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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:   HOSO + O2HO2 + SO2
Reaction order:   2
Temperature:   200 - 2000 K
Pressure:  1.01 bar
Rate expression:   1.0x10-9 [cm3/molecule s] e-7624 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Comments:   Reaction potential energy surface was studied using quantum chemistry. Rate constant for the reverse (SO2 + HO2 -> O2 + HOSO) reaction were calculated using transition state theory and master equation analysis. Rate constants for the O2 + HOSO -> SO2 + HO2 were then calculated using detailed balance.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 1.02E-11
300 4.70E-11
400 1.01E-10
500 1.60E-10
600 2.17E-10
700 2.70E-10
800 3.18E-10
900 3.61E-10
1000 4.00E-10
1100 4.34E-10
1200 4.66E-10
1300 4.94E-10
1400 5.19E-10
1500 5.43E-10
1600 5.64E-10
1700 5.83E-10
1800 6.01E-10
1900 6.17E-10
2000 6.32E-10