LES – DFSD modelling of vented hydrogen explosions in a small-scale combustion chamber

Accidental explosions are a plausible danger to the chemical process industries. In the event of a gas explosion, any obstacles placed within the path of the flame generate turbulence, which accelerates the transient flame and raises explosion overpressure, posing a safety hazard. This paper presents numerical studies using an in-house computational fluid dynamics (CFD) model for lean premixed hydrogen/air flame propagations with an equivalence ratio of 0.7. A laboratory-scale combustion chamber is used with repeated solid obstacles. The transient compressible large eddy simulation (LES) modelling technique combined with a dynamic flame surface density (DFSD) combustion model is used to carry out the numerical simulations in three-dimensional space. The study presented uses eight different baffle configurations with two solid obstructions, which have area blockage ratios of 0.24 and 0.5. The flame speed, maximum rate of pressure-rise as well as peak overpressure magnitude and timing are presented and discussed. Numerical results are validated against available published experimental data. It is concluded that, increasing the solid obstacle area blockage ratio and the number of consecutive baffles results in a raised maximum rate of pressure rise, higher peak explosion overpressure and faster flame propagation. Future model development would require more experimental data, probably in a more congested configuration.     

湍流模型和壁面函数对有障碍半开口空间氢气燃烧模拟的影响

为了进一步验证有障碍半开口空间内氢气燃烧数值模拟的准确性，使用对比验证的方法对FLUENT软件湍流模型和壁面函数数值模拟结果的准确性进行了研究。研究结果表明:可实现k-ε湍流模型和非平衡壁面函数使燃烧压力和火焰形状与实验结果相比偏差较大，RNG k-ε湍流模型和可伸缩壁面函数可更准确地预测燃烧压力变化及火焰传播行为。     

Numerical study on the spontaneous ignition of pressurized hydrogen release through a tube into air

Spontaneous ignition of pressurized hydrogen release through a tube into air is investigated using a modified version of the KIVA-3V CFD code. A mixture-averaged multi-component approach is used for accurate calculation of molecular transport. Autoignition and combustion chemistry is accounted for using a 21 step kinetic scheme. Ultra fine meshes are employed along with the Arbitrary Lagrangia–Eulerian (ALE) method to reduce false numerical diffusion. The study has demonstrated a possible mechanism for spontaneous ignition through molecular diffusion.

In the simulated scenario, the tube provided additional time to achieve a combustible mixture at the hydrogen–air contact surface. When the tube was sufficiently long under certain release pressure, autoignition would initiate inside the tube at the contact surface due to mass and energy exchange between low temperature hydrogen and shock-heated air through molecular diffusion. Following further development of the hydrogen jet downstream, the contact surface became distorted. Turbulence plays an important role for hydrogen/air mixing in the immediate vicinity of this distorted contact surface and led the initial laminar flame to transit into a stable turbulent flame.     

Large eddy simulation of methane–air deflagration in an obstructed chamber using different combustion models

In this paper, simulations of methane–air deflagration inside a semi-confined chamber with three solid obstacles have been carried out with large eddy simulation (LES) technique. Three sub-grid scale (SGS) combustion models, including power-law flame wrinkling model by Charlette et al., turbulent flame speed closure (TFC) model, and eddy dissipation model (EDM), are applied. All numerical results have been compared to literature experimental data. It is found that the power-law flame wrinkling model by Charlette et al. is able to better predict the generated pressure and other flame features, such as flame structure, position, speed and acceleration against measured data. Based on the power-law flame wrinkling model, the flame–vortex interaction during the deflagration progress is also investigated. The results obtained have demonstrated that higher turbulence levels, induced by obstacles, wrinkle the flame and then increase its surface area, the burning rates and the flame speed.     

Collision of convex objects for calculation of porous mesh in gas explosion simulation

We investigate the coupling of the flamelet combustion model with the collision distance algorithm based on Minkowski addition. The collision algorithm is coded to calculate the porosity of the geometry based on the PDR (Porosity Distributed Resistance) approach for modelling of complex geometries. The turbulent field generated by the interaction of the flow with the porous objects is used to calculate the wrinkling length scale of the flame via the fluctuating velocities. The turbulent fluxes are amended in accordance with assigned porosities at the cell faces. The combustion and porosity models are implemented in the framework of an in house Fortran code that solves the full set of Navier-Stokes equations. The code was named STOKES - Shock Towards Kinetic Explosion Simulator). Results are presented for non-reacting flows and reacting flows over different geometries. Numerical findings are compared with standard commercial CFD tools.     

