A comparison of turbulence and combustion models have been performed for predicting CO2 and NOx formation from a methane diffusion flame firing vertically upwards. The flow field has been modeled using the Reynolds-Averaged Navier–Stokes equation incorporating the k-ε realizable turbulence closure model, the k-ω shear-stress transport (SST) turbulence model and the transitional SST turbulence model and the three models have been compared. Combustion was modeled using the unsteady Stationary Laminar Flamelet Model (SLFM), the Eulerian Particle Flamelet Model (EPFM), and the Pollutant Model (PM) and the three models have also been compared. Numerical predictions show good agreement with experimental data. Furthermore, the experimental data showed that the k-ε realizable turbulence model and the k-ω SST turbulence model performed better than transitional SST model in predicting the pollutant species from the flame. The result also shows that the PM performed better than flamelet models in predicting the combustion characteristics of NOX in the flame.