DNS Of the ignition process of n-heptane/air premixed combustion with low-temperature chemistry in turbulent boundary layer

In the present work, three-dimensional direct numerical simulation (DNS) of $n$-heptane/air premixed combustion in turbulent boundary layer was performed to explore the near-wall ignition process with low-temperature chemistry. A reduced chemical mechanism with 58 species and 387 elementary reactions for $n$-heptane combustion was used in the DNS. The general characteristics of the ignition process near the wall were examined. It was found that low-temperature ignition (LTI) dominates the upstream region, and high-temperature ignition (HTI) appears in the downstream region. The ignition process and the low-temperature chemistry pathways of the DNS are compared with those of a corresponding laminar case. It was found that the ignition process was affected by turbulence, which results in thickened reaction zones. However, the carbon flow analysis of low-temperature chemistry showed that turbulence rarely affects the low-temperature chemistry pathway. The combustion modes of various regions were scrutinized based on the budget terms of species transport equations and the chemical explosion mode analysis (CEMA). It was shown that the reaction term of ${\text{RO}}_2$ is significant during the LTI process of the upstream region, and the reaction terms of ${\text{CH}}_2\mathrm{O}$ and ${\text{CO}}_2$ are evident in the downstream region, indicating the occurrence of HTI. It was also shown that auto-ignition is dominant in the upstream region. With increasing streamwise distance, the contribution of flame propagation increases, which takes over that of auto-ignition in the near-wall region.     

Understanding the effect of inhomogeneous fuel–air mixing on knocking characteristics of various ethanol reference fuels with RON 100 using rapid compression machine

We investigated the effect of inhomogeneous mixing of a fuel–air mixture in a spark-ignition engine on knocking characteristics and the dependency of the effect on the fuel, especially for various ethanol reference fuels with a fixed RON of 100. We assumed that a locally lean spot and rich spots exist in the end gas owing to inhomogeneous mixing and calculated their thermodynamic states with a multizone spark-ignition engine simulation. Subsequently, the ignition delay around the state was measured using a rapid compression machine at varying temperatures and equivalence ratios. The obtained results were processed to calculate ξ, which is the ratio of sound speed to auto-ignition propagation speed, and $?$, defined as the time required for acoustic front to exit the hot spot divided by the excitation time. Then, we analyzed the knocking occurrence and intensity from the locally lean spot and rich spots based on Zel'dovich and Bradley's ξ–$?$ theory. Our results show that the lean spot has a shorter ignition delay than the stoichiometric mixture (ξ?>?0) regardless of the ethanol content, whereas the rich spot does not (ξ?<?0), implying that only the lean spot can initiate knocking. This is because the temperature of the lean spot is higher than the surrounding mixture owing to its higher specific heat ratio and less charge cooling effect. In addition, the knocking intensity from the lean spot is found to be maximized with ERF0, showing the largest ${\xi }^{?2}$ value. Further analysis was conducted by dividing ξ into the effect of the temperature gradient, ξ_T, and that of the equivalence ratio gradient, ξ_?. Consequently, we found that the magnitude of ξ_T is related to the activation energy of the fuel, while that of ξ_? is determined by the dependency of the pre-heat release characteristics of the fuel on the equivalence ratio.     

Modeling the non-Arrhenius ignition behavior of 2‐butanol: A detailed theoretical and experimental study

