Flame acceleration and transition from deflagration to detonation in hydrogen explosions

Computational Fluid Dynamics solvers are developed for explosion modelling and hazards analysis in Hydrogen air mixtures. The work is presented in two parts. These include firstly a numerical approach to simulate flame acceleration and deflagration to detonation transition (DDT) in hydrogen–air mixture and the second part presents comparisons between two approaches to detonation modelling. The detonation models are coded and the predictions in identical scenarios are compared. The DDT model which is presented here solves fully compressible, multidimensional, transient, reactive Navier–Stokes equations with a chemical reaction mechanism for different stages of flame propagation and acceleration from a laminar flame to a highly turbulent flame and subsequent transition from deflagration to detonation. The model has been used to simulate flame acceleration (FA) and DDT in a 2-D symmetric rectangular channel with 0.04 m height and 1 m length which is filled with obstacles. Comparison has been made between the predictions using a 21-step detailed chemistry as well as a single step reaction mechanism. The effect of initial temperature on the run-up distances to DDT has also been investigated.     

Flame acceleration and DDT of hydrogen-oxygen gaseous mixtures in channels with no-slip walls

Hydrogen-oxygen flame acceleration and transition from deflagration to detonation (DDT) in channels with no-slip walls were studied theoretically and using high resolution simulations of 2D reactive Navier-Stokes equations, including the effects of viscosity, thermal conduction, molecular diffusion, real equation of state and a detailed chemical reaction mechanism. It is shown that in “wide” channels (D > 1 mm) there are three distinctive stages of the combustion wave propagation: the initial short stage of exponential acceleration; the second stage of slower flame acceleration; the third stage of the actual transition to detonation. In a thin channel (D < 1 mm) the flame exponential acceleration is not bounded till the transition to detonation. While velocity of the steady detonation waves formed in wider channels (10, 5, 3, 2 mm) is close to the Chapman-Jouguet velocity, the oscillating detonation waves with velocities slightly below the CJ velocity are formed in thinner channels (D < 1.0 mm). We analyse applicability of the gradient mechanism of detonation ignition for a detailed chemical reaction model to be a mechanism of the deflagration-to-detonation transition. The results of high resolution simulations are fully consistent with experimental observations of flame acceleration and DDT in hydrogen-oxygen gaseous mixtures.     

Hydrogen–oxygen flame acceleration and deflagration-to-detonation transition in three-dimensional rectangular channels with no-slip walls

Hydrogen–oxygen flame acceleration and the transition from deflagration to detonation (DDT) in channels with no-slip walls are studied using high resolution simulations of 3D reactive Navier–Stokes equations, including the effects of viscosity, thermal conduction, molecular diffusion, real equation of state and detailed (reduced) chemical reaction mechanism. The acceleration of the flame propagating from the closed end of a channel, which is a key factor for understanding of the mechanism of DDT, is thoroughly studied. The three dimensional modeling of the flame acceleration and DDT in a semi-closed rectangular channel with cross section 10 × 10 mm and length 250 mm confirms validity of the mechanism of deflagration-to-detonation transition, which was proposed earlier theoretically and verified using 2D simulations. We show that 3D model contrary to 2D models allows to understand clearly the meaning of schlieren photos obtained in experimental studies. The “numerical schlieren” and “numerical shadowgraph” obtained using 3D calculations clarify the meaning of the experimental schlieren and shadow photos and some earlier misinterpretations of experimental data.     

Effect of fluidic obstacles on flame acceleration and DDT process in a hydrogen-air mixture

Using solid obstacles to accelerate the deflagration to detonation transition (DDT) process induces additional thrust loss, and fluidic obstacles can alleviate this problem to a certain extent. A detailed simulation is conducted to investigate the effects of multiple groups of fluidic obstacles on the flame acceleration and DDT process under different initial velocities and gas types. The results show that, initially, the propagation of reflected shock wave formed by jet impingement is opposite to the flame acceleration direction, thus increasing the initial jet velocity will hinder the flame acceleration. Later, the vortex structure and enhanced turbulence can promote flame acceleration. As the flame accelerates, the virtual blockage ratio of the fluidic obstacles decreases, and increasing initial jet velocity or using reactive jet gases both affect the virtual blockage ratio. Further, increasing initial jet velocity or using reactive jet gases can shorten the detonation initiation time and distance. Compared with solid obstacles, it is concluded that fluidic obstacles can achieve faster detonation initiation with a smaller blockage ratio. Overall, the detonation phenomena in this study are all triggered by hot spots formed by the interaction between reflected waves and distorted flame, but the formation of reflected waves varies.     

