Stochastic Modeling of Partially Stirred Reactor (PaSR) for the Investigation of the Turbulence-Chemistry Interaction for the Ammonia-Air Combustion

• Published in: Flow, turbulence and combustion turbulence and combustion, 2024-02, Vol.112 (2), p.509-536
• Main Authors: Yu, Chunkan, Cai, Liming, Chen, Jyh-Yuan
• Format: Article
• Language: English
• Subjects: Ammonia; Automotive Engineering; Combustion; Emissions; Engineering; Engineering Fluid Dynamics; Engineering Thermodynamics; Fluid- and Aerodynamics; Heat and Mass Transfer; Heat loss; Hydrogen enrichment; Modelling; Nitrogen oxides; Oxygen enrichment; Premixed flames; Probability density functions; Radiation; Stochastic models; Thermal radiation; Transport equations; Turbulence; Turbulent mixing
• ISSN: 1386-6184; 1573-1987
• DOI: 10.1007/s10494-023-00501-7

The Partially Stirred Reactor (PaSR) model is carried out for the ammonia-air combustion system by means of stochastic modeling, namely by solving the transport equation for the joint Probability Density Function (PDF). The turbulent mixing is accounted for by the Linear Mean-Square Estimation (LMSE) mixing model. Notwithstanding the simplified nature of the PaSR modeling, the transported-PDF method enables capturing the effect of mixing frequency on the combustion system, especially the NOx emission. Since the chemical source term is in a closed form in the transported-PDF method, it allows us to apply different chemical mechanisms to explore, whether the set of elementary reactions that are identified as important for the prediction of NOx in the PaSR model is sensitive to the choice of chemical mechanisms. Furthermore, the effect of the residence time in the PaSR model has also been studied, and compared with those in the Perfectly Stirred Reactor (PSR) model (infinite large mixing frequency). Moreover, since the ammonia under oxygen enrichment shows some similar combustion behaviors in terms of e.g. laminar burning velocity as the ammonia under hydrogen enrichment, how large the difference of thermo-kinetic states (e.g. temperature and NOx emission) predicted by PaSR models and in laminar premixed flame configuration is also investigated. A further discussion focuses on the effect of thermal radiation, where the radiative heat loss roles in the prediction of NOx for the turbulent simulation is examined. By using the optically thin approximation model, it is shown that the thermal radiation exhibits little effect on the considered combustion systems within a typical turbulent time-scale.