Distributed computational fluid dynamics

Computational fluid dynamics simulations of relevance to jet-engine design, for instance, are extremely computationally demanding and the use of large-scale distributed computing will allow the solution of problems that cannot be tackled using current resources. It is often appropriate to leave the large datasets generated by CFD codes local to the compute resource in use at the time. This naturally leads to a distributed database of results that will need to be federated as a coherent resource for the engineering community. We describe the use of Globus and Condor within Cambridge for sharing computer resources, progress on defining XML standards for the annotation of CFD datasets and a distributed database framework for them

FROM HIGH-FIDELITY NUMERICAL SIMULATIONS OF A LIQUID-FILM ATOMIZATION TO A REGIME CLASSIFICATION

High-fidelity numerical simulations of spray formation were conducted with the aim of improving fundamental understanding of airblast liquid-film atomization. The gas/liquid interaction in the near-nozzle region is investigated for a multitude of operating conditions in order to extrapolate phenomenological and breakup predictions. To reach this goal, the robust conservative level-set (RCLS) method was used. For a fixed prefilmer geometry, we performed a parametric study on the impact of various liquid and gas velocities on the topological evolution of the liquid interface. The behavior and development of the liquid film is found to be influenced mainly by the relative inertia of the gas and the liquid, the liquid surface tension, and interfacial shear stresses. Preliminary regime maps predicting the prefilming liquid-sheet atomization behavior are constructed based on our numerical results. Three distinct types of “regime” are reported: accumulation, ligament-merging, and three-dimensional wave mode. In addition, these results also show the influence of vortex action and rim-driven dynamics on the breakup mechanism at the atomizer edge. An increase in liquid injection speed leads to the generation of smaller droplets; whereas, an increase in air velocity does not point to one simple conclusion

Scalar flux modeling in turbulent flames using iterative deconvolution

In the context of Large Eddy Simulations, deconvolution is an attractive alternative for modelling the un-closed terms appearing in the filtered governing equations. Such methods have been used in a number of studies for non-reacting and incompressible flows, however their application in reacting flows is limited in comparison. Deconvolution methods originate from clearly defined operations, and in theory can be used in order to model any un-closed term in the filtered equations including the scalar flux. In this study, an iterative deconvolution algorithm is used in order to provide a closure for the scalar flux term in a turbulent premixed flame by explicitly filtering the deconvoluted fields. The assessment of the method is conducted a priori using a three-dimensional direct numerical simulation database of a turbulent freely-propagating premixed flame in a canonical configuration. In contrast to most classical a priori studies, the assessment is more stringent as it is performed on a much coarser LES mesh which is constructed using the filtered fields as obtained from the direct simulations. For the conditions tested in this study, deconvolution is found to provide good estimates both of the scalar flux and of its divergence

Flame self-interactions with increasing turbulence intensity

© 2018 The Combustion Institute. The topology of flame-flame interaction is analysed for single turbulent premixed flames with increasing turbulence intensity. Morse theory for critical points is used for identifying the flame-flame interaction and characterising the local topology. The interactions have been categorised into four different groups, namely reactant pocket, tunnel formation, tunnel closure and product pocket. A histogram showing the frequency of occurrence of each of these groups is presented for single flames representative of hydrocarbon-air combustion and is compared with the results of colliding hydrogen-air flames. It is observed that most interactions for a single flame occur toward the leading edge. Also, more interactions are observed for higher intensity turbulence. The cylindrical topology types are found to dominate over spherical topology types. The relative frequency of occurrence of each type of topology is observed to change with changes in turbulence intensity. With increasing turbulence intensity, the fraction of product pockets and tunnel formation events increases whereas the fraction of reactant pockets and tunnel closure events decreases. The rise in product pockets is mirrored by the drop in reactant pockets, and likewise, the rise in tunnel formation events is mirrored by the drop in tunnel closure events

Reconciling turbulent burning velocity with flame surface area in small-scale turbulence

