Preferential Diffusion Effects Research Articles

Choice of reaction progress variable under preferential diffusion effects in turbulent syngas combustion based on detailed chemistry direct numerical simulations

The combustion of hydrogen and carbon-monoxide mixtures, so-called syngas, plays an increasingly important role in the safety context of non-fossil energy generation, more specifically in the risk management of incidents in process engineering plants for ammonia synthesis and in nuclear power plants. In order to characterize and simulate syngas/air combustion on industrially relevant scales, subgrid modelling is required, which is often based on a reaction progress variable. To understand the influence of different fuel compositions, turbulence intensities and flame topologies on different possible definitions of reaction progress variable, detailed chemistry direct numerical simulations data of premixed, lean hydrogen/air and syngas/air flames has been considered. A reaction progress variable based on normalized molecular oxygen mass fraction has been found not to capture the augmentation of the normalized burning rate per unit flame surface area in comparison to the corresponding 1D unstretched premixed flame due to preferential diffusion effects. By contrast, reaction progress variables based on other individual species, such as hydrogen, can capture the augmentation of the rate of burning well, but exhibit a pronounced sensitivity to preferential diffusion effects, especially in response to flame curvatures. However, a reaction progress variable based on the linear combination of the main products can accurately represent the temperature evolution of the flame for different mixtures, turbulence intensities and varying local flame topology, while effectively capturing the augmentation of burning rate due to preferential diffusion effects. However, its tendency to assume values larger than 1.0 in the regions of super-adiabatic temperatures poses challenges for future modeling approaches, whereas the reaction progress variable based on hydrogen mass fraction remains bound between 0.0 and 1.0 despite showing deviations in comparison to corresponding variations obtained from the unstretched laminar flame depending on flame curvature variations.

Turbulent partially cracked ammonia/air premixed spherical flames

The combustion of ammonia requires, for most energy conversion systems, a combustion promoter such as hydrogen to guarantee the start-up, stability and combustion efficiency. Partially cracked ammonia (PCA) can provide sufficient hydrogen concentrations to enhance the burning velocity in comparison with pure ammonia. However, little work exists on the use of PCA blends operating under relevant turbulent conditions. To that end the outwardly propagating spherical flame configuration was employed to determine the laminar and turbulent flame propagation characteristics of PCA (NH3/(H2+N2)) and corresponding binary (NH3/H2) mixtures across various turbulent combustion regimes. First, PCA and ammonia-hydrogen blends exhibit similar flame propagation rates under various turbulent intensities, even for the laminar case. The highest turbulent burning velocity was observed at leanest conditions, as opposed to laminar flames which exhibited highest flame speed at conditions above stoichiometry. Under rich conditions, no substantial flame enhancement due to turbulence was measured irrespective of the hydrogen content. This lack of flame enhancement under turbulent conditions is attributed to the effect of preferential diffusion with good agreement observed with trends in measured Markstein numbers. The normalized turbulent flame speed is dominated by the enhanced molecular diffusivity afforded by the presence of hydrogen up to 15 % enrichment, prior to decreasing upon further hydrogen addition under lean and stoichiometric conditions. This ‘bending’ phenomenon may be the contribution of several factors including; the transitioning between combustion regimes associated with low Damköhler numbers (Da) and flame thickening; merging of flamelets due to the presence of ammonia enhancing wrinkling; and combined changes in laminar burning velocity and preferential diffusional behavior. Furthermore, good agreement for turbulent flame speed is observed with a correlation that includes the influence of turbulent stretch (Ka) and non-equidiffusion (Le), with the agreement reducing with decreasing chemical to turbulent time scale ratios (Da << 1).