2-butanol is a promising alternative to fossil fuels for which production pathways are already established and which was proven to be suitable for usage within modern internal combustion engines. It is a potential octane booster for gasoline fuels, can be used in diesel engines to reduce soot production, and is applicable as a stand-alone fuel. In the present study, the previously not discussed non-Arrhenius ignition behavior of 2-butanol was revealed by recalculating and adjusting the thermodynamic properties of the fuel and its most important radicals. All relevant fuel consumption reaction rate coefficients were replaced by a consistent set of analogies without any further modifications of the rate parameters. The existing spectrum of validation targets for 2-butanol was extended by new high-pressure Rapid Compression Machine (RCM) experiments for end-of-compression pressures of $p_{eoc}$ =  20, 30, 40, and 50 bar with high resolution of temperature to highlight the non-Arrhenius ignition behavior and to study the model performance in more detail. The kinetic model proposed in the present study can reproduce the observed non-Arrhenius behavior within the RCM regime. Kinetic analysis demonstrated that simulated Ignition Delay Times (IDTs) are very sensitive to the equilibria of the $\stackrel{.}{\text{R}}$ + ${\text{O}}_2$ reactions for all 2-hydroxybutyl radicals. With the newly determined thermodynamic properties, the equilibria of the $\stackrel{.}{\text{R}}$ + ${\text{O}}_2$ reactions are moved towards lower temperatures, enabling low-temperature chain branching. The shift of the equilibrium from the R${\stackrel{.}{\text{O}}}_2$ side to $\stackrel{.}{\text{R}}$ + ${\text{O}}_2$ within the temperature regime covered by the RCM experiments could be identified as the main reason for the observed non-Arrhenius behavior.     

An extended flamelet/progress variable model for coal/biomass co-firing flame

Coal/biomass co-firing (CBCF) is regarded as one of the sustainable alternatives to reduce emissions from the utilization of fossil fuels. It features complex reacting stages and fuel streams caused by the asynchronous reaction behaviors of coal and biomass particles, which cannot be represented well by the traditional two-mixture-fractions (2Z) coal flamelet/progress variable (FPV) model. To address this issue, we developed an extended FPV model for the CBCF flame in the present study. Firstly, a three-dimensional (3D) point-particle direct numerical simulation (PP-DNS) was conducted to explore the combustion characteristics of the co-firing flame and served as a reference for the model development. Secondly, an extended FPV model was developed by introducing an extra parameter to distinguish the volatiles sources, and the model performance was evaluated by the $a$ $priori$ study as well as comparison with those of the traditional coal-/bio- 2Z-FPV models. The results showed that there were three reacting stages with four fuel streams in the CBCF flame, and their corresponding flame behaviors were obviously different from each other as demonstrated in both the one-dimensional flamelets and 3D PP-DNS solutions. The $a$ $priori$ results showed that the coal-/bio- 2Z-FPV models would give large deviations in the predictions of gas temperature and major species due to the lack of distinguishing the volatiles sources. In contrast, the extended FPV model could well reproduce the flame behaviors (both temperature and species profiles) for different reacting stages with complex fuel streams in the CBCF flame. This validated the extended FPV model and demonstrated its superiority against the traditional 2Z-FPV models.     

Motion and swelling of single coal particles during volatile combustion in a laminar flow reactor

Motion and swelling behavior of single bituminous coal particles during volatile combustion are investigated in a laminar flow reactor using a joint experimental and numerical approach. Three different particle samples with mean diameters of 90, 120, and 160 µm are studied in a conventional N${}_2$/O${}_2$ atmosphere with 20 vol% O${}_2$ mole fraction. Diffuse backlight-illumination (DBI) measurements with high temporal (10 kHz) and spatial ($>$ 19 lp/mm) resolutions, combined with detailed parameter evaluation methods, provide fundamental insights into interactions of particle with flow and flame. The acceleration behavior of different particles is assessed based on the response time following the viscosity drag law. Rotation speed is determined by temporally tracking the orientation angle and shown to strongly correlate with the particle size and the devolatilization process. Simultaneously measured slip velocity and particle diameter enable evaluating time-dependent particle Reynolds numbers $R{e}_{\mathrm{p}}$. The swelling behavior is temporally synchronized with the devolatilization process and reveals a strong dependency on particle diameters. To better understand experimental observations, detailed simulations are first quantitatively validated against experimental ignition delay times and then applied to predict particle temperature histories. Further, the reduction of particle heating rates with increasing diameters is numerically quantified. The maximum swelling ratio decreases from 1.22 to 1.07 as the heating rate increases from approximately 3 $\times$ 10${}^4$ to 8 $\times$ 10${}^4$ K/s.     