Numerical study of hydrogen–oxygen flame acceleration and deflagration to detonation transition in combustion light gas gun

A large eddy model with detailed chemical reaction mechanism is developed to investigate the interior ballistic process of the combustion light gas gun (CLGG). Flame acceleration and deflagration to detonation transition process with high initial pressure and low initial temperature hydrogen–oxygen mixture in CLGG is numerically studied. Simulation results indicate that the hydrogen–oxygen flame propagation experiences an exponential acceleration stage, a nearly uniform propagation stage and a fast reacceleration stage. Detonation can be triggered through two different mechanisms, which are the amplification between the overlapped shock wave at flame surface, and the elevated flame velocity and shock strength caused by local explosions. Reflected shock waves play an important role in the suppression of the flame propagation when the flame front is close to the chamber throat, leading to a deceleration of the deflagration flame.     

管内爆燃转爆轰的热力学原理

本文首先说明了燃烧的两种传播机制，一种是燃烧自身的蔓延，国一种是由运动速度比火焰传播速度快的点火源引导而形成的传播，进而指出了可能存在的两种不稳定燃烧状态和两种极端物理过程的爆轰波，一种不稳定燃烧状态由爆燃加速到超过临界速度而致，另一种不稳定燃烧状态则由激波诱导燃烧引起，并采用简化理论计算了燃烧产物的压力和熵增随燃烧度的变化规律。由此出发，本文试图从热力学角度说明管内火中速及爆燃转爆轰的原理。爆燃     

Flame acceleration in channels with obstacles in the deflagration-to-detonation transition

It was demonstrated recently in Bychkov et al. [Bychkov et al., Phys. Rev. Lett. 101 (2008) 164501], that the physical mechanism of flame acceleration in channels with obstacles is qualitatively different from the classical Shelkin mechanism. The new mechanism is much stronger, and is independent of the Reynolds number. The present study provides details of the theory and numerical modeling of the flame acceleration. It is shown theoretically and computationally that flame acceleration progresses noticeably faster in the axisymmetric cylindrical geometry as compared to the planar one, and that the acceleration rate reduces with increasing Mach number and thereby the gas compressibility. Furthermore, the velocity of the accelerating flame saturates to a constant value that is supersonic with respect to the wall. The saturation state can be correlated to the Chapman-Jouguet deflagration as well as the fast flames observed in experiments. The possibility of transition from deflagration-to-detonation in the obstructed channels is demonstrated.     

The flame propagation characteristics and detonation parameters of ammonia/oxygen in a large-scale horizontal tube: As a carbon-free fuel and hydrogen-energy carrier

As a carbon-free fuel and a hydrogen-energy carrier, ammonia is a potential candidate for future energy utilization. Therefore, in order to promote the application of ammonia in detonation engines and to evaluate the safety of ammonia related industrial process, DDT experiments for ammonia/oxygen mixtures with different ERs were carried out in a large-scale horizontal tube. Moreover, pressure transducers and self-developed temperature sensors were applied to record the overpressure and the instantaneous flame temperature during DDT process. The results show that the DDT process in ammonia/oxygen mixtures contains four stages: Slow propagation stage, Flame and pressure wave acceleration stage, Fast propagation and detonation wave formation stage, Detonation wave self-sustained propagation stage. For stoichiometric ammonia/oxygen mixtures, flame front and the leading shock wave propagate one after another with different velocity, until they closely coupled and propagated together with one steady velocity. At the same time, it is found that an interesting retonation wave propagates backward. The peak overpressure, detonation velocity, and flame temperature of the self-sustained detonation are 2 MPa, 2000 m/s and 3500 K, respectively. With the ER increased from 0.6 to 1.6, the detonation velocities and peak overpressures ranged from 2310 m/s to 2480 m/s and 25.6 bar–28.7 bar, respectively. In addition, the detonation parameters of ammonia were compared with those of methane and hydrogen to evaluate the detonation performance and destructiveness of ammonia.     

