An alternative CFD tool for gas dispersion modelling of heavy gas

The numerical simulation of gas dispersion is of great importance in various areas of engineering such as optimisation, synthesis of chemical process, petroleum industry and process safety. The OpenFOAM (Open Field Operation and Manipulation) code is a free and open source computational fluid dynamics (CFD) program. The current research is focused on the development and customisation of a computational tool for handling gas dispersion of heavy gases, such a LNG and CO₂. The novel CFD tool relies on OpenFOAM framework. The core of the work is based on the OpenFOAM solver rhoReactingBuoyantFoam to handle gas dispersion. A series of CFD simulations has been performed for methane and CO₂. The source term of the former is modelled by HSM (Hybrid Switch Model). The model comprises contribution from HEM (Homogeneous Equilibrium Model) approach, frozen model and non-equilibrium model for CO₂ leak. The novel approach switches between equilibrium and non-equilibrium conditions based on the meta-stable parameter on the grounds of thermodynamics and experimental observations. Good agreement with experimental data is observed. Numerical findings for methane leakage from the proposed CFD tool are compared with experimental data and FLACS. Good agreement is observed.     

Release and dispersion behaviour of carbon dioxide released from a small-scale underground pipeline

The development of carbon capture and storage (CCS) brings challenges for safety issues regarding carbon dioxide (CO₂) transmission pipelines. Once a pipeline is punctured or full-bore ruptured, the leaked CO₂ is hazardous to personnel and the environment. Small-scale devices were established with the aim of studying the release and dispersion behaviour of gas and liquid CO₂ from a punctured underground pipeline. A sandbox was built to simulate the underground conditions. The parameters of the sand used in the experiments were tested. CO₂ concentrations on the ground and temperatures around the release orifice in the sand were analysed. The results indicate that in the CO₂ gas release experiments, the CO₂ concentration on the sand surface decreases with increasing horizontal distance in the form of a power function. CO₂ concentrations in upward release are slightly larger than those in horizontal release at the same location but are obviously bigger than values in downward release. The temperature-drop region is much smaller than that in air. A frozen ice ball can be generated near the release orifice during the gas phase of the CO₂-release process. In the liquid phase of CO₂-release experiments, a large amount of dry ice is generated near the release orifice. Dry ice can only be generated in the area close to the release orifice, especially in the near-field area.     

基于实验与仿真的三维水下气体泄漏预测与安全评估研究

水下气体羽流特性是海底气体泄漏风险评估的重要基础。为准确预测水下气体羽流行为，基于计算流体动力学(CFD)方法，建立1种考虑气体卷吸湍流特性的三维水下气体羽流数值预测模型；采用欧拉-欧拉流体体积模型捕捉气液作用界面，以大涡模拟(LES)方式预测羽流上浮及卷吸过程中的湍流特性，从而实现对水下气体羽流行为的预测；搭建小尺度实验平台，对比仿真与实验条件下的气体羽流形态，验证数值模型的可行性及预测精度；应用建立的数值模型对工程条件下的水下气体泄漏事故进行预测和评估，以某浅层气井喷事故为例，评估水下气体羽流上浮时间、海面影响范围和涌流高度。结果表明:基于欧拉多相流与大涡模拟的数值模型对水下气体羽流预测结果与实验具有较好的吻合度，该模型能够较好捕捉羽流的湍流特性，可为水下气体泄漏羽流行为评估提供参考。     

Simulation study on near-field structure and flow characteristics of high-pressure CO2 released from the pipeline

The accidental release of high-pressure carbon dioxide (CO₂) can cause serious damages to both humans and pipeline equipment. Therefore, it is of great significance to have a deeper understanding about the release characteristics of high-pressure CO₂ for improving the safety level of Carbon Capture and Storage (CCS) technologies. Both industrial-scale and laboratory-scale studies have been carried out to predict the release behaviors. In recent years, computational fluid dynamics (CFD) simulation has become a crucial method to study the instantaneous changes and microscopic details of the fluid behaviors. In this paper, the simulation method was employed to study the near-field structure and flow characteristics of high-pressure CO₂ released from pipelines. The Peng-Robinson Equation of State (EOS) was used to compute the thermodynamic properties of high-pressure CO₂, and SST k-ω model was applied to simulate the structure and physical parameters of the under-expanded jet. In addition, the multi-phase mixture model was introduced to study the phase transition. The non-equilibrium liquid/vapor transition is modeled by introducing ‘source terms’ for mass transfer and latent heat. Compared to the experimental results, the simulation results showed good agreement. Furthermore, the influences of operating conditions, including different stagnation pressure, stagnation temperature, and nozzle size, were analyzed.     