Reference natural gas flames at nominally autoignitive engine-relevant conditions

Laminar natural gas flames are investigated at engine-relevant thermochemical conditions where the ignition delay time τ is short due to very high ambient temperatures and pressures. At these conditions, it is not possible to measure or calculate well-defined values for the laminar flame speed s_l, laminar flame thickness δ_l, and laminar flame time scale ${\tau }_l={\delta }_l/s_l$ due to the explosive thermochemical state. Here, the corresponding reference values, s_R, δ_R, and ${\tau }_R={\delta }_R/s_R,$ that account for the effects of autoignition, are numerically estimated to investigate the enhancement of flame propagation, and the competition with autoignition that arises under nominally autoignitive conditions (characterised here by the number τ/τ_R). Large values of τ/τ_R indicate that autoignition is unimportant, values near or below unity indicate that flame propagation is not possible, and intermediate values indicate that a combination of both flame propagation and autoignition may be important, depending upon factors such as device geometry, turbulence, stratification, et cetera. The reference quantities are presented for a wide range of temperatures, equivalence ratios, pressures, and hydrogen concentrations, which includes conditions relevant to stationary gas turbine reheat burners and boosted spark ignition engines. It is demonstrated that the transition from flame propagation to autoignition is only dependent on residence time, when the results are non-dimensionalised by the reference values. The temporal evolution of the reference values are also reported for a modelled boosted SI engine. It is shown that the nominally autoignitive conditions enhance flame propagation, which may be an ameliorating factor for the onset of engine knock. The calculations are performed using a recently-developed, detailed 177 species mechanism for C0–C3 chemistry that is derived from theoretical chemistry and is suitable for a wide range of thermochemical conditions as it is not tuned or optimised for a particular operating condition.     

Combustion properties of H2/N2/O2/steam mixtures

The present work reports new experimental and numerical results of the combustion properties of hydrogen based mixtures diluted by nitrogen and steam. Spherical expanding flames have been studied in a spherical bomb over a large domain of equivalence ratios, initial temperatures and dilutions at an initial pressure of 100 kPa (T_ini = 296, 363, 413 K; N₂/O₂ = 3.76, 5.67, 9; %Steam = 0, 20, 30). From these experiments, the laminar flame speed $S_L^0$, the Markstein length L’, the activation energy Ea and the Zel'dovich β number have been determined. These parameters were also simulated using COSILAB^® in order to verify the validity of the Mével et al. [1] detailed kinetic mechanism. Other parameters as the laminar flame thickness δ and the effective Lewis number Le_eff were also simulated. These new results aim at providing an extended database that will be very useful in the hydrogen combustion hazard assessment for nuclear reactor power plant new design.     

Simultaneous 36 kHz PLIF/chemiluminescence imaging of fuel,CH2O and combustion in a PPC engine

The requirements on high efficiency and low emissions of internal combustion engines (ICEs) raise the research focus on advanced combustion concepts, e.g., premixed-charge compression ignition (PCCI), partially premixed compression ignition (PPCI), reactivity controlled compression ignition (RCCI), partially premixed combustion (PPC), gasoline compression ignition (GCI) etc. In the present study, an optically accessible engine is operated in PPC mode, featuring compression ignition of a diluted, stratified charge of gasoline-like fuel injected directly into the cylinder. A high-speed, high-power burst-mode laser system in combination with a high-speed CMOS camera is employed for diagnostics of the autoignition process which is critical for the combustion phasing and efficiency of the engine. To the authors’ best knowledge, this work demonstrates for the first time the application of the burst-system for simultaneous fuel tracer planar laser induced fluorescence (PLIF) and chemiluminescence imaging in an optical engine, at 36?kHz repetition rate. In addition, high-speed formaldehyde PLIF and chemiluminescence imaging are employed for investigation of autoignition events with a high temporal resolution (5 frames/CAD). The development of autoignition together with fuel or CH₂O distribution are simultaneously visualized using a large number of consecutive images. Prior to the onset of combustion the majority of both fuel and CH₂O are located in the recirculation zone, where the first autoignition also occurs. The ability to record, in excess of 100 PLIF images, in a single cycle brings unique possibilities to follow the in-cylinder processes without the averaging effects caused by cycle-to-cycle variations.     