A discrepancy between the enhancement in overall burning rate and the enhancement in flame surface area measured for high-intensity turbulence is addressed. In order to reconcile the two quantities, an additional contribution from the effective turbulent diffusivity is considered. This contribution is expected to arise in sufficiently intense turbulence from eddies smaller than the flamelet thickness. In the present work, the enhancement in diffusivity arising from these eddies is estimated based on a model energy spectrum; individual contributions from all turbulence length scales smaller the flamelet thickness are integrated over the corresponding portion of the spectrum. It is shown that diffusivity enhancement, estimated in this manner, is able to account for the measured discrepancy between the overall burning rate enhancement and flame surface area enhancement. The factor quantifying this discrepancy is formalized as a closed-form function of the Karlovitz number.G.V.N. acknowledges the funding support of EPSRC grant EP/P022286/1

Reaction zones and their structure in MILD combustion

Three-dimensional direct numerical simulation (DNS) of turbulent combustion under moderate and intense low-oxygen dilution (MILD) conditions has been carried out inside a cuboid with inflow and outflow boundaries on the upstream and downstreamfaces respectively. The initial and inflowing mixture and turbulence fields are constructed carefully to be representative of MILD conditions involving partially mixed pockets of unburnt and burnt gases. The combustion kinetics is modelled using a skeletal mechanism for methane-air combustion, including non-unity Lewis numbers for species and temperature dependent transport properties. The DNS data is analysed to study theMILD reaction zone structure and its behaviour. The results show that the instantaneous reaction zones are convoluted and the degree of convolution increases with dilution and turbulence levels. Interactions of reaction zones occur frequently and are spread out in a large portion of the computational domain due to the mixture non-uniformity and high turbulence level. These interactions lead to local thickening of reaction zones yielding an appearance of distributed combustion despite the presence of local thin reaction zones. A canonical MILD flame element, called as MIFE, is proposed which represents the averaged mass fraction variation for major species reasonably well, although a fully representative canonical element needs to include the effect of reaction zone interactions and associated thickening effects on the mean reaction rate.YM acknowledges the financial support of Nippon Keidanren and Cambridge Overseas Trust. EPSRC support is acknowledged by NS. The support of Natural Sciences and Engineering Research Council of Canada is acknowledged by TL. This work made use of the facilities of HECToR, the UK’s national high-performance computing service, which is provided by UoE HPCx Ltd at the University of Edinburgh, Cray Inc and NAG Ltd, and funded by the Office of Science and Technology through EPSRCs High End Computing Programme.This is an Accepted Manuscript of an article published by Taylor & Francis in Combustion Science and Technology on 26 Jun 2014, available online: http://wwww.tandfonline.com/10.1080/00102202.2014.902814

Direct Numerical Simulations of premixed methane flame initiation by pilot n-heptane spray autoignition

Autoignition of n-heptane sprays in a methane/air mixture and the subsequent methane premixed flame ignition, a constant volume configuration relevant to pilot-ignited dual fuel engines, was investigated by DNS. It was found that reducing the pilot fuel quantity, increases its autoignition time. This is attributed to the faster disappearance of the most reactive mixture fraction (predicted from homogeneous reactor calculations) which is quite rich. Consequently, ignition of the n-heptane occurs at leaner mixtures. The premixed methane flame is eventually ignited due to heating gained by the pressure rise caused by the n-heptane oxidation, and heat and mass transfer of intermediates from the n-heptane autoignition kernels. For large amounts of the pilot fuel, the combustion of the n-heptane results in significant adiabatic compression of the methane–air mixture. Hence the slow methane oxidation is accelerated and is further promoted by the presence of species in the oxidizer stream originating from the already ignited regions. For small amounts of the pilot fuel intermediates reach the oxidizer stream faster due to the very lean mixtures surrounding the n-heptane ignition kernels. Therefore, the premixed methane oxidation is initiated at intermediate temperatures. Depending on the amount of n-heptane, different statistical behaviour of the methane oxidation is observed when this is investigated in a reaction progress variable space. In particular for large amounts of n-heptane the methane oxidation follows roughly an autoignition regime, whereas for small amounts of n-heptane methane oxidation is similar to a canonical premixed flame. The data can be used for validation of various turbulent combustion models for dual-fuel combustion.The computational costs for this work were covered by the EPSRC project ref. no. EP/J021997/1.This is the author accepted manuscript. The final version is available from Elsevier via http://dx.doi.org/10.1016/j.combustflame.2015.09.01

