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Journal of Tsinghua University(Science and Technology)    2023, Vol. 63 Issue (4) : 623-632     DOI: 10.16511/j.cnki.qhdxxb.2023.25.022
Research Article |
Comparison of NOx numerical models for methane/air combustion simulations
SUN Jihao, LUO Shaowen, ZHAO Ningbo, YANG Huiling, ZHENG Hongtao
College of Power and Energy Engineering, Harbin Engineering University, Harbin 150001, China
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Abstract  [Objective] Correct usage of models for NOx combustion simulations can considerably reduce the computational time compared to directly coupling the detailed chemical mechanisms. Several NOx models are available: the NOx postprocessing model, decoupled detailed mechanism model, and adding NOx transport equations in flamelet generated manifold (FGM) model. However, their differences and applicability remain unclear, so choosing a model for a particular work is challenging. Therefore, the differences and applicability of these models must be verified under different situations, particularly for diffusion combustion, premixed combustion, and real combustors (partly premixed combustion). [Methods] In this study, numerical simulations were performed on a diffusion jet flame (Sandia flame D), premixed swirl flame (Cambridge swirl flame SW3), and partly premixed flame (an industrial gas turbine combustor) to thoroughly understand the differences and applicability of these three models. The turbulence and combustion models were the realizable standard k-ε model and the flamelet-generated manifold model, respectively. The turbulence and combustion models were verified against the experimental results; furthermore, the NOx (including NO, NO2, and N2O) distribution and formation characteristics, as well as NOx emissions, were compared and discussed with the experimental results. For the NOx postprocessing model, O and OH radicals were treated as partial equilibrium consumption, and the turbulence-combustion interaction was modeled as β-PDF (β-probability density function, PDF) consumption. For the decoupled detailed mechanism model, the species (excluding NOx), pressure, velocity, and temperature distributions were obtained using numerical simulation and held constant, and then NOx chemistry was solved. For the added NOx transport equation model, the three NOx transport equations of NO, NO2, and N2O were added to the PDF table to calculate NOx (including NO, NO2, and N2O). During the computation of NOx transport equations, only NO, NO2, and N2O were solved, and the remaining species, such as O, OH, and CH, were directly read from the PDF table. [Results] (1) For diffusion combustion, premixed combustion, and the gas turbine combustor, NO accouned for more than 95.00% of the total NOx behind the flame (at the burned-out zone), the amount of N2O was relatively small, and the amount of NO2 was negligible. (2) The NOx postprocessing model could accurately simulate the NOx formation position near the flame (at the reacting zone) and the NOx generation rate behind the flame; however, this method underestimated the NOx concentration and NOx generation rate at the flame position. Moreover, the NOx postprocessing model couldn't reproduce the phenomenon of the initial increase in the N2O concentration near the flame and then its decrease. (3) The added NOx transport equation model showd the best accuracy for the NOx generation position, NOx concentration, and NOx formation rate near the flame, but it underestimated the NOx generation rate behind the flame. (4) The decoupled detailed mechanism model showd the worst accuracy in NOx simulation and couldn't correctly predict the NOx formation characteristics of the three studied cases. [Conclusions] The decoupled detailed mechanism model may not be suitable for NOx simulation under some conditions. To capture NOx formation and distribution characteristics, the postprocessing model and added NOx transport equation model can be used. However, the postprocessing model may not provide quantitative results, particularly in diffusion flames. The added NOx transport equation model may be suitable under most conditions.
Keywords NOx model      numerical simulation      diffusion jet flame      premixed swirl flame      combustor     
Issue Date: 22 April 2023
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SUN Jihao
LUO Shaowen
ZHAO Ningbo
YANG Huiling
ZHENG Hongtao
Cite this article:   
SUN Jihao,LUO Shaowen,ZHAO Ningbo, et al. Comparison of NOx numerical models for methane/air combustion simulations[J]. Journal of Tsinghua University(Science and Technology), 2023, 63(4): 623-632.
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http://jst.tsinghuajournals.com/EN/10.16511/j.cnki.qhdxxb.2023.25.022     OR     http://jst.tsinghuajournals.com/EN/Y2023/V63/I4/623
  
  
  
  
  
  
  
  
  
  
  
  
  
  
  
  
  
  
  
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