Premium
Thermal reaction of HNCO with NO 2 at moderate temperatures
Author(s) -
He Y.,
Liu Xiaoping,
Lin M. C.,
Melius C. F.
Publication year - 1993
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.550251006
Subject(s) - chemistry , reaction rate constant , atmospheric temperature range , kinetic energy , thermal , rate equation , thermodynamics , reaction rate , range (aeronautics) , kinetics , analytical chemistry (journal) , organic chemistry , catalysis , physics , quantum mechanics , materials science , composite material
The thermal reaction of HNCO with NO 2 has been studied in the temperature range of 623 to 773 K by FTIR spectrometry. Major products measured are CO 2 and NO with a small amount of N 2 O. Kinetic modeling of the time resolved concentration profiles of the reactants and products, aided by the thermochemical data of various likely reactive intermediates computed by means of the BAC‐MP4 method, allows us to conclude that the reaction is initiated exclusively by a new bimolecular process:with a rate constant, k 1 = 2.5 × 10 12 e −13,100 / T cm 3 /mols. The well‐known bimolecular reactionis the only strong competitive process in this important reactive system throughout the temperature range studied. Kinetic modeling of NO formation and NO 2 decay rates gave rise to values of k 10 which were in close agreement with literature data. © 1993 John Wiley & Sons, Inc.