Transition to detonation in a hydrogen-air mixtures due to shock wave focusing in the 90 - deg corner

This work presents experimental observation of the ignition modes due to shock wave focusing in a 90 - deg corner in a mixture of 20%–55% H₂ in air with the main purpose of recognizing critical conditions for transition to detonation. The results showed three ignition modes, first ‘weak’ ignition followed by deflagration with ignition delay time higher than ∼1 μs, second ‘strong’ with instantaneous transition to detonation, and third with deflagrative ignition and delayed transition to detonation. The transition was observed only when specific shock wave velocity was reached. The transition velocity for stoichiometric mixture was approx. 715 m/s corresponding to M = 1.75 and 71% of speed of sound in products. For leaner or richer mixtures, the transition velocity increased approaching the speed of sound in products at approx. 18% and 58% H₂.     

Influence of longitudinal obstacle spacing on the deflagration-to-detonation transition through a bank of obstacles in a hydrogen-air mixture

Flame acceleration and deflagration-to-detonation transition (DDT) in a channel containing an array of staggered cylindrical obstacles and a stoichiometric hydrogen-air mixture were studied by solving the fully-compressible reactive Navier-Stokes equations using a high-order numerical algorithm and adaptive mesh refinement. Four different longitudinal spacings (ls) of the neighboring obstacle rows (i.e., ls = 15.28, 19.1, 25.4, and 38.2 mm, corresponding to 1.2, 1.5, 2 and 3 times of obstacle diameter, respectively) were used to examine the effect of obstacle spacing on flame acceleration and DDT. The results show that the main mechanisms of flame acceleration and transition to detonation in all the cases studied are consistent. While the flame acceleration is caused by the growth of flame surface area in the initial stage, it is governed by shock-flame interactions in the later stage when shock waves are generated. The focusing of strong shocks at flame front is responsible for the initiation of detonation. It was found that the flame propagation speed and the DDT run-up distance and time are highly dependent on ls. Specifically, the flame acceleration declines as ls increases, since a larger ls leads to less disturbance of flow by obstacles per unit channel length. For detonation initiation, both the run-up distance and time increase with the increase of ls. It is interesting to note that the DDT distance and time increase significantly as ls increases from 19.1 mm to 25.4 mm. This is related to the slowdown of the increase rate of energy release over a period before DDT occurs under large ls condition, because every time the flame passes over an obstacle row the shock-flame interaction is delayed and numerous isolated pockets of unburned gas material are formed.     

High speed turbulent deflagrations and transition to detonation in H2air mixtures

An experimental investigation on flame acceleration and transition to detonation in H₂air mixtures has been carried out in a tube which had a 5 cm cross-sectional diameter and was 11 m long. Obstacles in the form of a spiral coil (6 mm diameter tubing, pitch 5 cm, blockage ratio BR = 0.44) and repeated orifice plates spaced 5 cm apart with blockage ratios of BR = 0.44 and 0.6 were used. The obstacle section was 3 m long. The compositional range of H₂ in air extended from 10 to 45%, the initial pressure of the experiment was 1 atm, and the mixture was at room temperature. The results indicate that steady-state flame (or detonation) speeds are attained over a flame travel of 10–40 tube diameters. For H₂ ? 13% maximum flame speeds are subsonic, typically below 200 m/s. A sharp transition occurs at about 13% H₂ when the flame speed reaches supersonic values. A second transition to the so-called quasi-detonation regime occurs near the stoichiometric composition when the flame speed reaches a critical value of the order of 800 m/s. The maximum value of the averaged pressure is found to be between the normal C-J detonation pressure and the constant volume explosion value. Of particular interest is the observation that at a critical composition of about 17% H₂ transition to normal C-J detonation occurs when the flame exits into the smooth obstacle-free portion of the tube. For compositions below 17% H₂, the high speed turbulent deflagration is observed to decay in this portion of the tube. The detonation cell size for 17% H₂ is about 150 mm and corresponds closely to the value of πD that has been proposed to designate the onset of single-head spinning detonation, in this case for the 5 cm diameter tube used. This supports the limit criterion, namely, that for confined detonations in tubes, the onset of single-head spin gives the limiting composition for stable propagation of a detonation wave.     

