A novel approach combining bootstrapped non-intrusive reduced order models and unscented transform for the robust and efficient CFD analysis of accidental gas releases in congested plants

The risk assessment for safety-critical, complex systems is a very challenging computational problem when it is performed with high-fidelity models, e.g. CFD, like in the case of accidental gas releases in congested systems. Within this framework, a novel CFD approach, named Source Box Accident Model, has been recently proposed to efficiently model such phenomena by splitting the simulation of the gas release and its subsequent dispersion in the system in two steps. In this view, the present paper proposes a non-intrusive, Proper Orthogonal Decomposition-Radial Basis Functions reduced order model that exploits the two-step nature of the SBAM approach, to mimic the behaviour of the original, long-running CFD model code at a significantly lower computational cost. Moreover, the paper presents a methodology combining the bootstrap and unscented transform approaches to efficiently assess the ROM uncertainty in the safety-critical simulation output quantities of interest, e.g. the flammable volume. The results obtained in a test case involving a high pressure, accidental gas release in an off-shore Oil & Gas plant are in very satisfactory agreement with those produced by CFD, with a relative error smaller than 10% and a reduction in the computational time of about three orders of magnitude.     

Vent Sizing Criteria for Partial Volume Deflagration

The accidental spill of volatile solvents or the release of flammable gases within equipment and buildings is likely to form fuel concentration gradients unless efficient mixing is provided. As a consequence, even small amounts of fuel can form flammable clouds, and partial volume deflagrations may occur. Nevertheless, few indications are given in international guidelines for vent sizing and only over-conservative well-mixed stoichiometric assumptions are used. In this paper, we propose a predictive methodology for the evaluation of the dynamics of partial volume deflagration, aiming at defining useful correlations for the design of vent devices, starting from the fundamental equation for the rate of pressure rise and flame propagation in closed vessel. We define a ‘stratified gas deflagration index’ K_G(m), where m is the filling ratio, and use it with the most common design equations for vent sizing. The approach has been validated by means of a CFD code for the simulation of stratified laminar methane–air explosion by varying both filling ratio and volume.     

A preliminary explore to the forced ventilation on the toxic gas release/dispersion and the hazard mitigation within a petrochemical plant

More than thirty-five years ago, the Bhopal disaster shook the whole world and investigators found out that many people survived just because they turned on the fans in their bedrooms. It was postulated that the forced ventilation played an important role in diluting the toxic gas and saved these people. In order to provide evidence to solve this old mystery, this research employed FLACS software to assess the hazardous degree of a toxic gas (hydrogen sulfide) leakage within a petrochemical process. Series of gas dispersion simulations were performed to actualize the hazardous characteristics and the corresponding risks of the release accident. The study shows that the hazardous level and the hazard range can be greatly influenced when parameters, such as the gas leakage circumstances (atmospheric conditions and wind speed) and the mitigation measures (direction of fans and their speed) are altered.By using explosion-proof fans in different positions and ventilation directions, combined with the natural wind in a certain direction, this research attempts to detect the best combination from various mitigation designs and to compare the influence of fan directions on hazard mitigation. It is also the first time of its kind to simulate the effect of forced ventilation on hazard mitigation within a process plant. The results show that the hazardous level of a toxic release can be effectively alleviated, when the direction of the mechanical ventilation is against the natural wind direction. With the help of the CFD simulation and the quantitative risk analysis technique, different loss prevention strategies can be tested via this method in order to establish a safer working environment.     

Low rate releases of hazardous light gases under semi-confined geometry: A consequence based approach and case-study application

As evidenced by accident statistics, an important factor when considering the safe operation of process plants is the effective mitigation of the effects of gaseous flammable releases, either by a prevention, or a protection approach. A detailed historical analysis was performed considering accidental scenarios associated with the use and management of light gases, starting from raw data selected from FACTS database and analysed by a causal multi-layer method. Results revealed that the major part of the accidental releases involving methane, hydrogen, ethene, ammonia can be attributed to organizational or process/plant immediate causes. As expected, the most frequent scenarios following the release are fire and explosion. We focus our attention on the development of a short-cut method allowing preliminary evaluation of the maximum gaseous build-up under semi-confined conditions, limiting the effects of the fire/explosion scenario to a tolerable level. The limitations of the model that is applied to selected case-studies and require further experimental validation are critically discussed. The results of the application of the model, which can boast of being safe but not disproportionately conservative, can be set as a maximum threshold in proper designing technical measures aiming at limiting the effects to a tolerable level by protection methods, e.g. isolation, venting, suppression and containment.     

