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Yilmaz A, Hindiyarti L, Jensen AD, et al. Thermal dissociation of SO3 at 1000-1400 K. J Phys Chem A. 2006;110(21):6654-9doi: 10.1021/jp0557215.
Yilmaz, A., Hindiyarti, L., Jensen, A. D., Glarborg, P., & Marshall, P. (2006). Thermal dissociation of SO3 at 1000-1400 K. The journal of physical chemistry. A, 110(21), 6654-9. https://doi.org/10.1021/jp0557215
Yilmaz, Ayten, et al. "Thermal dissociation of SO3 at 1000-1400 K." The journal of physical chemistry. A vol. 110,21 (2006): 6654-9. doi: https://doi.org/10.1021/jp0557215
Yilmaz A, Hindiyarti L, Jensen AD, Glarborg P, Marshall P. Thermal dissociation of SO3 at 1000-1400 K. J Phys Chem A. 2006 Jun 01;110(21):6654-9. doi: 10.1021/jp0557215. PMID: 16722679.
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J Phys Chem A. 2006 Jun 01;110(21):6654-9. doi: 10.1021/jp0557215.

Thermal dissociation of SO3 at 1000-1400 K.

The journal of physical chemistry. A

Ayten Yilmaz, Lusi Hindiyarti, Anker D Jensen, Peter Glarborg, Paul Marshall

Affiliations

  1. Department of Chemical Engineering, Technical University of Denmark, DK-2800 Lyngby, Denmark.

PMID: 16722679 DOI: 10.1021/jp0557215

Abstract

The thermal dissociation of SO3 has been studied for the first time in the 1000-1400 K range. The experiments were conducted in a laminar flow reactor at atmospheric pressure, with nitrogen as the bath gas. On the basis of the flow reactor data, a rate constant for SO3 + N2 --> SO2 + O + N2 (R1b) of 5.7 x 10(17) exp(-40000/T) cm3/(mol s) is derived for the temperature range 1273-1348 K. The estimated uncertainty is a factor of 2. The rate constant corresponds to a value of the reverse reaction of k1 approximately 1.8 x 10(15) cm6 mol(-2) s(-1). The reaction is in the fall-off region under the investigated conditions. The temperature and pressure dependence of SO2 + O (+N2) was estimated from the extrapolation of low temperature results for the reaction, together with an estimated broadening parameter and the high-pressure limit determined recently by Naidoo, Goumri, and Marshall (Proc. Combust. Inst. 2005, 30, 1219-1225). The theoretical rate constant is in good agreement with the experimental results. The improved accuracy in k(1) allows a reassessment of the rate constant for SO3 + O --> SO2 + O2 (R2) based on the data of Smith, Tseregounis, and Wang (Int. J. Chem. Kinet. 1982, 14, 679-697), who conducted experiments on a low-pressure CO/O2/Ar flame doped with SO2. At the location in the flame where the net SO3 formation rate is zero, k2 = k1[SO2][M]/[SO3]. A value of 6.9 x 10(10) cm3 mol(-1) s(-1) is obtained for k2 at 1269 K with an uncertainty a factor of 3. A recommended rate constant k2 = 7.8 x 10(11) exp(-3065/T) cm3 mol(-1) s(-1) is consistent with other flame results as well as the present flow reactor data.

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