Kinetics and mechanisms of the reactions of mercaptomethyl radicals with dioxygen, nitric oxide, and nitrogen dioxide

…, M Broomfield, OJ Nielsen, P Pagsberg

Index: Anastasi, Christopher; Broomfield, Mark; Nielsen, Ole John; Pagsberg, Palle Journal of Physical Chemistry, 1992 , vol. 96, # 2 p. 696 - 701

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Citation Number: 14

Abstract

Conclusions All the mechanisms give a slower conversion of CO to C02 compared to the experimental results. The computations, espe-cially the ML mechanism but also the WZ and MB mechanisms, yield significantly higher values, up to a factor 2, for H atoms and 0 atoms than do the experimental results. Computations with the WZ and MB mechanisms produced species profiles almost identical to within 5% of each other with the modified WD ...