Kinetics Database Logo     Home
©NIST, 2022
Accessibility information
Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Contact Us to Submit an Article

Citation

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

DOC home page

NIST home page

MML home page

Chemical Sciences Division

Applied Chemicals and Materials Division

Author(s):   Zhu, R. S.; Lin, M. C.
Title:   Ab initio chemical kinetics for ClO reactions with HOx, ClOx and NOx (x=1, 2): A review
Journal:   Comput. Theor. Chem.
Volume:   965
Page(s):   328 - 339
Year:   2011
Reference type:   Journal article
Squib:   2011ZHU/LIN328-339

Reaction:   ClNO2NO2 + ·Cl
Reaction order:   1
Temperature:   400 - 1500 K
Rate expression:   1.53x1015 [s-1] (T/298 K)-1.89 e-140307 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Potential energy surfaces for a series of reactions were studied using quantum chemistry. Rate constants were calculated using transition state theory and, for pressure-dependent rate constants, master equation methods.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
400 4.17E-4
500 1.26E0
600 2.48E2
700 1.03E4
800 1.63E5
900 1.36E6
1000 7.27E6
1100 2.82E7
1200 8.58E7
1300 2.18E8
1400 4.78E8
1500 9.37E8