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This study delves into the investigation of multi-scale flow structures and combustion characteristics in a cavity-enhanced circular scramjet operating under a Mach-4.5 freestream flow condition with a total temperature of 2200 K and a total pressure of 164 kPa. To achieve this, a hybrid large-eddy/Reynolds-averaged Navier-Stokes method, coupled with a pressure-corrected Flamelet/Progress Variable model, is employed and validated. The combustion flow field shows abundant small- and medium-scale flow structures induced by compressibility and combustion heat release. Vorticity alteration is found to be mainly caused by these factors, with the volumetric expansion term and baroclinic term serving as the primary driving terms. The whole combustion process is characterized by zoning and multi-scale features in spatial, temporal, heat release and species distribution, arising from differences in fuel-air mixing state and chemical reaction rates in the flow field. The injection-formed bow shock and the cavity ramp-formed compression wave interact intensively with the fuel plume, enriching the turbulent structures and strongly coupling with the chemical reaction process. The cavity not only promotes fuel-air mixing and combustion, but also facilitate the rapid transition from the laminar-like flame to thickened turbulent combustion. Statistical analysis reveals that the combustion heat release is predominantly governed by the scramjet mode and the diffusion flames, and further demonstrates the multi-scale flow and chemical reaction characteristics. Most of the combustion flow field is observed to be governed by fast chemistry, primarily in the corrugated flamelet regime, while some slow chemistry zones are also identified, lying in the distributed reaction zone regime. [ABSTRACT FROM AUTHOR]

Principal component transport-based data-driven reduced-order models (PC-transport ROM) are being increasingly adopted as a combustion model of turbulent reactive flows to mitigate the computational cost associated with incorporating detailed chemical kinetics. Previous studies were mainly limited to replicating relatively-simple chemistry in canonical configurations. The objective of the present study, therefore, is to further explore the accuracy of PC-transport ROM on more complex combustion phenomenon where, for example, large hydrocarbon fuel chemistry spanning a broad range of thermochemical space governs sequential multi-stage compression ignition processes. The cumulative error of PC-transport for this problem, and for others that depend upon sequential highly nonlinear physics, has to be minimal as the combustion phasing and heat release rate in internal combustion engines depends upon accurate predictions of minor ignition species whose concentrations start from ashes and grow orders of magnitude over the course of low- and high-temperature autoignition. Specifically, the PC-transport ROM is applied to predict the compression ignition characteristics of lean n -heptane/air and primary reference fuel (PRF)/air mixtures in a two-dimensional (2-D) constant volume computational domain initialized with a two-dimensional isotropic turbulence spectrum and temperature inhomogeneities. PCA is used to define the low-dimensional manifold that represents the original thermochemical state vector, and artificial neural network (ANN) models are adopted to tabulate chemical kinetics, transport, and thermodynamic properties. A series of 2-D pseudo-turbulent simulations are performed at engine pressures by varying the initial mean and r.m.s. of temperature, turbulence intensity, and the composition of fuel/air mixture. The results show that the PC-transport ROM accurately reproduces the instantaneous and statistical ignition characteristics of the fuel/air mixture, aided by pre-processing techniques including species subsetting, data clustering, and data transformation. It is found that PCs are not properly scaled with a power transformer if reactants are included in the species subset, which leads to a decrease in the accuracy of the PC-transport ROM. A separation of the reactants from the species subset ensures that the temporal evolution of the PCs starts from zero and spans orders of magnitude with time, and as such, this approach is found to effectively redistribute both PCs and their source terms with a power transformer. The computational speed-up factor of the PC-transport ROM ranges between 5.1 and 15.0 for the cases with n -heptane/air mixture and PRF/air mixture, respectively. Moreover, a potential further speed-up is anticipated through a combination of reduction in grid resolution requirements and in the stiffness of the chemical system. As an example, many of the pre-processing methods for inhomogeneous compression ignition may also apply to other complex intermittent combustion phenomena. Novelty and significance statement • The PCA-based reduced-order model (PC-transport ROM) has been applied to the multi-stage compression ignition of large hydrocarbon fuels under HCCI-relevant conditions. The present work presents a systematic procedure to accurately capture the two-stage ignition behavior of lean n -heptane/air or PRF50/air mixture. • The present work demonstrates an advantage of the PC-transport ROM in terms of computational speed-up. The computational speed-up factor for the ROM is up to 15, and moreover, a potential additional speed-up is anticipated through the reduction in the spatial and temporal resolution required. • A series of 2-D PC-transport ROMs are conducted to demonstrate the robustness of the ROM. A limitation of the ROM against different operating conditions is also discussed. [ABSTRACT FROM AUTHOR]

