2000/03/01 by Alexander A. Konnov, A.A. KONNOV, J. DE RUYCK +1 · 4 citations
Chemical Engineering · Earth and Planetary Sciences · Engineering · #Advanced Combustion Engine Technologies #Atmospheric chemistry and aerosols #Combustion and Detonation Processes
paper · doi:10.1080/00102200008952125
crossref issued 2000/03/01 · crossref published 2000/03/01 · crossref published-print 2000/03/01 · openalex publication_date 2000/03/01 · crossref created 2007/06/25 · crossref deposited 2025/01/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/03 · crossref indexed 2026/08/03
A detailed N/H reaction mechanism has been developed and validated in comparison with experimental data for ammonia pyrolysis in shock waves (Davidson et al., Int. J. Chem. Kinet, 1990, 22:513). It has been shown that incorporation of the reactions with N2H3 and N2H4 into the mechanism significantly influences calculated rise-time and peak concentrations of the NH and NH2 radicals if the currently adopted rate constant of the reaction is employed. A sensitivity analysis reveals which reactions are critical for the quality of the modeling in particular experimental conditions. The choice of the rate constants for these reactions is discussed. It has been found that only significant decrease of the reaction (22) rate constant can improve the agreement between the modeling and experimental data. The best fit in the range 2200 - 2800 K is met with the rate constant k22 = 1.0E+11 T0.5 exp(-21600/RT).