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Computational Study of NOx Formation at Conditions Relevant to Gas Turbine Operation, Part 2: NOx in High Hydrogen Content Fuel Combustion at Elevated Pressure

Published on Sep 15, 2016in Energy & Fuels3.021
· DOI :10.1021/acs.energyfuels.6b00421
Sheikh F. Ahmed3
Estimated H-index: 3
,
Jeffrey Santner13
Estimated H-index: 13
+ 2 AuthorsTanvir Farouk18
Estimated H-index: 18
Abstract
Part 1 (10.1021/acs.energyfuels.6b00420) of this two part series presented a computational study of NOx formation during methane and ethylene combustion, representative of small fuel fragments present in natural gas and chemical processing. The influence of fuel chemistry, reaction temperature history, and inert dilution was examined using popular models present in the literature. The present work extends the study to hydrogen-rich conditions to remove the fuel variability dependency of NOx and identify possible inconsistencies in predicting NOx during high hydrogen content fuel combustion. A comprehensive chemical kinetic model is proposed consisting of CO/H2/NOx oxidation with the full implementation of thermal, N2O, and NNH paths of NOx evolution. Predictions from the model are compared against multiple experimental data sets over a wide range of venues and operating conditions. The experimental venues include shock tube, plug flow reactor, and stirred reactor experiments that cover pressures from 1 to...
  • References (32)
  • Citations (13)
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References32
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#1María Abián (University of Zaragoza)H-Index: 11
#2María U. Alzueta (University of Zaragoza)H-Index: 31
Last. Peter Glarborg (DTU: Technical University of Denmark)H-Index: 51
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We have conducted flow reactor experiments for NO formation from N2/O2 mixtures at high temperatures and atmospheric pressure, controlling accurately temperature and reaction time. Under these conditions, atomic oxygen equilibrates rapidly with O2. The experimental results were interpreted by a detailed chemical model to determine the rate constant for the reaction N2 + O ⇌ NO + N (R1). We obtain k1 = 1.4 × 1014 exp(−38,300/T) cm3 mol−1 s−1 at 1700–1800 K, with an error limit of ±30%. This value...
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#1Javier Urzay (Center for Turbulence Research)H-Index: 12
#2Nicolas Kseib (Stanford University)H-Index: 2
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Abstract This study addresses the influences of residual radical impurities on the computation and experimental determination of ignition times in H 2 /O 2 mixtures. Particular emphasis is made on the often-times encountered problem of the presence of H-atoms in the initial composition of H 2 /O 2 mixtures in shock tubes. Two methods are proposed for quantifying experimentally H-residual impurities in shock tubes, namely, an a priori method that consists of detecting OH traces upon shocking unfu...
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A detailed chemical kinetic mechanism has been developed to describe the oxidation of small hydrocarbon and oxygenated hydrocarbon species. The reactivity of these small fuels and intermediates is of critical importance in understanding and accurately describing the combustion characteristics, such as ignition delay time, flame speed, and emissions of practical fuels. The chosen rate expressions have been assembled through critical evaluation of the literature, with minimum optimization performe...
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Abstract The oxidation of syngas mixtures was investigated experimentally and simulated with an updated chemical kinetic model. Ignition delay times for H2/CO/O2/N2/Ar mixtures have been measured using two rapid compression machines 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 pressure at the end of the compression; ignition delays decrease wit...
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In this study, the essential factors governing the Z-shaped explosion limits of hydrogen-oxygen mixtures are studied using eigenvalue analysis. In particular, it is demonstrated that the wall destruction of H and HO2 is essential for the occurrence of the first and third limits, while that of O, OH, and H2O2 play secondary, quantitative roles for such limits. By performing quasi-steady-state analysis, an approximate, cubic equation for the explosion limits is obtained, from which explicit expres...
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Laminar flame speeds and ignition delay times have been measured for hydrogen and various compositions of H2/CO (syngas) at elevated pressures and elevated temperatures. Two constant-volume cylindrical vessels were used to visualize the spherical growth of the flame through the use of a schlieren optical setup to measure the laminar flame speed of the mixture. Hydrogen experiments were performed at initial pressures up to 10 atm and initial temperatures up to 443 K. A syngas composition of 50/50...
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