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Kinetic modeling of the reduction of nitric oxide in combustion products by isocyanic acid
Author(s) -
Miller James A.,
Bowman Craig T.
Publication year - 1991
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550230403
Subject(s) - isocyanic acid , chemistry , radical , nitric acid , reaction mechanism , nitric oxide , combustion , decomposition , kinetics , chemical kinetics , photochemistry , inorganic chemistry , organic chemistry , catalysis , physics , quantum mechanics
The RAPRENO x process for NO reduction in combustion products involves reaction of nitric oxide with isocyanic acid. We have developed a mechanism for the gas‐phase reaction of isocyanic acid with nitric oxide in the presence of various amounts of O 2 , H 2 O, and CO. Kinetics calculations using the mechanism are compared with the experimental data of Siebers and Caton, and the model reproduces all trends of these data. Sensitivity and rate‐of‐production analyses show that the reactions of HNCO with OH, O, and H play a major role in the NO‐removal process and that NO removal occurs primarily by reaction of NO with NCO to form N 2 O, which subsequently reacts slowly to form N 2 . The overall reaction is critically dependent on production of radicals. When O 2 , H 2 O, and CO are present, the radicals are supplied by the moist‐CO chain branching sequence. When any of these species is absent, radicals must be supplied by other reactions, principally the N 2 O decomposition reaction and the reaction of the NH 2 radical with NO.