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On the Formation of Nitrogen Oxides During the Combustion of ...

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A.1 Global Kinetics<br />

2500<br />

K<br />

Spatial coordinate x<br />

2000<br />

Temperature T<br />

1500<br />

1000<br />

Single-step mechanism<br />

500<br />

Two-step mechanism<br />

Quasi-global mechanism<br />

Detailed mechanism<br />

0<br />

0.000 0.004 0.008 0.012 0.016 0.020 m<br />

Figure A.1: Temperature Pr<strong>of</strong>ile <strong>of</strong> a Laminar Premixed Flame for Reaction Mechanisms<br />

with Different Degrees <strong>of</strong> Abstraction. n-Decane is burned at stoichiometric conditions<br />

(φ= 1.0). The inlet temperature is T = 500K at a pressure <strong>of</strong> 1.0bar.<br />

With respect to liquid-fueled gas turbines, Lefebvre [243] points out that<br />

chemical reaction rates vary only slightly between <strong>the</strong> various hydrocarbon<br />

fractions <strong>of</strong> <strong>the</strong> fuel. This is due to only marginal differences in adiabatic flame<br />

temperature <strong>of</strong> <strong>the</strong> particular fuels, on <strong>the</strong> one hand, and extensive pyrolysis<br />

<strong>of</strong> all fuel fractions before entering <strong>the</strong> true reaction zone, on <strong>the</strong> o<strong>the</strong>r hand.<br />

The major pyrolysis products are CH 4 , o<strong>the</strong>r 1-2 carbon atom hydrocarbons,<br />

and H 2 . Consequently, <strong>the</strong> reactant composition in <strong>the</strong> reaction zone is virtually<br />

independent <strong>of</strong> <strong>the</strong> parent fuel. Duterque et al. [106] also provided quasiglobal<br />

schemes for methane, propane, benzene, and iso-octane with an initial<br />

transformation <strong>of</strong> <strong>the</strong> hydrocarbon into CO and H 2 by one or two 1 global<br />

stages, similar to Equation (A.4). In <strong>the</strong> mechanism developed by Hautman<br />

et al. [172], intermediates are generally represented by e<strong>the</strong>ne (C 2 H 4 ), regardless<br />

<strong>of</strong> <strong>the</strong> actual main reactants. Unlike <strong>the</strong> quasi-global reaction schemes<br />

discussed so far, <strong>the</strong> one by Jones and Lindstedt [199] involves two competing<br />

fuel breakdown reactions. Oxygen as well as water are considered to be<br />

involved in <strong>the</strong> global fuel oxidation step. However, this set <strong>of</strong> reactions was<br />

1 Duterque et al. [106] consider individual intermediate species for different hydrocarbons.<br />

201

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