Premium
A computational study of physical and chemical inhibition in a perfectly stirred reactor
Author(s) -
Brown Nancy J.,
Schefer Robert W.
Publication year - 1981
Publication title -
fire and materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.482
H-Index - 58
eISSN - 1099-1018
pISSN - 0308-0501
DOI - 10.1002/fam.810050104
Subject(s) - diluent , chemistry , combustion , equivalence (formal languages) , kinetic energy , chemical reaction , thermodynamics , computational chemistry , organic chemistry , mathematics , physics , discrete mathematics , quantum mechanics
This paper reports a set of modeling studies that were undertaken to acquire a more detailed knowledge of combustion inhibition mechanisms. Mixtures of H 2 /O 2 /Ar reacting in the idealized perfectly stirred reactor were investigated. Three H 2 /O 2 kinetic mechanisms were considered, differing from one another by the number of HO 2 reactions included. Two physical inhibitors, Ar and N 2 , and one chemical inhibitor, HBr, were investigated. Additional parameters considered were pressure, equivalence ratio, inhibitor concentration and rate coefficient variation. The most effective inhibitor was HBr which acted chemically and caused substantial reduction in radical concentrations in the mixtures considered. The molecules Ar and N 2 acted as physical diluents with N 2 , the more effective of the two due to its larger heat capacity.