Experimental Study of the Interation Between the Water Mists and PVC Fire

Effect of water mist on the small-scale solid fuel polyvinyl chloride (PVC) fire in the confined space has been studied experimentally with the heat release rate measured by a cone calorimeter in this paper.The water mist is generated by a single pressure nozzle and the diffusion flame is produced from PVC samples respectively. The LDV/APV system is employed to determine the water mist characteristics. The Cone Calorimeter is used to measure the heat release rate, oxygen and carbon monoxide concentrations and other important parameters of the interaction under various conditions.The results of the test showed that heat extraction cooling (flame cooling and fuel surface cooling) plays a dominating role to suppress the PVC fire, when the water mist with enough volume flux are applied to the diffusion flame in the confined space. The higher the operation pressure, the easier the suppression. The faster the PVC fire suppressed by water mist with large enough water flux, the less the total amount of toxic gases (CO, CO₂) produced.     

Evaluation of multi-phase atmospheric dispersion models for application to Carbon Capture and Storage

A dispersion model validation study is presented for atmospheric releases of dense-phase carbon dioxide (CO₂). Predictions from an integral model and two different Computational Fluid Dynamics (CFD) models are compared to data from field-scale experiments conducted by INERIS, as part of the EU-funded CO₂PipeHaz project.The experiments studied consist of a 2 m³ vessel fitted with a short pipe, from which CO₂ was discharged into the atmosphere through either a 6 mm or 25 mm diameter orifice. Comparisons are made to measured temperatures and concentrations in the multi-phase CO₂ jets.The integral dispersion model tested is DNV Phast and the two CFD models are ANSYS-CFX and a research and development version of FLACS, both of which adopt a Lagrangian particle-tracking approach to simulate the sublimating solid CO₂ particles in the jet. Source conditions for the CFD models are taken from a sophisticated near-field CFD model developed by the University of Leeds that simulates the multi-phase, compressible flow in the expansion region of the CO₂ jet, close to the orifice.Overall, the predicted concentrations from the various models are found to be in reasonable agreement with the measurements, but generally in poorer agreement than has been reported previously for similar dispersion models in other dense-phase CO₂ release experiments. The ANSYS-CFX model is shown to be sensitive to the way in which the source conditions are prescribed, while FLACS shows some sensitivity to the solid CO₂ particle size. Difficulties in interpreting the results from one of the tests, which featured some time-varying phenomena, are also discussed.The study provides useful insight into the coupling of near- and far-field dispersion models, and the strengths and weaknesses of different modelling approaches. These findings contribute to the assessment of potential hazards presented by Carbon Capture and Storage (CCS) infrastructure.     

受限空间近壁烟羽流准稳态温度场的实验研究

本文研究了受限空间近壁烟羽流的准稳态温度场。实验结果表明水平横截面上的温度分布近似于高斯分布,最高温度与到火源的距离之间的关系近似于非受限烟羽流中二者之间的关系,但两个系数不同。本实验得到c=7.3,n=-1.62。实验中还发现,当烟羽流的葛拉晓夫数Gr<2×10~(-7)时,烟羽流处于不稳定状态,同时给出了处于不稳定状态时的温度分布。     

Study on the deflagration reaction process of oil gas in long-narrow confined space based on PLIF and flame spectra

Oil gas explosion in long-narrow confined space is a typical unsteady combustion process. To study the reaction process, two experiment techniques are adopted in this research. One is planner laser induced fluorescence, which is used to achieve the transient measurement of free radicals in unsteady premixed combustion field. The other one is the spectral testing technique, which is used to measure the luminescence spectrum characteristics of oil gas combustion flame. The distribution of OH radical and CH radical at different positions in the combustion field, the common partition of deflagration flame structure under different oil gas concentrations, and the main luminescence spectra of radicals such as OH, CH, C₂, C₃, CO₂, H₂O and HCO are obtained. By comparing the above three aspects, the combustion reaction process of premixed mixture is revealed, driven by the coupling effect of chemical reaction and fluid flow in the process of explosion propagation. The process can be described briefly as follows. In the “outer flame zone”, large hydrocarbon molecules are mainly transformed to small molecules and free radicals by means of pyrolysis, dehydrogenation and oxidation. In the “inner flame zone”, carbon particles and combustion products produced and gathered after relevant reactions.     