Large eddy simulation of turbulent non-premixed oxy-fuel jet flames with different Reynolds numbers

Due to differences in the physical and chemical properties of CO2 and N2, along with a reduction in the momentum ratio between oxidant and fuel streams, the local extinction of oxy-fuel flames is significantly more pronounced compared to conventional air–fuel flames, which poses challenges in the design and operation of oxy-fuel burners. This study further validates the species-weighted flamelet/progress variable (FPV) model proposed in previous work [Jiang et al., 2023], particularly in oxy-fuel flames characterized by highly local extinction. Large eddy simulations were conducted on the Sandia oxy-fuel jet diffusion flame at various Reynolds numbers. The predictions are systematically compared with experimental data, and the influence of Reynolds number on local extinction is thoroughly analyzed. The results demonstrate that the numerical simulation effectively predicts mean temperature, species mass fractions, differential diffusion parameters (ZHC), and local extinction in oxy-fuel jet flames across a wide range of Reynolds numbers. The errors in predicted mean temperature and mass fractions exhibit a slight increase with rising Reynolds numbers, yet remain below 15 %. As the Reynolds number increases from 12,000 to 18,000, the predicted peak ZHC decreases by 30 %, and the beneficial effect of preferential diffusion of H2 weakens, while the adverse effect of CO2 on combustion becomes stronger.

Experimental study on the structure and propagation of the stretched hydrogen-rich turbulent premixed flames in the thin-reaction-zone regime

An experimental study on the structure and propagation of the stretched hydrogen-rich premixed turbulent flames in the thin-reaction-zone regime was conducted. A set of optical diagnostic techniques including the 2D/3D-particle image velocimetry, hot wire anemometer, intensified charge-coupled device (ICCD), and laser tomography visualization (LTV) methods were adopted to quantitatively measure the velocity field, turbulent intensity, and thickness of the stretched flame of the under various conditions. A new method to improve the measurements of the flame preheat zone thickness was developed by using the low-temperature available LTV method to identify the onset of the preheat zone and using the peak location of CH* to identify the reaction zone. The results showed that the flow field was in the inertial turbulent subrange and the turbulent flames obtained in the present counterflow configuration were categorized into the thin reaction zone regime in Borghi/Peters turbulent flame diagram. The experimental results showed that the flame structure of a turbulent H2-rich premixed flame was synergistically influenced by the hydrodynamic stretch, turbulence, and preferential diffusion. New evidence of the phenomenon accumulated that large-scale vortices wrinkled the surface of the flame while small-scale vortices penetrated into the flame preheat zone. Scaling laws for the turbulent flame propagation speed, apparent turbulent thermal conductivity, and were given with the consideration of the synergetic effect of hydrodynamic stretch, turbulence, and preferential diffusion. The scaling of the turbulent flame preheat zone thickness turned out to be sensitive, while those of the turbulent flame propagation speed and apparent turbulent thermal conductivity were insensitive, to the bulk flow strain rate.

Effects of preferential diffusion and flame stretch on FGM method for numerical simulations of ammonia/air premixed combustion

Importance of the considerations of preferential diffusion and flame stretch effects in the flamelet-generated manifold (FGM) method on the prediction accuracy is investigated by two-dimensional numerical simulations of cylindrical NH3/air premixed flames, under the conditions of an unburnt gas temperature of 673K, an ambient pressure of 2MPa, and equivalence ratios of 0.8 to 1.2. Results of the numerical simulations using the detailed chemistry, in which 32 species and 204 reactions are directly solved in the physical space without the FGM method, show that the mixture fraction in the burnt gas increases from the unburnt gas value when considering the preferential diffusion effect, whereas it remains flat when assuming the unity Lewis number. This means that assuming the unity Lewis number causes the underprediction and overprediction of the burnt gas temperature under fuel-lean and fuel-rich conditions, respectively. Results of the numerical simulations using the FGM methods show that considering the preferential diffusion and flame stretch effects in the FGM method is important for accurate prediction of the flame propagating speed, and the effectiveness is more evident for the flame stretch effect than for the preferential diffusion effect for the NH3/air premixed flames.

