Sharma, R.M. Noyes, J. Am. Chem. Soc. 98 (1976) 4345-4361.

19. G. Schmitz, Lj. Kolar-Anić, S. Anić, J. Phys. Chem. A 110 (2006) 10361-10368.

20. J. Zimmerman, R.M. Noyes, J. Phys. Chem. 18 (1950) 658-666.

 

* Corresponding author. E-mail address: jzgao@nwnu.edu.cn