Effect of ignition position on vented hydrogen–air deflagration in a 1 m3 vessel

This study investigates the effect of the ignition position on vented hydrogen-air deflagration in a 1 m³ vessel and evaluates the performance of the commercial computational fluid dynamics (CFD) code FLACS in simulating the vented explosion of hydrogen-air mixtures. First, the differences in the measured pressure-time histories for various ignition locations are presented, and the mechanisms responsible for the generation of different pressure peaks are explained, along with the flame behavior. Secondly, the CFD software FLACS is assessed against the experimental data. The characteristic phenomena of vented explosion are observed for hydrogen-air mixtures ignited at different ignition positions, such as Helmholtz oscillation for front ignition, the interaction between external explosion and combustion inside the vessel for central ignition, and the wall effect for back-wall ignition. Flame-acoustic interaction are observed in all cases, particularly in those of front ignition and very lean hydrogen-air mixtures. The predicted flame behavior agree well with the experimental data in general while the simulated maximum overpressures are larger than the experimental values by a factor of 1.5–2, which is conservative then would lead to a safe design of explosion panels for instance. Not only the flame development during the deflagration was well-simulated for the different ignition locations, but also the correspondence between the pressure transients and flame behavior was also accurately calculated. The comparison of the predicted results with the experimental data shows the performance of FLACS to model vented mixtures of hydrogen with air ignited in a lab scale vessel. However, the experimental scale is often smaller than that used in practical scenarios, such as hydrogen refueling installations. Thus, future large-scale experiments are necessary to assess the performance of FLACS in practical use.     

Numerical simulation of flame propagation and localized preflame autoignition in enclosures

A novel computational approach based on the coupled 3D Flame-Tracking–Particle (FTP) method is used for numerical simulation of confined explosions caused by preflame autoignition. The Flame-Tracking (FT) technique implies continuous tracing of the mean flame surface and application of the laminar/turbulent flame velocity concepts. The Particle method is based on the joint velocity–scalar probability density function approach for simulating reactive mixture autoignition in the preflame zone. The coupled algorithm is supplemented with the database of tabulated laminar flame velocities as well as with reaction rates of hydrocarbon fuel oxidation in wide ranges of initial temperature, pressure, and equivalence ratio. The main advantage of the FTP method is that it covers both possible modes of premixed combustion, namely, frontal and volumetric. As examples, combustion of premixed hydrogen–air, propane–air, and n-heptane–air mixtures in enclosures of different geometry is considered. At certain conditions, volumetric hot spots ahead of the propagating flame are identified. These hot spots transform to localized exothermic centers giving birth to spontaneous ignition waves traversing the preflame zone at very high apparent velocities, i.e., nearly homogeneous preflame explosion occurs. The abrupt pressure rise results in the formation of shock waves producing high overpressure peaks after reflections from enclosure walls.     

Solution adaptive CFD simulation of premixed flame propagation over various solid obstructions

This paper presents the results of a number of calculations carried out in order to simulate combustion past obstacles of different shape and blockage ratio. The obstacle shapes considered are circles, squares, triangles and flat plates. Two-dimensional simulations are carried out with the McNEWT code. The code solves the reacting flow field with a laminar flamelet model on an unstructured mesh. Adaptive mesh refinement is applied so that the flame front is accompanied by mesh refinement throughout the calculation domain. A transition from laminar to turbulent combustion induced by passage past the obstacle is seen in the simulations. Evidence for the transition is found in the change in flame shape, flame speed and pressure. The simulations are compared with experimental data and there is good agreement between experiment and simulation.     