Direct pore-level simulation of hydrogen flame anchoring mechanisms in an inert porous media

This work addresses the stabilization of hydrogen flames inside porous media. Hydrogen is a peculiar fuel with a large molecular diffusivity, triggering preferential diffusion and other effects related to non-unity Lewis numbers. Consequently, the macro-scale behavior of hydrogen flames is highly influenced by the flame-wall interactions at the pore-scale. In this study, direct pore-level simulations are used for the investigation of anchoring mechanisms and burning-rate enhancement for lean hydrogen flames embedded in inert porous media. It is observed that preferential diffusion greatly enhances flame anchoring, in the wake of the struts, leading to a high increase in flame surface. Also, the local heat release rate is enhanced not only by the higher gas temperature resulting from the heat recirculation but also by the higher local equivalence ratio resulting from preferential diffusion. Furthermore, most of the heat produced by a hydrogen flame is released by the hydroperoxyl reactions, effective at low temperatures but necessitating radicals, mostly H. These radicals are produced by the shuffle reactions, effective at higher gas temperatures. The coupling between those two reaction groups is very dependent on the transport of radicals, which can be impacted by the pore scale velocity gradient, leading to hydrodynamic dispersion and flame wrinkling. Consequently, it is shown that the burning-rate enhancement observed within porous burners fueled with hydrogen is not only due to heat recirculation but also to increased transports of radicals and preferential diffusion effects, which should be accounted for in macroscopic models.

Numerical investigation on the mixing performance of H2/CH4 blends and air in a curved miniature combustor

Mixing performance of H2/CH4 blends and air in a curved miniature combustor was numerically studied. The results indicate the following. (1) The mixing performance of H2 is much better than that of CH4 due to the preferential diffusion effect. (2) Mixing of CH4 and air is dominated by diffusion at low velocities, and convection at medium and high velocities. Mixing of H2 and air is dominated by diffusion at low and medium velocities, and convection at high velocities. (3) Increasing the nominal equivalence ratio leads to an increased diffusion rate due to the generation of large fuel concentration gradient perpendicular to the mainstream. (4) A higher hydrogen blending ratio intensifies fuel stratification at the combustor entrance, decreases the Dean vortices intensities, and deteriorates the mixing performance. (5) Among the factors investigated, average velocity and hydrogen blending ratio have the most and least significant effects, respectively, on the mixing performance.

Effects of unburnt reaction progress on stretch flame dynamics under elevated temperatures

Flames in practical combustors and engines are inevitably subject to the effects of upstream chemical reaction progress and stretch, induced by elevated thermodynamic conditions and flow non-uniformities, respectively. Recent shock tube experiments and simulation studies on flame propagation have shown that flame speed under engine-relevant conditions can be enhanced with non-negligible upstream chemical reaction progress, especially when low-temperature heat release is involved in the unburnt mixture. On the other hand, depending on the mixture equivalence ratio and diluents, nonequidiffusion (including the non-unity Lewis number effect and the preferential diffusion effect) can couple with the flame stretch to fundamentally affect the flame propagation, which can manifest as either facilitation or suppression. Depending on the transport property of a reacting mixture, there hence can be either inhibition or promotion from unburnt reaction progress and stretch effects on flame propagation. In the current work, through one-dimensional numerical simulations of transient planar and spherical flames of n-heptane/air under elevated thermodynamic conditions, the combined effects of upstream chemical reaction progress and stretch on flame propagation are investigated. Results show that for both lean and rich n-heptane/air mixtures, flame speed can be substantially promoted with reaction progress, while the rich mixtures can exhibit opposite stretch dependence after first-stage ignition. Different definitions of effective Lewis number are adopted to explain the change in Markstein length for spherical flame in lean and rich mixtures reformed by the low temperature chemistry. This work fills an important gap in laminar premixed flame research relevant to practical combustion systems and can provide useful insight into local turbulent flame behaviors and phi-sensitivity in engine combustion.

Turbulent Flame Speed and Flame Characteristics of Lean Premixed H2-CH4 Flames at Moderate Pressure Levels

Abstract Carbon dioxide emissions in gas turbine power generation can be reduced by adding an increasing amount of hydrogen to the existing natural gas-fueled combustion systems. To enable safe operation, more insight on how H2 addition affects turbulent flame speed and other important flame characteristics is needed. In this work, the investigation of hydrogen addition effects on certain flame properties has been carried out in a high-pressure axial-dump combustor at gas turbine relevant conditions. OH planar laser induced fluorescence (PLIF) was applied to retrieve flame front contours and turbulent flame speed. The results show that as the concentration of hydrogen in the fuel mixture increases, turbulent flame speed and flame characteristics change drastically. Two main regimes can be identified: From 0 to 50% vol. Hydrogen, the turbulent flame speed increases weakly in an almost linear fashion, while from 50% vol. to 100% vol. the trend sharply changes and the higher reactivity of hydrogen, combined with a lower Lewis number, cause thermal-diffusive instability and preferential diffusion effects to become increasingly strong, leading to very high burning rates. The presented results help to understand and to define the relevant modifications that are necessary to successfully operate gas turbine combustor systems with high H2 content fuels.

