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Author(s):   Peukert, S. L.; Sivaramakrishnan, R.; Michael, J. V.
Title:   High temperature rate constants for H/D plus n-C4H10 and i-C4H10
Journal:   Proc. Combust. Inst.
Volume:   35
Page(s):   171 - 179
Year:   2015
Reference type:   Journal article
Squib:   2015PEU/SIV171-179

Reaction:   iso-C4H10 + Diso-C4H9 + HD
Reaction order:   2
Temperature:   500 - 2000 K
Rate expression:   1.05x10-10 [cm3/molecule s] (T/298 K)2.10 e-29932 [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. The quoted expression is given in the supporting information for the article.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
500 2.32E-13
600 1.13E-12
700 3.69E-12
800 9.28E-12
900 1.96E-11
1000 3.65E-11
1100 6.19E-11
1200 9.76E-11
1300 1.45E-10
1400 2.07E-10
1500 2.84E-10
1600 3.78E-10
1700 4.90E-10
1800 6.22E-10
1900 7.74E-10
2000 9.48E-10