泄爆口参数对氢气火焰传播过程影响的数值模拟*

为了减少管内气体爆炸造成的损失与破坏,基于大涡模拟LES模型和Zimont燃烧模型,研究泄爆尺寸(直径为40,60,80 mm)和泄爆位置(侧方距点火端1,3,5 m)等泄爆条件对受限空间中氢气燃爆特性的影响。研究结果表明:大孔径泄爆口更好的排放效果造成火焰锋面在通过泄爆口时发生严重畸变,而泄爆口与点火端距离的增加则会削弱火焰锋面畸变的程度,且不同尺寸泄爆口产生的泄压效果差异较大。因此,应考虑将合适尺寸的泄爆口设置于靠近易燃点处。通过探索不同泄爆孔径与泄爆口位置对氢气火焰传播的影响规律,可为实际应用中的安全泄爆起到指导性作用。     

Computational modeling of vapor cloud explosions in off-shore rigs using a flame-speed based combustion model

Computational modeling is a useful tool in determining the consequences from vapor cloud explosions. Here an approach that uses a flame-speed based combustion model is evaluated. Various scenarios of explosions in full-scale off-shore modules are simulated and compared to available test data. The ignition location of the cloud and available venting paths are found to affect the overpressure field in and outside the module. For end ignition cases, the combustion of gas pushed out of the module is found to play a key role. Using the flame-speed based model with appropriate effective flame speeds is found to provide accurate simulations.     

The hazards and risks of hydrogen

An analysis was completed of the hazards and risks of hydrogen, compared to the traditional fuel sources of gasoline and natural gas (methane). The study was based entirely on the physical properties of these fuels, and not on any process used to store and extract the energy. The study was motivated by the increased interest in hydrogen as a fuel source for automobiles.The results show that, for flammability hazards, hydrogen has an increased flammability range, a lower ignition energy and a higher deflagration index. For both gasoline and natural gas (methane) the heat of combustion is higher (on a mole basis). Thus, hydrogen has a somewhat higher flammability hazard.The risk is based on probability and consequence. The probability of a fire or explosion is based on the flammability range, the auto-ignition temperature and the minimum ignition energy. In this case, hydrogen has a larger flammability zone and a lower minimum ignition energy—thus the probability of a fire or explosion is higher. The consequence of a fire or explosion is based on the heat of combustion, the maximum pressure during combustion, and the deflagration index. Hydrogen has an increased consequence due to the large value of the deflagration index while gasoline and natural gas (methane) have a higher heat of combustion. Thus, based on physical properties alone, hydrogen poses an increase risk, primarily due to the increased probability of ignition.This study was unable to assess the effects of the increased buoyancy of hydrogen—which might change the probability depending on the actual physical situation.A complete hazard and risk analysis must be completed once the actual equipment for hydrogen storage and energy extraction is specified. This paper discusses the required procedure.     

有障碍物半开口管道内氢气燃烧数值模拟研究

基于有障碍物氢气燃烧实验装置进行数值模拟研究,采用Fluent软件分析了半开口管道内障碍物对氢气/空气燃烧特性的影响。结果表明:障碍物会促进实验管段内氢气火焰加速,随着障碍物阻塞率和数量的增加,火焰加速更快且燃烧压力峰值更大;在相同阻塞率下,障碍物形状对氢气火焰速度和燃烧压力峰值的影响很小;燃烧压力随障碍物间距的增大先增大后减小,障碍物间距为3倍管道内径时产生的燃烧压力峰值最大。     

The nature and large eddy simulation of coherent deflagrations in a vented enclosure-atmosphere system

The nature of coherent deflagration phenomena in a vented enclosure-atmosphere system is analysed. The study is based on experimental observations of SOLVEX programme in the empty 547-m³ vented enclosure and consequent analysis of the same test by large eddy simulations (LES). A comparison between simulated and experimental pressure transients and dynamics of flame front propagation inside and outside the enclosure gave an insight into the nature of the complex simultaneous interactions between flow, turbulence and combustion inside the enclosure and in the atmosphere. It is revealed through LES processing of experimental data that the substantial intensification of premixed combustion occurs only outside the empty SOLVEX enclosure and this leads to steep coherent pressure rise in both internal and external deflagrations. The external explosion does not affect burning rate inside the enclosure. There is only one ad hoc parameter in the LES model, which is used to account for unresolved subgrid scale increase of flame surface density outside the enclosure. The model allows reaching an excellent match between theory and experiment for coherent deflagrations in the empty SOLVEX facility. The mechanism of combustion intensification in the atmosphere is discussed and the quantitative estimation of the model ad hoc parameter is given.     