Fast turbulent deflagration and DDT of hydrogen–air mixtures in small obstructed channel

An experimental study of flame propagation, acceleration and transition to detonation in hydrogen–air mixture in 2-m long rectangular cross-section channel filled with obstacles located at the bottom wall was performed. The initial conditions of the hydrogen–air mixture were 0.1 MPa and 293 K. Three different cases of obstacle height (blockage ratio 0.25, 0.5 and 0.75) and four cases of obstacle density were studied with the channel height equal to 0.08 m. The channel width was 0.11 m in all experiments. The propagation of flame and pressure waves was monitored by four pressure transducers and four in-house ion probes. The pairs of transducers and probes were placed at various locations along the channel in order to get information about the progress of the phenomena along the channel. To examine the influence of mixture composition on flame propagation and DDT, the experiments were performed for the compositions of 20%, 25% and 29.6% of H₂ in air by volume. As a result of the experiments the deflagration and detonation regimes and velocities of flame propagation in the obstructed channel were determined.     

Numerical study on transition of hydrogen/air flame triggered by auto-ignition under effect of pressure wave in an enclosed space

End gas auto-ignition and transition of flame front are considered as the main causes of severe pressure oscillation in spark-ignition engines, which is one of the major features of knock and super-knock. The knowledge of characteristics of auto-ignition, flame front development, propagation of pressure wave and relations between them, still needs to be maintained. In this study, flame front transition induced by pressure wave and auto-ignition are investigated using one-dimensional simulation with detailed chemistry in an enclosed space Calculation cases with different initial thermodynamic conditions are investigated. Mass fraction of OH is employed as indicator of auto-ignition progress under variable conditions caused by pressure wave. Different propagation modes of flame front, including subsonic deflagration, detonation and supersonic deflagration, are developed under the effects of both pressure wave and auto-ignition. Results show that mass fraction of OH could successfully reflect auto-ignition progress, thus indicating occurrence and sequence of auto-ignition at different locations. Transitions from deflagration to detonation and detonation to supersonic deflagration are found to be triggered by sequential auto-ignition with different gradient of auto-ignition progress ahead of flame front induced by pressure wave.     

Effect of solid obstacle distribution on flame acceleration and DDT in obstructed channels filled with hydrogen-air mixture

Ensuring hydrogen safety has become of great significance nowadays, whose leakage can possible result in the deflagration to detonation (DDT). The numerical study aims to explore the effect of solid obstacle distribution on the DDT in a homogeneous hydrogen-air mixture. Results show that the detonation initiation process can be classified into two types: i) local spherical detonation caused by the coupling of flame surface and high-pressure region; ii) detonation triggered by the interaction between the upper wall and multiple compression waves in front of the flame. Also, this study finds that the flame acceleration (FA) experiences two periodic “acceleration-deceleration” processes before the detonation initiation, and the initiation distance and time are the shortest when the obstacles are symmetrically distributed. Further, the higher the unilateral blockage ratio, the more unfavorable DDT occurs. The present results highlight the effect of different solid obstacle distribution patterns on the FA and DDT process.     