Experimental characterization of spark ignited ammonia combustion under elevated oxygen concentrations

Due to its nature as a carbon free fuel and carrying hydrogen energy ammonia has received a lot of attention recently to be used as an alternative to fossil fuel in gas turbine and internal combustion engines. However, several barriers such as long ignition delay, slow flame speed, and low reactivity need to be overcome before its practical applications in engines. One potential approach to improve the ignition can be achieved by using oxygen enriched combustion. In this study, oxygen-enriched combustion of ammonia is tested in a constant volume combustion chamber to understand its combustion characteristics like flame velocity and heat release rates. With the help of high speed Schlieren imaging, an ammonia-oxygen flame is studied inside the combustion chamber. The influence of a wide range of oxygen concentrations from 15 to 40% are tested along with equivalence ratios ranging from 0.9 to 1.15. Ammonia when ignited at an oxygen concentration of 40% with an equivalence ratio of $\varphi =$ 1.1 at 10 bar has a maximum flame velocity of 112.7 cm/s. Reduced oxygen concentration also negatively affects the flame velocity, introducing instabilities and causing the flame to develop asymmetrically due to buoyancy effects inside the combustion chamber. Heat release rate (HRR) curves show that increasing the oxygen concentration from 21 to 35% of the mixture can help reduce the ignition delays. Peak HRR data shows increased sensitivity to air fuel ratios with increased oxygen concentrations in the ambient gas. HRR also shows an overall positive dependence on the oxygen concentration in the ambient gas.     

Ignition condition for degenerate plasma in magneto-inertial fusion

The present paper investigated the effect of radiation loss on the ignition temperature for the fuel pellet $(D/T_x{/}^{3}H{e}_y)$simulated in a degenerate plasma. The behavior of these plasmas was predicted by the energy equations that were different from the classical ones, and this was the main factor in decreasing the ignition temperature of the plasma. Therefore, the required ignition condition for fusion was described. For this condition, a hybrid of elements from the traditional Magnetic and Inertial Fusion concepts together with degenerated plasma were considered. Results suggested that a high-density low-temperature plasma can be obtained during the compression phase in an inertial confinement fusion system. Also, the plasma electrons can degenerate using the fast ignition approach when the plasma is of high density and low temperature.     

TBOR-shaped electro-optic modulator with dual output based on double-layer graphene

We proposed an electro-optic modulator with two-bus one-ring (TBOR) structure to improve the extinction ratio and reduce insert loss. It has a dual output compared with one-bus one-ring structure. In addition, double-layer graphene makes it possible for the modulation in the visible to mid-infrared wavelength range. It shows that this new electro-optic modulator can present two switching states well with low insertion loss, high absorption and high extinction ratio. At $\lambda =1550\text{ nm}$, when the switching states are based on the chemical potential, ${\mu }_{\mathrm{c}}=0.38\text{ eV}$ and ${\mu }_{\mathrm{c}}=0.4\text{ eV}$, the insertion losses of both output ports are less than 2 dB, the absorption of the output port coupled via a micro-ring reaches 45 dB and the extinction ratio reaches 14 dB. When the refractive index of the dielectric material is 4.2, the applied voltage will be less than 1.2 V, thus can be used in low-voltage CMOS technology.     