A new methodology to estimate the gas ascending time from underwater gas releases

Accidental subsea gas releases can pose a threat to people, equipment, and facilities since gas can be toxic or flammable at the concentrations in which the leak occurs. The accurate prediction of the behavior of the gas plume formed in the leaks can be fundamental to the development of techniques of accident prevention or, in some cases, remediation measures, avoiding the emergence of more serious consequences. Among the different ways to analyze the behavior of gas plumes formed underwater, the Computational Fluid Dynamics (CFD) tool stands out for allowing the study of plume behavior to be done in a safer, simpler, and less expensive way, if compared to experimental studies. Inspired by the accidental release of the subsea gas scenario, this work validated a CFD setup of a 2D two-phase air–water flow using the VOF method in Ansys Fluent. The use of the VOF method differs this work from other works that use a hybrid Eulerian–Lagrangian methodology to model such types of flow. In this validation, simulations with a 9 m base tank, and 7 m water depth, and 0.050, 0.100, and 0.450 m${}^3$/s gas flow were performed. The simulated data were compared to experimental results available in literature. After the validation of the setup, a study was carried out varying the size of the leak to 0.24 and 0.17 m, and the gas flow from 0.006 to 0.150 m${}^3$/s aiming to verify how some plume characteristics are affected by the changes. Finally, following the directions from literature for analyzing the ascending gas behavior, and combining it with a dimensional analysis of the data, we proposed a mathematical model for calculating the gas ascending time using only properties of the gas leak. With future modifications of the proposed methodology, we hope that soon it will be possible to simulate gas releases under more realistic conditions. Even so, the findings of this work are already a significant step forward in the study of underwater gas releases.     

密闭空间燃气泄漏爆炸危险区域迁移规律

为了给室内燃气泄漏爆炸事故的预防和事故后果评价提供理论依据,借助计算流体力学技术,对密闭空间内燃气泄漏扩散的非稳态流场进行了数值模拟,着重考察了燃气爆炸危险区域随时间和空间的分布特征。研究结果表明,在泄漏初始阶段,爆炸危险区域位于泄漏源上部。随着泄漏和扩散的持续发展,爆炸危险区域整体下移,最终迁移至地面附近。爆炸危险区域范围随时间由小变大,再由大变小。爆炸危险区域在房间下部的持续时间明显长于房间中上部。     

Impact of leakage location and downwind storage tank on the gas dispersion in a typical chemical tank storage area

Toxic gas leakage in a tank area can have catastrophic consequences. Storage tank leakage location (particularly for high leakage) and downwind storage tanks potentially influence gas diffusion in tank areas. In this study, we developed a numerical and experimental method to investigate the impact of a high leakage location and downwind storage tank on gas diffusion based on three (1.05H, 0.90H, and 0.77H, H was the tank height, 22m) leakage field experiments on the leeward side of storage tank, which have been not conducted before. The experiments revealed an unexpected phenomenon: the maximum ground concentration first decreased and then increased with increasing leakage height. The simulations illustrated that the differences in micrometeorological conditions caused the maximum ground concentration of gas emitted from the roof to be higher than that emitted from the tank wall near the storage tank height. The downwind storage tank 1) had little influence on the entire diffusion direction but altered the local diffusion pattern; 2) reduced the maximum ground concentration (∼18.7%) and the distance from the emission source (approximately a storage tank diameter); and 3) had strong influences on the concentration, velocity, turbulence, and pressure on the leeward side. The concentration negatively correlated with the velocity, pressure, and turbulence in the middle of the two storage tanks on wind centerline. Our results can improve understanding of gas dispersion in tank areas and provide references for mitigating loss and protecting lives during emergency response processes.     

重烟羽扩散的风洞模拟实验研究

介绍利用风洞研究重气烟羽扩散特征以及围墙和树对其影响.实验使用的源是地面上的圆形面源.通过实验,提出了基于"变形源"假设的重气烟羽扩散物理过程;发现围墙在低Froude数下对重气烟羽有阻挡作用,而树对重气没有阻挡作用,但对"变形源"的形状有影响;从对危险气体的防护角度看,对测量范围的围墙外,围墙的防护效果明显,而围墙外加树与否影响不大.     

