An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures

Abstract

The oxidation of syngas mixtures was investigated experimentally and simulated with an updated chemical kinetic model. Ignition delay times for H 2 /CO/O 2 /N 2 /Ar mixtures have been measured using two rapid compression machines (RCM) and shock tubes at pressures from 1 to 70 bar, over a temperature range of 914-2220 K and at equivalence ratios from 0.1 to 4.0. Results show a strong dependence of ignition times on temperature and

Experimental and modeling study of the effect of elevated pressure on lean high-hydrogen syngas flames

“…The experimental and modeling studies by Troe [19], Michael et al [20], Fernandes et al [21] and Bates et al [22] have reported rate constants of reaction R1 over a range of 300-2000 K. Their recommendations are used in the most recent kinetic models [6,8,10] used in the present work. In the work of Burke et al [4], the authors discuss the range of efficiencies and their uncertainties suggested in the literature.…”

“…However, the mechanism [10] still shows discrepencies in predicting the experiments reported in the present work. The other important reaction R3 (H + O 2 = OH + O) was recently studied by Hong et al [23] and recommended a rate constant derived from absorption measurements over a range of 1100-3370 K. This recommendation is used in all the recent kinetic schemes [6,8,10]. This modification improved the capability of these mechanisms which is reported in their respective work.…”

“…Thermodynamic data used are from the database of Burcat and Ruscic [16]. Recent mechanisms of Li et al [9], Burke et al [10], Kéromnès et al [6], Goswami et al [8] and GRI Mech 3.0 [11] are used in the present simulations for comparison. Mechanism of Burke et al [10] was published only for H 2 /O 2 system.…”

“…A few recent high pressure experimental studies [2][3][4][5][6][7][8] for S L have been reported in the literature for syngas (H 2 /CO/N 2 ) mixtures. Most of these studies have not addressed high hydrogen content syngas with a lean mixture at elevated pressure.…”

“…Hence, the objectives of this study are to (1) experimentally determine S L of 85% H 2 content in both H 2 -CO and H 2 -N 2 mixtures at lean conditions (/ = 0.5-0.6) up to a pressure of 10 atm using the heat flux method in a new specially designed high pressure facility, (2) comparing recent kinetic models from Li et al [9], Kéromnès et al [6], Goswami et al [8], Burke et al [10] and GRI Mech 3.0 [11], and (3) analyzing the key reactions and pathways in the kinetics of such lean mixtures at elevated pressure.…”