Direct numerical simulations of exhaust gas recirculation effect on multistage autoignition in the negative temperature combustion regime for stratified HCCI flow conditions by using H2O2 addition

Direct numerical simulations (DNSs) of a stratified flow in a homogeneous compression charge ignition (HCCI) engine are performed to investigate the exhaust gas recirculation (EGR) and temperature/mixture stratification effects on the autoignition of synthetic dimethyl ether (DME) in the negative temperature combustion region. Detailed chemistry for a DME/air mixture is employed and solved by a hybrid multi-time scale (HMTS) algorithm to reduce the computational cost. The effect of to mimic the EGR effect on autoignition are studied. The results show that adding enhances autoignition by rapid OH radical pool formation (34–46% reduction in ignition delay time) and changes the ignition heat release rates at different ignition stages. Sensitivity analysis is performed and the important reactions pathways affecting the autoignition are specified. The DNS results show that the scales introduced by thermal and mixture stratifications have a strong effect after the low temperature chemistry (LTC) ignition especially at the locations of high scalar dissipation rates. Compared to homogenous ignition, stratified ignitions show similar first autoignition delay times, but 18% reduction in the second and third ignition delay times. The results also show that molecular transport plays an important role in stratified low temperature ignition, and that the scalar mixing time scale is strongly affected by local ignition in the stratified flow. Two ignition-kernel propagation modes are observed: a wave-like, low-speed, deflagrative mode and a spontaneous, high-speed, ignition mode. Three criteria are introduced to distinguish these modes by different characteristic time scales and Damkhöler numbers using a progress variable conditioned by an ignition kernel indicator. The low scalar dissipation rate flame front is characterized by high displacement speeds and high mixing Damkhöler number. The proposed criteria are applied successfully at the different ignition stages and approximate characteristic values are identified to delineate between the different ignition propagation modes.     

Flame propagation in a small-scale parallel flow

We consider the propagation of laminar premixed flames in the presence of a parallel flow whose scale is smaller than the laminar flame thickness. The study addresses fundamental aspects with relevance to flame propagation in narrow channels, to the emerging micro-combustion technology, and to the understanding of the effect of small scales in a (turbulent) flow on the flame structure. In part, the study extends the results of a previous analytical study carried out in the thick flame asymptotic limit which has in particular addressed the validity of Damköhler's second hypothesis in the context of laminar steady parallel flows. Several new contributions are made here.

Analytical contributions include the derivation of an explicit formula for the effective speed of a premixed flame U _T in the presence of an oscillatory parallel flow whose scale ? (measured with the laminar flame thickness δ _L ) is small and amplitude A (measured with the laminar flame speed U _L ) is (1). The formula shows a quadratic dependence on both the amplitude and the scale of the flow. The validity of the formula is established analytically in two distinguished limits corresponding to (1) frequencies of oscillations (measured with the natural frequency of the flame U _L /δ _L ), and to higher frequencies of (A/?) (the natural frequency of the flow). The analytical study yields partial support of Damköhler's second hypothesis in that it shows that the flame behaves as a planar flame (to leading order) with an increased propagation speed which depends on both the scale and amplitude of the velocity fluctuation. However our formula for U _T contradicts the formula given by Damköhler in his original paper where U _T has a square root dependence on the scale and amplitude.

Numerical contributions include a significant set of two-dimensional calculations which determine the range of validity of the asymptotic findings. In particular, these account for volumetric heat loss and differential diffusion effects. Good agreement between the numerics and asymptotics is found in all cases, both for steady and oscillatory flows, at least in the expected range of validity of the asymptotics. The effect of the frequency of oscillation is also discussed. Additional related aspects such as the difference in the response of thin and thick flames to the combined effect of heat loss and fluid flow are also addressed. It is found for example that the sensitivity of thick flames to volumetric heat loss is negligibly affected by the parallel flow intensity, in marked contrast to the sensitivity of thin flames. Interestingly, and somewhat surprisingly, thin flames are found to be more resistant to heat loss when a flow is present, even for unit Lewis number; this ceases to be the case, however, when the Lewis number is large enough.     

