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Accessibility information
Author(s):   Wang, B.S.; Hou, H.
Title:   Theoretical investigations on the SO2+HO2 reaction and the SO2-HO2 radical complex
Journal:   Chem. Phys. Lett.
Volume:   410
Page(s):   235 - 241
Year:   2005
Reference type:   Journal article
Squib:   2005WAN/HOU235-241

Reaction:   HO2 + SO2 → HOSO + O2
Reaction order:   2
Temperature:   400 - 2000 K
Pressure:  1.01 bar
Rate expression:   8.6x10-10 [cm3/molecule s] e-43493 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. Rate constant were calculated using transition state theory and master equation analysis. The Arrhenius formula covers the 400 - 2000 K temperature range. Rate constants at 200 K < T < 400 K are presented in tabular format.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
400 1.80E-15
500 2.46E-14
600 1.41E-13
700 4.89E-13
800 1.24E-12
900 2.57E-12
1000 4.60E-12
1100 7.40E-12
1200 1.10E-11
1300 1.54E-11
1400 2.05E-11
1500 2.63E-11
1600 3.27E-11
1700 3.96E-11
1800 4.70E-11
1900 5.48E-11
2000 6.29E-11