On the validity of Damköhler's first hypothesis in turbulent Bunsen burner flames: A computational analysis

The validity of Damköhler's first hypothesis, which relates the turbulent flame speed to turbulent flame surface area under the condition where the integral length scale of turbulence is greater than the flame thickness, has been assessed using three-dimensional Direct Numerical Simulations (DNS) of turbulent premixed Bunsen burner flames over a range of values of Reynolds number, pressure and turbulence intensity. It has been found for the Bunsen configuration that the proportionality between volume-integrated burning rate and the overall flame surface area is not strictly maintained according to Damköhler's first hypothesis. The discrepancy is found to originate physically from the local stretch rate dependence of displacement speed, and this helps to explain differences observed previously between flames with and without mean curvature. Approximating the local density-weighted flame propagation speed with the unstrained laminar burning velocity is shown to be inaccurate, and can have a significant influence on the prediction of the overall burning rate for flames with non-zero mean curvature. Using a two-dimensional projection of the actual scalar gradient for flame area evaluation is shown to exacerbate the loss of proportionality between volume-integrated burning rate and the overall flame surface area. The current analysis identifies the conditions under which Damköhler's hypothesis remains valid and the necessary correction for non-zero mean flame curvature. Further, it has been demonstrated that surface-weighted stretch effects on displacement speed need to be accounted for in order to ensure the validity of Damköhler's hypothesis under all circumstances. Finally, it has been found that the volume-integrated density-weighted scalar dissipation rate remains proportional to the overall burning rate for all flames considered here irrespective of the value of Reynolds number, pressure and turbulence intensity. However, this proportionality is lost when the scalar dissipation rate is evaluated using the two-dimensional projection of the actual scalar gradient

Large-eddy simulation of a bluff-body stabilised turbulent premixed flame using the transported flame surface density approach

A premixed propane–air flame stabilised on a triangular bluff body in a model jet-engine afterburner configuration is investigated using large-eddy simulation (LES). The reaction rate source term for turbulent premixed combustion is closed using the transported flame surface density (TFSD) model. In this approach, there is no need to assume local equilibrium between the generation and destruction of subgrid FSD, as commonly done in simple algebraic closure models. Instead, the key processes that create and destroy FSD are accounted for explicitly. This allows the model to capture large-scale unsteady flame propagation in the presence of combustion instabilities, or in situations where the flame encounters progressive wrinkling with time. In this study, comprehensive validation of the numerical method is carried out. For the non-reacting flow, good agreement for both the time-averaged and root-mean-square velocity fields are obtained, and the Karman type vortex shedding behaviour seen in the experiment is well represented. For the reacting flow, two mesh configurations are used to investigate the sensitivity of the LES results to the numerical resolution. Profiles for the velocity and temperature fields exhibit good agreement with the experimental data for both the coarse and dense mesh. This demonstrates the capability of LES coupled with the TFSD approach in representing the highly unsteady premixed combustion observed in this configuration. The instantaneous flow pattern and turbulent flame behaviour are discussed, and the differences between the non-reacting and reacting flow are described through visualisation of vortical structures and their interaction with the flame. Lastly, the generation and destruction of FSD are evaluated by examining the individual terms in the FSD transport equation. Localised regions where straining, curvature and propagation are each dominant are observed, highlighting the importance of non-equilibrium effects of FSD generation and destruction in the model afterburner.The authors would like to acknowledge financial support from the Dorothy Hodgkin Postgraduate Award and Rolls-Royce Plc