Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

Help


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty

More...


Administrative Links

NIST home page

MML home page

Chemical and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Sendt, K.; Haynes, B.S.;
Title:   Role of the direct reaction H2S + SO2 in the homogeneous Claus reaction
Journal:   J. Phys. Chem. A
Volume:   109
Page(s):   8180 - 8186
Year:   2005
Reference type:   Journal article
Squib:   2005SEN/HAY8180-8186

Reaction:   SO2 + H2SH2O + S2O
Reaction order:   2
Temperature:   300 - 2000 K
Pressure:  1.01 bar
Rate expression:   1.09x10-13 [cm3/molecule s] (T/298 K)1.86 e-158000 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   None reported
Comments:   G2 and G3 ab initio study of energetics of H2S + SO2 and H2S + S2O reactions. Rate expressions derived using ab initio energetics and QQRK analysis. Study found that water catalyzed a number of the reaction steps.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 3.41E-41
400 4.39E-34
500 8.90E-30
600 7.03E-27
700 8.64E-25
800 3.30E-23
900 5.74E-22
1000 5.77E-21
1100 3.87E-20
1200 1.92E-19
1300 7.54E-19
1400 2.46E-18
1500 6.90E-18
1600 1.72E-17
1700 3.87E-17
1800 8.00E-17
1900 1.54E-16
2000 2.80E-16