LES of premixed jet flames subjected to extreme turbulence using flamelet-generated manifolds: a comparison of unstrained and strained flamelets

Two piloted premixed CH 4 /air jet flames with extreme turbulence are modelled using the Flamelet-Generated Manifold (FGM) method in the context of Large Eddy Simulation (LES). Free-propagating and reactant-to-product laminar flames are adopted to build unstrained and strained chemical databases, respectively. Detailed comparison of the LES-FGM results using the unstrained/strained databases is conducted which is validated against the direct numerical simulation results. The results show that whether including straining effects in the database will not influence the modelling of temperature and major species (e.g. CH 4 , O 2 and CO 2 ), but using a strained database is essential for predictions of intermediate minor species (e.g. H 2 , CH 2 O, OH and CO). The main reason is that the major species and temperature are almost insensitive to the straining due to the supportive effects from the pilot flame, which also tentatively explains why the unstrained database can be employed to model these strong turbulent flames. In contrast, the intermediate minor species are more prone to the straining, so that using a strained database is crucial. The preferential diffusion effects on the species and temperature predictions are examined to be negligible. It is proposed that adding extra transport equations for these minor species also leads to satisfactory predictions if using an unstrained database, which helps to include the straining effects on the minor species. This study is expected to be significant in high-fidelity simulations of strong turbulent flames using flamelet-tabulated combustion models.

Heat release characteristics of ammonia flames in MILD conditions

Ammonia (NH3) combustion is an attractive energy source with zero carbon dioxide (CO2) emissions and a potential hydrogen-combustion enabler. In addition, the availability of ammonia and its amenability to transportation make it appealing to future energy supply. To provide fundamental insights into the heat release characteristics of ammonia in moderate or intense low oxygen dilution (MILD) combustion, one-dimensional laminar and two-dimensional turbulent premixed flames are studied numerically. In particular, the flame structure and heat release distribution of ammonia and ammonia-hydrogen premixed flames are examined under conventional and MILD, and preheated conditions, respectively. The results show that stoichiometric ammonia MILD flames differ from normal ammonia flames producing NH2 earlier, which results in the formation of a radical pool that shifts the chemical pathway towards hydrogen-related chemistry. The NH2 radical serves as a precursor for the ammonia flame and characterizes the reaction zone, and plays a crucial role in bringing the explosive nature into the system. For fixed ratios of the root-mean-square turbulent velocity fluctuation to the laminar flame speed and integral length scale to the laminar flame thickness, the flame surface wrinkling is comparable between the stoichiometric ammonia flame at MILD and non-MILD conditions. Furthermore, the hydrogen enrichment of the lean ammonia flame results in a significant increase in heat release rate due to the preferential diffusion effect. The study also examines chemical markers to identify heat-releasing regions of the flames and proposes the use of NH2 × O (on a mass fraction basis) as a suitable indicator of regions with high chemical activity and correlates well with the heat release for the MILD and non-MILD ammonia flames as well as ammonia-hydrogen flames at both laminar and turbulent conditions.

Direct numerical simulations of methane, ammonia-hydrogen and hydrogen turbulent premixed flames