Experimental and numerical investigation of DDT in hydrogen–Air behind a single obstacle

Two-dimensional numerical simulations of deflagration-to-detonation transition (DDT) in hydrogen–air mixtures are presented and compared with experiments. The investigated geometry was a 3 m long square channel. One end was closed and had a single obstacle placed 1 m from the end, and the other end was open to the atmosphere. The mixture was ignited at the closed end. Experiments and simulations showed that DDT occurred within 1 m behind the obstacle. The onset of detonation followed a series of local explosions occurring far behind the leading edge of the flame in a layer of unburned reactants between the flame and the walls. A local explosion was also seen in the experiments, and the pressure records indicated that there may have been more. Furthermore, local explosions were observed in the experiments and simulations which did not detonate. The explosions should have sufficient strength and should explode in a layer of sufficient height to result in a detonation.     

Studies in the transition from deflagration to detonation in granular explosives—I. Experimental arrangement and behavior of explosives which fail to exhibit detonation

The purpose of this paper is to describe apparatus and instrumentation whereby the sequence of events in confined burning of explosives can be followed. These events are pressure buildups, formation of a convective flame front, formation of a detonation front, or a pressure rupture of the confining tube. Furthermore, although a convective front has been observed in every reported case of transition from deflagration to detonation in granular explosives, we find that it also occurs (at about the same driving pressures and traveling at about the same velocity) in explosives unable to exhibit a transition in this apparatus. Data are presented from the confined burning of ammonium picrate at several compactions and of 95/5 TNT/Wax. Burning these relatively shock-insensitive explosives produces a mild pressurization of the confining tube which leads, after a period of instability, to the formation of a convective flame front and, eventually to tube rupture. The rapid pressure buildup necessary for a transition to detonation is absent. Confined burning of explosives which do exhibit transition is described in a companion paper.     

Hydrogen flame propagation inside an obstructed chamber

Hydrogen is recognized as a most dangerous gas due to high ignition rate and flame speed. In this work, numerical simulations have been performed to simulate the flow pattern and flame deflagration of hydrogen gas inside a confined chamber with different obstacles. This study tries to disclose the transient progress of flame to define the key actual factors affecting flow feature and flame propagation. In order to simulate hydrogen flame deflagration the limited obstacle channel, a three-dimensional model is established and large eddy simulation (LES) method is applied for the simulation of the model. The impacts of obstacle geometry on the pressure distribution are carefully examined. Obtained results show that overpressure inside the confined channel significantly increase within 0.3–0.6 ms. In this work, comprehensive reliable correlation for prediction of the pressure inside the confined channel is present. Our findings clearly demonstrates that velocity-density coefficient plays significant role the pressure distribution inside the model.     

负温度梯度对预混气体反应波传播模态的影响

基于一维数值模拟研究了负温度梯度对氢气/空气混合气反应波传播模态的影响,重点论述燃烧模态的转变机理.研究表明:当反应波沿着负温度梯度传播时,可以观测到超声速爆燃向爆震、爆震向亚声速爆燃的转变;其中,超声速爆燃传播过程由顺序自燃控制;当其传播速度低于当地Chapman-Jouguet爆震速度时,会发生超声速爆燃向爆震的转变.此外,在低温区域也观测到了爆震向亚声速爆燃的转变.Zel’dovich(ZND)结构和RankineHugoniot曲线表明,诱导激波后混合气反应活性对维持爆震传播具有重要作用.     

Hydrogen-air deflagrations in open atmosphere: Large eddy simulation analysis of experimental data

The largest known experiment on hydrogen-air deflagration in the open atmosphere has been analysed by means of the large eddy simulation (LES). The combustion model is based on the progress variable equation to simulate a premixed flame front propagation and the gradient method to decouple the physical combustion rate from numerical peculiarities. The hydrodynamic instability has been partially resolved by LES and unresolved effects have been modelled by Yakhot's turbulent premixed combustion model. The main contributor to high flame propagation velocity is the additional turbulence generated by the flame front itself. It has been modelled based on the maximum flame wrinkling factor predicted by Karlovitz et al. theory and the transitional distance reported by Gostintsev with colleagues. Simulations are in a good agreement with experimental data on flame propagation dynamics, flame shape, and outgoing pressure wave peaks and structure. The model is built from the first principles and no adjustable parameters were applied to get agreement with the experiment.