Triple-flame propagation in a parallel flow: an analytical study

We present an analytical study of triple-flame propagation in a two-dimensional mixing layer against a parallel flow. The problem is formulated within a constant density thermo-diffusive model, and solved analytically in the asymptotic limit of large activation energy of the chemical reaction for flames thin compared with their typical radius of curvature. Explicit expressions are obtained in this limit, describing the influence of the flow on the triple-flame. The results are expected to be applicable when the ratio between the flow-scale and the flame-front radius of curvature (which is mainly dictated by concentration gradients) is of order unity, or larger. When this ratio is large, as in the illustrative case of a Poiseuille flow in a porous channel considered here, the flow is found to negligibly affect the flame structure except for a change in its speed by an amount which depends on the stoichiometric conditions of the mixture. On the other hand, when this ratio is of order unity, the flow is able to significantly wrinkle the flame-front, modify its propagation speed, and shift its leading edge away from the stoichiometric line. The latter situation is investigated in the illustrative case of spatially harmonic flows. The results presented describe, in particular, how the leading-edge of the flame-front can be determined in terms of the flow amplitude A which is critical in determining the flame speed. The latter is found to depend linearly on A in the first approximation with a correction proportional to the flame thickness multiplied by , for |A| sufficiently large. The effect of varying the flow-scale on flame propagation in this context is also described, with explicit formulae provided, and interesting behaviours, such as non-monotonic dependence on the scale, identified.     

Quasi steady state and partial equilibrium approximations: their relation and their validity

The quasi steady state and partial equilibrium approximations are analysed in the context of a system of nonlinear differential equations exhibiting multiscale behaviour. Considering systems in the most general and dimensional form , it is shown that both approximations are limiting cases of leading-order asymptotics. Algorithmic conditions are established which guarantee that the accuracy and stability delivered by the two approximations are equivalent to those obtained with leading-order asymptotics. It is shown that the quasi steady state approximation is a limiting case of the partial equilibrium approximation. Algorithms are reported for the identification of the variables in quasi steady state and/or of the processes in partial equilibrium.     

Parametric study on a compound-drop spray flame

The introduction of compound-drop spray in a combustion system is a new concept. These droplets bear two gasification stages to cause an integral positive or negative effect on a premixed flame to raise or lower the local temperature of the gasification region. In this paper, we adopt a compound drop which contains a water core encased by a layer of shell fuel. A one-dimensional homogeneous lean or rich premixed flame with the dilute compound-drop spray was investigated by using large activation energy asymptotic analysis. The compound-drop spray burning mode was defined and divided into completely pre-vaporised burning (CPB), shell pre-vaporised burning (SPB) and shell partially pre-vaporised (SPP) burning modes by way of the gasification zones of the shell fuel and the core water relative to the flame position. The influences of the initial droplet radius, the shell-fuel mass fraction and the liquid loading of the compound-drop spray on the lean and rich flames were analysed. By means of the normalisation parameter of flame propagation mass flux (), enhancement, suppression or extinction of the compound-drop spray flame can be represented clearly. Furthermore, from the observation of extinction, the necessary conditions of extinction of a lean spray flame by the internal heat transfer are that the spray is a negative effect and causes a sufficient heat loss rate at flame sheet downstream side. For a rich spray flame, three extinction patterns were observed; they occur in SPP, SPB or at the critical SPB mode, but do not in CPB. The extinction maps of the compound-drop spray demarcate the patterns and also indicate the limitations and corresponding conditions of the flame extinction.     

Uncertainty propagation of chemical kinetics parameters and binary diffusion coefficients in predicting extinction limits of hydrogen/oxygen/nitrogen non-premixed flames

A comprehensive investigation of the uncertainties associated with the experimental and numerical evaluation of the extinction strain rate in hydrogen/oxygen/nitrogen non-premixed flames is presented in this work. The reported new experimental uncertainties of the extinction strain rate include several sources of uncertainties that typically affect the characterisation of velocity and boundary conditions of counterflow flames via particle image velocimetry. The uncertainties associated with the numerical determination of the extinction strain rate not only depend upon the selected chemical kinetics parameters but also on the binary diffusion coefficients. In order to identify the major sources of uncertainties in the chemical and diffusion models, a Monte Carlo based high-dimensional model representation analysis of the extinction curve was performed. Independent and simultaneous perturbations of relevant chemical kinetics and diffusion parameters have shown that the uncertainties associated with the binary diffusion coefficients are about a factor of 10 smaller than the uncertainty due to chemical kinetics parameters. Since the experimentally well known binary diffusion coefficient for hydrogen and nitrogen, , accounts for most of the propagated uncertainty of the diffusion model, it is shown here that only a reduction of the uncertainty of chemical kinetics parameters will have a significant impact in improving the accuracy of the extinction strain rate predictions.