Three turbulent premixed flames with the same unstretched laminar flame speeds and thicknesses are analyzed and compared using 3D Direct Numerical Simulation (DNS) in a slot burner configuration at atmospheric conditions: a CH4/air flame at ϕ=1, an NH3−H2/air (46% vol. H2) at ϕ=1 and an H2/air flame at ϕ=0.45.While both stoichiometric methane and ammonia-hydrogen flames behave similarly, the lean hydrogen flame brush is twice as short with less flame surface, and exhibits significant alteration of its local flame structure: for the H2 flame, the thickness of flamelets decreases significantly while burning rates increase drastically. This is observed for flame elements convexly curved with respect to fresh reactants (positive curvature) because of preferential diffusion, where thermo-diffusive instabilities generate long-tail structures that continuously head toward the fresh gases, and also for near-flat flame elements because of local strain effects. Opposite behaviors are observed for flame elements concavely curved (negative curvature) where fuel depletion caused by unfocusing of hydrogen and strain effects are unable to increase the consumption, even leading to near-extinction of the flame. The turbulent methane and ammonia-hydrogen flames studied in this work do not exhibit the instabilities seen in the pure hydrogen flame. However, local flame-flame interactions are observed in the cusp regions of all three flames, which significantly increase the displacement speed as well as flame surface destruction.A 1D-3D comparison indicates that strain effects in regions of low curvature and preferential diffusion effects in regions of positive curvature can be modeled using counterflow flamelets to account for stretch effects on the turbulent hydrogen flame propagation in addition to turbulent wrinkling.

Linear Stability of the Activation-Energy-Asymptotics Reactive-Layer Structure: I. Liñán’s Premixed-Flame Regime

ABSTRACT Overall linear instability characteristics of an asymptotically thin reactive layer in a flame are investigated, particularly for Liñán’s premixed-flame regime of activation-energy asymptotics. The reactive-layer instability analysis, formulated with the characteristic length and timescales of the inner reaction zone, is carried out not only by a numerical method but also by an asymptotic method, with the small expansion parameter obeying the distinguished limit of and , where , , and denote the downstream heat-loss factor, the Zel’dovich number, and the Lewis number, respectively. The asymptotic analysis yields an explicit dispersion relation, which is comprised of three distinct destabilizing or stabilizing contributions: (i) the reaction sensitivity associated with the downstream heat-loss effect, (ii) the reaction sensitivity associated with the preferential diffusion effect, and (iii) the diffusive relaxation. Three instability modes, namely cellular instability, planar instability, and pulsating instability, are found to be similar to the conventional diffusional-thermal instability. Consequently, the reactive-layer instability is seen to be good enough to serve as a general baseline for diffusional-thermal instability, despite lacking the detailed instability characterization in the proximity of , the corrections for which can be achieved by the conventional diffusional-thermal instability analysis within the NEF (nearly-equidiffusional flame) limit.

Prediction of flashback limits for laminar premixed hydrogen-air flames using flamelet generated manifolds

Development of models that can help predict flashback limits of premixed flames at an affordable computational cost is essential for the safe and efficient design of combustion chambers. For flames with strong preferential diffusion effects, usually the focus has been on the development of at least a three dimensional flamelet database that can predict the enthalpy and mixture fraction mapped on to the reaction progress variable. However, in this study, we show that a 3D FGM table is sufficient to predict flashback limits for lean laminar methane-air flames but is not sufficient to predict the same for lean hydrogen flames and an over-prediction of 100% could occur in the calculation of the flashback limits. We trace the root cause of this over-prediction to be related to the thickness of the reaction zone in the progress variable for hydrogen flames. This results in the development of a novel correction factor for the progress variable source term using 1D flame simulations where the flame experiences strong enthalpy gradients. In the end, we successfully show for the first time that the flashback limits for hydrogen flames can be predicted accurately using flamelet generated manifolds with a source term corrector function.

Hydrogen-enriched flames in a novel miniature double-layer disc-combustor with annular step and Swiss-roll preheated channel

A novel miniature double-layer disc-combustor with annular step and Swiss-roll preheated channel is developed for the first time, which can act as a heater or the miniature heat source for a miniature power source. The premixed flame dynamics of 80%H2-20%CH4-air are experimentally studied in this combustor. The results show that the flame blow-off limit increases first and then sharply decreases with the decreased value of Reynolds number Re. It is the first time to find the anomalous blow-off phenomenon in the radial channel. The analysis indicates that the decreases of flow recirculation effect, heat recirculation effect, and preferential diffusion effect lead to the decreased blow-off limit with the decreased Re value. The flames can remain stable in a wide operating range. At the large Re value, the flame diameter obviously increases with the decreased value of equivalence ratio ϕ, and the flame anchors right behind the annular step at the small ϕ value. At the small Re value, the flames all reside around the exit of Swiss-roll preheated channel, which results in the small flame diameters. The magnitude of the upper wall temperature decreases with the decreased ϕ value. At large ϕ values, the distribution characteristics of high temperature zone of the upper wall are similar, and the peak value of temperature appears at its center. At small ϕ values, the peak value and magnitude of wall temperature are both larger for a bigger Re value, and the location of peak value slightly shifts upstream with the decreased Re value. The upper wall temperature of the combustor can be expediently managed by adjusting the operating conditions. In addition, the mean temperature of the upper wall and heat transferred from the upper wall to the environment almost linearly decrease with the decreased Re value. The present study expands our insights into the flame dynamics in the radial channel.