Accounting for the effect of concentration fluctuations on toxic load for gaseous releases of carbon dioxide

In Great Britain, advice on land-use planning decisions in the vicinity of major hazard sites and pipelines is provided to Local Planning Authorities by the Health and Safety Executive (HSE), based on quantified risk assessments of the risks to the public in the event of an accidental release. For potential exposures to toxic substances, the hazard and risk is estimated by HSE on the basis of a “toxic load”. For carbon dioxide (CO₂), this is calculated from the time-integral of the gas concentration to the power eight. As a consequence of this highly non-linear dependence of the toxic load on the concentration, turbulent concentration fluctuations that occur naturally in jets or plumes of CO₂ may have a significant effect on the calculated hazard ranges. Most dispersion models used for QRA only provide estimates of the time- or ensemble-averaged concentrations. If only mean concentrations are used to calculate the toxic load, and the effects of concentration fluctuations are ignored, there is a danger that toxic loads and hence hazard ranges will be significantly under-estimated.This paper explores a simple and pragmatic modification to the calculation procedure for CO₂ toxic load calculations. It involves the assumption that the concentration fluctuates by a factor of two with a prescribed square-wave variation over time. To assess the validity of this methodology, two simple characteristic flows are analysed: the free jet and the dense plume (or gravity current). In the former case, an empirical model is used to show that the factor-of-two approach provides conservative estimates of the hazard range. In the latter case, a survey of the literature indicates that there is at present insufficient information to come to any definite conclusions.Recommendations are provided for future work to investigate the concentration fluctuation behaviour in dense CO₂ plumes. This includes further analysis of existing dense gas dispersion data, measurements of concentration fluctuations in ongoing large-scale CO₂ release experiments, and numerical simulations.     

基于稳定风场的埋地天然气管道泄漏数值模拟

针对目前城镇埋地管道天然气泄漏研究模拟工况简单、可信性较低等问题,考虑障碍物对环境风场的影响,利用计算流体力学（CFD）软件建立天然气管道三维泄漏模型,将模拟过程分为环境风场的稳态模拟和管道泄漏扩散的瞬态模拟两步,分析天然气泄漏扩散规律。结果表明:在风场稳态模拟中,建筑物附近风场受干扰明显,上游形成小范围的低速滞留区,下游形成较长的尾迹。在天然气泄漏扩散瞬态模拟中,土壤层天然气受风速影响较小,气体在近地面及贴近建筑物侧积聚,扩散范围随时间逐渐趋于稳定,泄漏扩散达到稳定后表现出土壤层积聚、气云沉降、贴近建筑物积聚、气云扩散局限性的特征。风速主要影响天然气的扩散高度,对水平方向的扩散范围影响较小,风速与天然气扩散高度成反比。     

Experimental study on the suppression of gas explosion using the gas–solid suppressant of CO2/ABC powder

Gas explosion is the leading accident in underground coal mining in China. Using the self-improved 20 L spherical experimental system, the impacts of 8% CO₂, ABC powder at various concentrations and mixture of them on the suppression of mine gas explosion were investigated. The results indicate that cooperative synergism exists between ABC powder and CO₂. Their combination has a better effect than each of the two components acting alone, especially for the gas of larger concentration. When 0.25 g/L ABC powder was mixed with 8% CO₂, the explosion limits were reduced by about 55%, the time to reach the peak explosion pressure was prolonged 3.56 times on average. Meanwhile, the maximum explosion pressure declined on an average of 59.4% and the maximum explosion overpressure rising rate decreased on an average of 91.1%. A combination of 0.20 g/L ABC powder and 8% CO₂ completely suppressed 11% gas explosion. The explosion suppression mechanism of CO₂ and ABC powder were probed theoretically. CO₂ plays a key part in the whole explosion processes, and it can effectively suppress the forward reaction between gas and oxygen. While it is during the middle-later period of explosion processes that ABC powder plays a critical role. The particles decomposed from heated ABC powder such as nitrogen and phosphor will react with free radicals rapidly. Besides, atoms as N, P are capable of participating in chain reaction and reacting with active groups, significantly suppressing the gas explosion.     