中庭火灾烟气流动数值模拟

根据中庭火灾特点 提出了考虑辐射换热损失和壁面传热损失、不考虑燃烧过程、视火焰为体积热源,浮升力作用下火灾烟气湍流流动的场模型,并将辐射换热损失计人壁面传热损失,简化辐射换热模型计算,运用该场模型对中庭模型实验装置火灾烟气流动进行了数值模拟,采用通用软件PHOENICS进行数值计算,研究表明,数值模拟结果与中庭模型实验装置火灾试验结果吻合;以热源模拟火焰的方法对分析中庭火灾烟流发展规律可行。     

Flame propagation behaviors of nano- and micro-scale PMMA dust explosions

Flame propagation behaviors of nano- and micro-polymethyl methacrylate (PMMA) dust explosions were experimentally studied in the open-space dust explosion apparatus. High-speed photography with normal and microscopic lenses were used to record the particle combustion behaviors and flame microstructures. Simple physical models were developed to explore the flame propagation mechanisms. High-speed photographs showed two distinct flame propagation behaviors of nano- and micro-PMMA dust explosions. For nano-particles, flame was characterized by a regular spherical shape and spatially continuous combustion structure combined with a number of luminous spot flames. The flame propagation mechanism was similar to that of a premixed gas flame coupled with solid surface combustion of the agglomerates. In comparison, for micro-particles, flame was characterized by clusters of flames and the irregular flame front, which was inferred to be composed of the diffusion flame accompanying the local premixed flame. It was indicated that smaller particles maintained the leading part of the propagating flame and governed the combustion process of PMMA dust clouds. Increasing the mass densities from 105 g/m³ to 217 g/m³ for 100 nm PMMA particles, and from 72 g/m³ to 170 g/m³ for 30 μm PMMA particles, the flame luminous intensity, scale and the average propagation velocity were enhanced. Besides, the flame front became more irregular for 30 μm PMMA dust clouds.     

Flame propagation through aluminum particle cloud in a combustion tube

The propagation of a flame is investigated experimentally and theoretically for a large, horizontal combustion tube containing a mixture of air and aluminum powder with pre-existing turbulence. One end of the tube is closed and the other is connected to a large dump-tank. Twenty dispersion systems are used on the tube to produce a uniform suspension of aluminum dust in the tube with a mean diameter of 6 μm. The characteristics of a flame front from the ignitors at the closed end are measured using photodiodes and the development of pressure is monitored by transducers. Experimental results revealed the entire process of an accelerating flame and the development of shock waves. A set of conservation equations for two-phase turbulent combustion flow is derived, using the two-fluid model, k–ε model, Hinze–Tchen model and EBU-Arrhenius model for turbulent combustion. The SIMPLE scheme usually applied to the homogeneous turbulent combustion is extended to fit this two-phase, reactive behavior. The results of calculations show the positive feedback coupling among combustion, expansion and turbulence during flame propagation. Computed and measured results are generally in good agreement.     

Thermal radiation from vapour cloud explosions

The current study estimates the radiation flux emitted from hot extended gas clouds characteristic of vapour cloud explosions along with the corresponding level of irradiance posed on particles suspended in the unburnt part of the cloud ahead of an advancing flame front. The data presented permits an assessment of the plausibility of combustion initiation by such particles due to forward thermal radiation. The thermal radiation will depend on the emissivity of the burned volume, which relates to the concentration of gaseous and particulate combustion products. A sensitivity analysis has been carried out to account for variations in the equivalence ratio, mixture pressure and radiative heat losses. The spatial distribution of irradiance ahead of the flame front has been computed by introducing appropriate geometrical factors to explore the impact of cloud size. Using fuel rich ethylene-air mixtures it has been shown that high flame emissivities can be achieved at path lengths of order 1 m even in the presence of very low soot volume fractions. The emissivity of gas-soot mixtures will hence be mainly determined by the soot concentration and to a lesser extent by the mixture temperature. Our analysis suggests that the role of forward thermal radiation as a contributing factor to flame propagation in large scale vapour cloud explosions can not currently be ruled out.