Effects of water vapor addition on downstream interaction in CO/O2 counterflow premixed flames

The effects of H2O addition on downstream interaction in counterflow premixed CO/O2 flames are investigated by varying the global strain rate (ag) and CO mole fractions (XCO,L, XCO,U) in the lower and upper nozzles, respectively. For interacting premixed CO/O2 flames, the flammable region is very narrow such that the flames cannot be sustained for ag > 11.75 s−1. When 1.0% vol H2O is added to O2/CO2 mixtures, the flammable region is appreciably extended. At low strain rate, the lean-lean and rich-rich extinction boundaries show strong and weak interactions similar to those observed previously in hydrocarbon fuels. The flammable lean-lean and rich-rich regions gradually shrink with the increase of ag. When XCO,U is small for asymmetric lean double flames at low strain rate, the extinction boundary exhibits weak interaction behavior, where the weaker flame is parasitic to the stronger flame by XCO,L. The stronger flame experiences heat loss to the weaker flame. As the strain increases, the reaction cannot be completed due to the reduction in the flow time. The thermal energy loss by incomplete reaction leads to the flame extinction. This effect changes the qualitative nature of extinction boundary as strain rate increases, resulting in the extinction boundary having only the strong interaction mode having near constant (XCO,L + XCO,U) and bending toward larger XCO,L, and eventually forming an island shape at higher strain rate. The local equilibrium temperature (LET) concept is introduced to explain these flame extinction mechanisms. Local temperature behaviors are well explained by investigating major reaction contributions to heat release rate. In all cases, LET decreases by the effect of preferential diffusion because of the Lewis number of deficient reactant being larger than unity. For asymmetric double flames, conductive heat transfer (CHT) from the stronger to weaker flame reduces the LET of the stronger flame. Flame extinction mechanism can be explained by introducing a loss ratio. For CO/O2 flames, the effects of incomplete reaction as well as preferential diffusion and CHT lead to flame extinction. For (CO/O2 + 1.0% H2O) flames with the increase of strain rate, thermal energy loss by incomplete reaction becomes appreciable, as compared with the effects of preferential diffusion and CHT.

Minimum ignition energy of hydrogen-air mixtures at ambient and cryogenic temperatures

The ignition and combustion of hydrogen in air is considered more hazardous compared to other fuels due to the lower minimum ignition energy (MIE) and the wider flammability range. Spark discharge is the most common type of electrostatic ignition hazard. There is a need in validated safety engineering tools to accurately calculate MIE in a wide range of temperatures from atmospheric to cryogenic which are characteristic for hydrogen systems and infrastructure. Current MIE assessment methodologies rely on the availability of experimental data on quenching distance and/or laminar burning velocity and thus are mostly empirical correlations. This prevents their application beyond the limited number of experimental data, i.e. to arbitrary composition of the hydrogen-air mixture at arbitrary temperatures including cryogenic. This work aims at the development of a model able to accurately predict MIE for hydrogen-air mixtures with arbitrary initial composition and temperature. Cantera and Chemkin software are used to calculate the properties and unstretched laminar burning velocity of hydrogen-air mixtures. The flame thickness is found to well represent the critical flame kernel in the suggested model. The model is validated against experimental data on MIE for mixtures at ambient and cryogenic (down to 123 K) temperatures. Results show that the effect of flame stretch and preferential diffusion shall be considered to accurately predict MIE for lean hydrogen-air mixtures, which was not possible for previous models.

