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Accessibility information
Author(s):   Somnitz, H.
Title:   Quantum chemical and dynamical characterization of the reaction OH+SO2 <-> HOSO2 over an extended range of temperature and pressure
Journal:   Phys. Chem. Chem. Phys.
Volume:   6
Page(s):   3844 - 3851
Year:   2004
Reference type:   Journal article
Squib:   2004SOM3844-3851

Reaction:   HOSO2·OH + SO2
Reaction order:   2
Temperature:   150 - 1500 K
Rate expression:   3.16x10-4 [cm3/molecule s] (T/298 K)-4.72 e-112960 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Quantum chemical calculations were used to evaluate reaction PES. RRKM / Master Equation calculations were performed on tha basis of this PES information. The resultant pressure and temperature dependences are reported.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
150 3.72E-42
200 6.54E-33
300 6.58E-24
400 1.40E-19
500 4.34E-17
600 1.70E-15
700 2.09E-14
800 1.26E-13
900 4.76E-13
1000 1.31E-12
1100 2.87E-12
1200 5.33E-12
1300 8.73E-12
1400 1.30E-11
1500 1.79E-11