In turbulent premixed flames at low Karlovitz number, combustion heat release can have a significant impact on turbulence. Thermal expansion in flame induces dilatation, and the corresponding pressure–dilatation correlation acts as a primary source of turbulent kinetic energy (TKE). As a consequence, the flame-normal component of the normal Reynolds stresses significantly increases. Additionally, for sheared flames, typical of jet flames, the shear component of the Reynolds stresses exhibits counter-Boussinesq behavior. For flames at low Karlovitz number, where these effects dominate, no models have successfully predicted all Reynolds stress components. To develop more complete turbulence models, heat release effects on the evolution of all Reynolds stress components need to be analyzed. In this work, Reynolds stress budgets are evaluated from Direct Numerical Simulation (DNS) databases of spatially-evolving turbulent premixed planar jet flames at low and high Karlovitz numbers. In the Reynolds stress budgets, the velocity–pressure gradient correlation term is important at both Karlovitz numbers but serves fundamentally different roles in each case. In the budgets for the normal components, the velocity–pressure gradient correlation term is decomposed into a redistribution term and an isotropic term, where the redistribution term acts to redistribute energy between the Reynolds stress components and the isotropic term is the pressure–dilatation source term of turbulent kinetic energy. At high Karlovitz number, the isotropic term is negligible, and the redistribution term acts to isotropize the turbulence as in non-reacting flows. Conversely, at low Karlovitz number, the isotropic term acts as a large source, and the redistribution term preferentially injects energy into the flame-normal component at the expense of other components which acts to make the turbulence less isotropic. In the budget for the shear component, the shear production term dominates the velocity–pressure gradient correlation term at high Karlovitz number, but the opposite is observed at low Karlovitz number. The dominance of the velocity–pressure gradient correlation term at low Karlovitz number is primarily induced by the flame-generated mean pressure gradient and ultimately leads to the counter-Boussinesq behavior of the shear component. The overall analysis indicates that any turbulence model that relies on small-scale isotropy and/or rapid isotropization will fail to capture the heat release effects on turbulence at low Karlovitz number. [ABSTRACT FROM AUTHOR]

Combustion characteristics of ethanol-water (EW) droplets laden with ceria nanoparticles are investigated. The present experimental study focuses on three facets of droplet combustion (i) burning time scale of droplets with and without NPs, (ii) pathways of secondary atomisation due to interface deformations and (iii) coupling of droplet shape deformations and flame heat release. A theoretical vaporisation timescale is advocated which considers natural convection-based evaporation, mass loss due to daughter droplet ejections, and flow through porous media. Droplets seeded with ceria nanoparticles, exhibit arrested surface undulations although internal ebullition is discernibly enhanced as compared to EW droplets without NPs. Deformations and formation of surface craters in EW droplets are traced to the imbalance between local vapour recoil (due to rapid ethanol vaporisation) and surface tension. Such craters collapse and form high-speed ligaments which eventually break at the tip through Rayleigh–Plateau mechanism. This pathway of secondary atomisation of EW droplets has been elucidated using a modified local weber number. On the contrary, for nanofuels, bubble rupture is the mechanism behind the surface crater formation. Proper orthogonal decomposition (POD) technique is utilised for investigating the droplet shape and flame heat release coupling. EW droplet shape and HR are found to be a synced system with a phase lag arising from the flame response timescale. However, a weak coupling is detected for nanofuel droplets. [ABSTRACT FROM AUTHOR]

