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Accessibility information
Author(s):   Wilcox, J.
Title:   A Kinetic Investigation of High-Temperature Mercury Oxidation by Chlorine
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   6633 - 6639
Year:   2009
Reference type:   Journal article
Squib:   2009WIL6633-6639

Reaction:   Mercury chloride + ·ClHg + Cl2
Reaction order:   2
Temperature:   298 - 2000 K
Rate expression:   1.2x10-11 [cm3/molecule s] e-49371 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
298 2.66E-20
300 3.04E-20
400 4.29E-18
500 8.35E-17
600 6.04E-16
700 2.49E-15
800 7.18E-15
900 1.64E-14
1000 3.17E-14
1100 5.43E-14
1200 8.52E-14
1300 1.25E-13
1400 1.73E-13
1500 2.29E-13
1600 2.94E-13
1700 3.65E-13
1800 4.43E-13
1900 5.27E-13
2000 6.17E-13