An updated reduced gas-phase kinetic mechanism was developed and integrated with aerosol models to predict soot formation characteristics in ethylene nonpremixed and premixed flames. A primary objective is to investigate the sensitivity of the soot formation to various chemical pathways for large polycyclic aromatic hydrocarbons (PAH). The gas-phase chemical mechanism adopted the KAUST-Aramco PAH Mech 1.0, which utilized the AramcoMech 1.3 for gas-phase reactions validated for up to C2 fuels. In addition, PAH species up to coronene (C 24 H 12 or A7) were included to describe the detailed formation pathways of soot precursors. In this study, the detailed chemical mechanism was reduced from 397 to 99 species using directed relation graph with expert knowledge (DRG-X) and sensitivity analysis. The method of moments with interpolative closure (MOMIC) was employed for the soot aerosol model. Counterflow nonpremixed flames at low strain rate sooting conditions were considered, for which the sensitivity of soot formation characteristics to different nucleation pathways were investigated. Premixed flame experiment data at different equivalence ratios were also used for validation. The findings show that higher PAH concentrations result in a higher soot nucleation rate, and that the total soot volume and average size of the particles are predicted in good agreement with experimental results. Subsequently, the effects of different pathways, with respect to pyrene-or coronene-based nucleation models, on the net soot formation rate were analyzed. It was found that the nucleation processes (i.e., soot inception) are sensitive to the choice of PAH precursors, and consideration of higher PAH species beyond pyrene is critical for accurate prediction of the overall soot formation.

CitationChong ST, Raman V, Mueller ME, Selvaraj P, Im HG (2018 AbstractThe simulation of turbulent sooting flames requires a host of models, of which the two critical components are the chemical kinetics that describe soot precursor evolution and the description of the soot population. The purpose of this study is to understand the sensitivity of soot predictions in a realistic aircraft combustor to model choices for these components. Two different chemistry mechanisms, three different statistical approaches, and two different soot inception models are considered. The simulations show that acetylene-based soot inception produces very high soot volume fraction, with the soot particles present predominantly in the inner recirculation zone of the swirl-stabilized combustor. The PAH-based nucleation models lead to soot generation in the shear layers emanating from fuel injection. The two advanced statistical approaches (Hybrid and Conditional Quadrature Method of Moments) also show significant differences. While the Hybrid method produces lower soot number density, it also generates larger soot particles due to a faster predicted rate of coagulation. The Conditional Quadrature approach produces much higher soot number density, but its particle sizes are smaller compared to the Hybrid method for all kinetic mechanisms considered. This experimental combustor is strongly dominated by surface growth based soot mass addition. As a result, even if nucleation/condensation rates are different, the final soot mass yield is comparable for PAH-based soot models. These results indicate the importance of not only the chemical mechanism, which may be less important in this surface growth dominated combustor, but also the soot statistical model, to which coagulation and the soot surface area are relatively sensitive.

The article presents computational fluid dynamics studies on heat transfer, pressure drop, friction factor, Nusselt number and thermal hydraulic performance of a plain tube and tube equipped with the three types of internal grooves (circular, square and trapezoidal).Water was used as the working fluid. Tests were performed for Reynolds number ranges from 5000 to 13500 for plain tube and different geometry inside grooved tubes. The maximum increase of pressure drop was obtained from numerical modeling 74% for circular, 38% for square, and 78% for trapezoidal grooved tubes were compared with plain tube. Based on computational fluid dynamics analysis the average Nusselt number was increased up to 37%, 26%, and 42% for circular, square and trapezoidal grooved tubes, respectively, while compared with the plain tube. The thermal hydraulic performance was obtained from computational fluid dynamics analysis up to 38% for circular grooved tube, 27% for square grooved tube and 40% for trapezoidal grooved tube while compared with the plain tube.

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Today, the applications of sprays cover a wide range of fields. Their role in internal combustion engines is instrumental in maintaining higher engine efficiency. A deeper understanding of the liquid-gas phase interaction in sprays is crucial to the atomization process. The methods and models used in the simulations have their challenges due to the various discretization schemes and solutions used. To develop and validate the computational models, well defined experimental data is required. In the present work, spray characteristics were studied numerically through OpenFOAM. As the spray characteristics are closely linked with the liquid breakup length, this study focuses on the primary breakup phenomena and the breakup length of the liquid jet emanating from the twin-fluid co-axial flow atomizer. Numerical simulations were performed for a wide range of initial conditions and the breakup length of the spray was validated against the experimental observed by Sivadas et al., [26]. These simulations were carried out using a Eulerian based VOF solver that models the fluid as a continuum. K-Epsilon model was used to predict the turbulent nature of the spray. The air and water velocities were varied between 19.0 to 31.3 m/s and 0.7 to 1.8 m/s respectively. The proposed model was able to predict the computed breakup length within 20% of the experimental values. The present model can be further extended to test for a co-axial swirl injector to predict finer spray formation.

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