Novel effects of grain size and ion implantation on grain boundary segregation in ion irradiated austenitic steel

Nuclear reactor environments are extreme in nature due to the combination of exposure to corrosive coolant, mechanical stresses, and neutron irradiation damage. This combination of environments can lead to irradiation induced/assisted precipitation, segregation, and embrittlement coupled with enhanced creep and stress corrosion cracking. While nanostructured materials are of interest in a variety of applications due to their unique properties including high mechanical strength, for nuclear applications nanostructured materials have the added benefit of irradiation resistance due to the high volume density of sinks for irradiation-induced defects. In this study, we show unique radiation-induced segregation (RIS) behavior in nanocrystalline 304 stainless steel (SS304). Typical RIS in austenitic steels includes Ni enrichment and Cr depletion within the grain boundaries. In nanostructured SS304 this RIS is reduced. Furthermore, interestingly, some grain boundaries in the nanocrystalline SS304 in this study were found to be enriched in Cr after Fe2+ ion irradiation at 500 °C up to 50 displacements per atom (dpa). To understand this unique observation, lattice-based atomic kinetic Monte Carlo simulations were performed to investigate the effects of grain size, thermal segregation, as well as injected interstitials (introduced as Fe self-ions). The results indicate that the Cr enrichment at grain boundaries may be caused by combined effects of grain size, self-ion injection and preferential Cr diffusion via the interstitial mechanism. The findings also suggest a possible difference in RIS between ion and neutron irradiations.

LES flamelet modeling of hydrogen combustion considering preferential diffusion effect

A flamelet-generated manifold (FGM) method that explicitly considers the preferential diffusion effect, referred to as FGM-PD method, is employed for large-eddy simulations (LESs) of a lean-premixed H2/air low-swirl lifted flame, and the validity is examined by comparing with the experiment. First, the applicability of the FGM-PD method is investigated by one-dimensional numerical simulations of planar laminar premixed H2/air flames. Next, LESs of a lean-premixed H2/air low-swirl lifted flame are performed employing the FGM-PD and conventional FGM methods. Results of the one-dimensional numerical simulations show the importance of considering preferential diffusion to accurately predict species concentrations near the flame front. The FGM-PD method accurately predicts this, and therefore, reproduces the laminar burning velocity and spatial distributions of temperature and mixture fraction. Three-dimensional LES results confirm that the prediction accuracy of the velocities near the flame front is improved by employing this FGM-PD method. Additionally, the OH mass fraction distribution predicted by the FGM-PD method exhibits the inhomogeneous finger-like structure, which has been observed in previous experiments. This inhomogeneity of OH mass fraction distribution, which corresponds to that of the reaction rate, predicted by the FGM-PD method, strongly affects the flame front structure.

Analysis of Lewis number effects on dynamic response of laminar premixed flames

The dynamic response of premixed flames with different fuel Lewis numbers is crucial to understand for the design of safe combustion chambers with wide operating range. Due to preferential diffusion effects associated with fuel Lewis number for lean mixtures, a premixed flame responds differently to flame stretch. These responses could manifest in the flame’s response to small perturbations. In order to investigate this effect, in this study, lean premixed hydrogen, methane and propane flames at the same adiabatic unstretched flame speed are studied using numerical simulations. Steady unperturbed flames show significant differences in flame stand-off distances, flame height, flame stabilization limits, burner temperature and recirculation zone length. Flames are perturbed using a step function excitation and noticeable changes in the gain and phase of the flame transfer function are found even when the flame burning velocity and the inlet flow speed are kept the same. Maximum gain of the response is found to increase with the mixture Lewis number and is shown to be directly dependent on the flame tip burning strong or weak. Phase difference at low frequencies is found to depend on the average of the time scales of the recirculation vortex which in turn depends on the flame burning stronger or weaker under the influence of positive stretch at the flame base, axial convective wave and perturbation travelling along the flame front. Time for the flame to settle to a new position after the step excitation is found to correlate well with the sum of time scales of vortex, flame tangential speed and flame tip speed. Overall, it is found that hydrogen flame responds the fastest to the perturbations and exhibits smaller increase in gain compared to methane and propane.