In turbulent premixed combustion, turbulence is affected by both the influence of combustion heat release and turbulent shear effects. At low Karlovitz number, heat release effects are more dominant than turbulent shear effects, but, at high Karlovitz number, turbulent shear effects dominate the turbulence dynamics. Closure models for the velocity and scalar fields that only account for one of those effects are incapable of generally describing combustion-turbulence interactions at any finite Karlovitz number. A manifold-based turbulence model that solves the conditional mean momentum transport equation conditioned on a progress variable has the potential to provide such a general description, but closure models for the equation are required. Among the unclosed terms, the conditional mean pressure gradient is significant at both low and high Karlovitz numbers but has fundamentally different behaviors in each regime. In this work, a general closure model is developed to capture the conditional pressure gradient in both Karlovitz number regimes by considering heat release and turbulent shear effects. The deviation of the conditional pressure gradient from the unconditional pressure gradient is modeled with two components. One represents the pressure decrease across the flame due to combustion heat release, and the other represents the hydrodynamic pressure fluctuations due to turbulent shear. The heat release component depends on the heat release rate and the flame-normal vector, and the turbulent shear component depends on the conditional Reynolds stresses and the gradient of the progress variable probability density function. The model is validated against Direct Numerical Simulations of spatially-evolving turbulent premixed hydrogen/air planar jet flames at low and high Karlovitz numbers. The proposed model well captures the conditional pressure gradient at both Karlovitz numbers and shows a natural transition of its dominant term: the heat release component at low Karlovitz number and the turbulent shear component at high Karlovitz number. [ABSTRACT FROM AUTHOR]

We report the effects of the Lewis number on the turbulent kinetic energy, Reynolds stresses, and scalar fluxes in premixed jet flames with strong mean shear. The direct numerical simulation (DNS) of piloted turbulent premixed jet flames is performed under the same condition except for different Lewis numbers to isolate the Lewis number effects. The turbulence intensity within the mean flame brush is found to decay more rapidly along the axial distance with a smaller Lewis number. This Lewis number dependence results from the coupling of the mean shear and the combustion heat release, where the mean shear is the primary source of turbulence production. We show that, under the strain imposed by the mean shear and turbulence fluctuation, the heat release of premixed jet flames is significantly enhanced at the Lewis number smaller than unity, which is represented by the rising flamelet consumption speed and flame surface area. As a consequence, the mean shear within the flame brush is suppressed at small Lewis numbers via the dilatation effect, and the weakened mean shear production causes the fast turbulence suppression along the axial direction. The enhanced heat release at small Lewis numbers also increases the flame-normal Reynolds stress, and leads to the counter-Boussinesq behavior of the shear Reynolds stress and the counter-gradient transport of scalar fluxes. We model the Lewis number effects on local turbulence and scalar transport using the stretched laminar flame speed and thickness, and achieve overall good estimations of the flame-normal Reynolds stress and scalar transport at small Lewis numbers. [ABSTRACT FROM AUTHOR]

Brominated flame retardants (BFRs) are widely used in polymers due to their high effectiveness at relatively low cost. Recent studies suggest that certain BFRs may present health and environmental hazards, yet obtaining adequate replacements is an ongoing challenge. To develop new additives, it is of paramount importance to better understand the mechanisms governing the action of flame retardants in polymers, particularly their action in the gas phase, and to develop effective screening techniques for potential candidates. To address this challenge, a novel apparatus, the Milligram-scale Flame Calorimeter (MFC), is proposed. In MFC, the pyrolysis and gas-phase combustion processes are uncoupled. Samples of 35 ± 5 mg are pyrolyzed in an anaerobic atmosphere and their pyrolysis products are burned in a laminar, near axisymmetric diffusion flame under controlled and customizable conditions in a fully enclosed system. Heat release information is obtained through the oxygen consumption calorimetry. The masses of post-combustion pyrolysis residue and solid particulate combustion products (e.g., soot) are measured. In this manuscript, a description of the design, parametric optimization of test conditions, and overall testing methodology is given. Heat release measurements are presented for polystyrene with increasing amounts of brominated polystyrene as well as poly(butylene terephthalate) with increasing concentrations of aluminum diethylphosphinate and results are compared to the Cone Calorimetry (Cone) and Microscale Combustion Calorimetry (MCC) measurements conducted on the same materials. Using combustion efficiency as a metric, the sensitivity to both bromine and phosphorus gas-phase activity is determined. The impact of these flame retardants is pronounced in the Cone experiments and largely undetected by the MCC. The MFC shows trends with respect to the flame retardant content comparable to the Cone. However, the absolute values of MFC combustion efficiencies tend to be notably higher that those observed in the Cone experiments. Overall, the MFC results demonstrate that this novel apparatus can be used to detect gas-phase activity of flame retardants using milligram-sized samples. [ABSTRACT FROM AUTHOR]