Thermodynamic method for the prediction of solid CO2 formation from multicomponent mixtures

The increase in GHG concentration has a direct effect on global climate conditions. Among the possible technologies to mitigate GHG emissions, CCS is being accepted to gain emission reduction. Such technology also involves cryogenic CO₂ capture processes based on CO₂ freeze-out or where the formation of solid CO₂ must be avoided. Captured CO₂ is usually transported in pipelines for the reinjection.The risk associated to the release of CO₂ is due to the changing temperatures and pressures the system may experience, which can lead to the deposition of solid CO₂ where it must be avoided. Prolonged exposure to dry ice can cause severe skin damage and its resublimation could pose a danger of hypercapnia. It is, thus, necessary to build up a tool able to predict the conditions in which CO₂ can freeze-out.A thermodynamic methodology based on cubic EoSs has been developed which is able to predict solid–liquid–vapor equilibrium of CO₂ mixtures with n-alkanes or H₂S which are usually found in equipment for acidic gas, mainly natural gas, treatment.The focus is a detailed analysis of the method performances when more than two components are present since, for such a case, literature does not provide significant modeling results.     

隧道受限火灾合理纵向通风风速范围研究*

为探究公路隧道不同受限程度火灾的适宜纵向通风风速,基于FDS模拟分析5种纵向通风速度下不同近壁距离火源顶棚下方烟气最高温度的分布特性、烟羽流倾角及烟气分层状况,提出合理纵向通风风速范围。研究结果表明:在隧道中心线上近火源下游,顶棚下方的最高温度沿纵向均呈指数衰减。不同贴壁距离和纵向通风风速下,均出现烟气分岔流动,随着贴壁距离减小羽流撞击处温升、火羽流偏移角显著增加。当风速小于1.6 m/s时,火源上游出现大量高温烟气回流;而当风速超过2.4 m/s时,分岔流动现象越明显,各偏移角变小,火源下游逐渐后移的烟气层严重失稳。因此,不同受限程度下火灾合理纵向风速为1.6~2.4 m/s。     

Risk assessment methodology for high-pressure CO2 pipelines incorporating topography

This paper presents a risk assessment methodology for high-pressure CO₂ pipelines developed at the Health and Safety Laboratory as part of the EU FP7 project CO2Pipehaz.Traditionally, consequence modelling of dense gas releases from pipelines at major hazard impact levels is performed using integral models with limited or no consideration being given to weather bias or topographical features of the surrounding terrain. Whilst dispersion modelling of CO₂ releases from pipelines using three-dimensional CFD models may provide higher levels of confidence in the predicted behaviour of the cloud, the use of such models is resource-intensive and usually impracticable. An alternative is to use more computationally efficient shallow layer or Lagrangian dispersion models that are able to account for the effects of topography whilst generating results within a reasonably short time frame.In the present work, the proposed risk assessment methodology for CO₂ pipelines is demonstrated using a shallow-layer dispersion model to generate contours from a sequence of release points along the pipeline. The simulations use realistic terrain taken from UK topographical data. Individual and societal risk levels in the vicinity of the pipeline are calculated using the Health and Safety Laboratory's risk assessment tool QuickRisk.Currently, the source term for a CO₂ release is not well understood because of its complex thermodynamic properties and its tendency to form solid particles under specific pressure and temperature conditions. This is a key knowledge gap and any subsequent dispersion modelling, particularly when including topography, may be affected by the accuracy of the source term.     

Reduction of chlorine concentrations by using a greenbelt

This paper presents the experimental results of using a greenbelt to mitigate accidental releases of chlorine from a small storage installation. During the field tests carried out with the shrub Thuya orientalis, Linnaeus (oriental thuya), the ability of such a barrier of vegetation to mitigate accidental releases by reducing the chlorine downstream concentrations was investigated. Visible injuries to the shrubs exposed to chlorine have been noticed, since the damaged areas exhibited typical symptoms with needles necrosis and a burnt orange-brown color. Early defoliation was observed in the vegetation areas directly exposed to the gas plume. It was shown that in the presence of the greenbelt, the chlorine concentrations were lessened by a factor of 4 at a distance of 5 m downstream from the source. This dilution ability vanished swiftly with the distance downstream from the greenbelt.