Impact of non-ideal transport modeling on supercritical flow simulation

The simulation of a supercritical fluid flow requires sophisticated models for real gas thermodynamic and non-ideal phenomena. They both are presently addressed through the simulation of a non-reacting and reacting high pressure H₂/O₂ splitter-plate configuration. In particular, the diffusion velocity of species is evaluated through the gradient of chemical potential (${\mathbf{d}}_l^{\text{NI}}=X_l{\left(?{\mu }_l\right)}_T$) expressed with the Peng–Robinson equation of state, or with the classical low-pressure approach ${\mathbf{d}}_l^{\mathrm{I}}=?X_l,$ which only uses the gradient of the lth species molar fraction, X_l. In addition, the high pressure binary diffusion coefficients are estimated by the correction of Kurochkin et al. or with the Takahashi approach. The results for the non-reaction case are consistent with the literature for mean and rms values using ${\mathbf{d}}_l^{\mathrm{I}}$. The use of ${\mathbf{d}}_l^{\text{NI}}$ has a limited impact but the temperature profiles become steeper. In the reactive case, the two approaches lead to a difference of 50 K on the average temperature just downstream of the injector and about 100 K further downstream. A non-ideal transport is then required for the modeling of supercritical flow simulation.     

Ignition by moving hot spheres in H2-O2-N2 environments

A combined experimental and numerical study was carried out to investigate thermal ignition by millimeter size ($d=6$ mm) moving hot spheres in H₂-O₂-N₂ environments over a range of equivalence ratios. The mixtures investigated were diluted with N₂ to keep their laminar flame speed constant and comparable to the sphere fall velocity (2.4 m/s) at time of contact with the reactive mixture. The ignition thresholds (and confidence intervals) were found by applying a logistic regression to the data and were observed to increase from lean ($\Phi =0.39$; T_sphere = 963 K) to rich ($\Phi =1.35$; T_sphere = 1007 K) conditions. Experimental temperature fields of the gas surrounding the hot sphere during an ignition event were, for the first time, extracted using interferometry and compared against simulated fields. Numerical predictions of the ignition thresholds were within 2% of the experimental values and captured the experimentally observed increasing trend between lean and rich conditions. The effect of stoichiometry and dilution on the observed variation in ignition threshold was explained using 0-D constant pressure delay time computations.     

Ignition delay measurements of four component model gasolines exploring the impacts of biofuels and aromatics

This study explores the impacts of combinations of biofuel (ethanol, isobutanol and 2-methyl furan) and aromatic (toluene) compounds in a four component fuel blend, at fixed research octane number (RON) on ignition delay measured in an advanced fuel ignition delay analyzer (AFIDA 2805). Ignition delay measurements were performed over a range of temperatures from 400 to 725 °C (673 to 998 K) and two chamber pressures of 10 and 20 bar. The four component mixtures are compared to primary reference fuels at RON values of 90 and 100. The ignition delay measurements show that as the aromatic and biofuel concentrations increased, two stage ignition behavior was suppressed, at both initial chamber pressures. But both RON 100 (isooctane) and RON 90 reference fuels showed two stage ignition behavior, as did fuel mixtures with low biofuel and aromatic content. RON 90 fuels showed stronger two stage ignition behavior than RON 100 fuels, as expected. Depending on the type of biofuel in the mixture, the ignition delay at low chamber temperatures could be far greater than for the reference fuels. In particular, for the RON 100 mixtures at either 10 or 20 bar initial chamber pressure, the ignition delay at 400 °C (673 K) for the high level blend of 2-methyl furan and toluene (30 vol% of each) exhibited an ignition delay that was 10 times longer than for neat isooctane. The results show the strong non-linear octane blending response of these three biofuel compounds, especially in concert with the kinetic antagonism that toluene is known to display in mixtures with isooctane. These results have implications for the formulation of biofuel mixtures for spark ignition and advanced compression ignition engines, where this non-linear octane blending response could be exploited to improve knock resistance, or modulate the autoignition process.