Vapor flammability above aqueous solutions of flammable liquids

The flammability of vapors above aqueous solutions of ethanol and acetonitrile was studied experimentally in a 20-L combustion apparatus. No liquid was present in the apparatus, but the vapor concentrations were adjusted to correspond to the vapor in equilibrium with a specified aqueous solution. The experimental results for these two systems show that

• As water is added to the vapor, the lower boundary of the flammability zone decreases. For ethanol, the lower flammability limits (LFL) decreases from 3.7% for pure vapor to 3.2% with saturated water vapor. For acetonitrile, the decrease is from 4.2% to 3.8%. Thus, to a good approximation, the water vapor can be treated as an inert, enabling the data to be displayed on a single flammability triangle diagram. This provides a very simplified method for estimating the flammable behavior for aqueous solutions.

• The upper boundary of the flammability zone is unchanged with the addition of water.

• The limiting oxygen concentration (LOC) is essentially constant for all concentrations of aqueous solutions. The LOC for the pure solvent may be used as a universal LOC for all solvent concentrations.

• The vapor mixture above the aqueous solution is not flammable below a certain liquid mol fraction of flammable. The flammable concentration at which this occurs can be called the maximum safe solvent concentration (MSSC). A method is presented to determine the MSSC from experimental flammability data.

• The oxygen concentration defining the flammable boundary for the vapor decreases rapidly from the MSSC and then increases as the liquid solvent concentration increases.

The calculated adiabatic flame temperature (CAFT) method qualitatively predicts the same behavior as the experimental data.     

Control of accidental releases of hydrogen selenide and hydrogen sulphide in the manufacture of photovoltaic cells: a feasibility study

Industrial and regulatory communities are concerned about the need to control routine and accidental releases of toxic gases. This paper outlines an approach for evaluating control systems for new technologies when there is only limited experience. The approach is illustrated by identifying and evaluating specific options to control releases of hydrogen selenide (H₂Se) and hydrogen sulphide (H cells. Routine emmisions can be controlled with a system composed of a Venturi scrubber, a packed-bed scrubber, and a carbon adsorption bed. Accidental releases can be controlled by the proper design of a ventillation system combined with either a Venturi and packed-bed scrubber and carbon-a or a containment-scrubbing equipment followed by carbon adsorption. The annualized costs of these controls (≈$0.01/Watt-peak (W_p)), are small compared with current (≈$6/W_p) and projected (≈$1/W_p) production costs. Thus, systems which could control accidental releases of highly toxic H₂Se and H₂S in CuInSe₂ photovoltaic cell manufactu These systems can effectively reduce emmisions of toxic gas to levels needed to protect the health of the public.     

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.     

Venting of Low Pressure Hydrogen Gas: A Critique of the Literature

The use of hydrogen is increasing in industrial processes, and its use is likely to increase further with its potential use as an energy carrier. The venting of hydrogen is inevitable at some time for almost all uses, and its propensity to ignite makes it essential that safe venting regimes are understood. The options for disposal by dilution to below the lower flammable limit, inerting, dispersion of flammable concentrations and flaring are discussed, along with the potential for ignition of releases within the flammable range and the subsequent need for flame extinguishing. The available literature on the protection of vents from external ignition is critically examined, to determine the appropriate parameters to allow selection of a disposal method. A decision-tree is presented to allow a rational appraisal of the most appropriate disposal method to be selected and precautions to be applied for adequate protection of the vent.     

油页岩含氧干馏工艺流程爆炸极限分析

根据干馏工艺流程配入适量氧气,可以降低载热气体需要预热的温度,以实现低能耗、易于工业生产的特点,设计了一套新型的有氧干馏工艺流程。有氧干馏工艺因其过程中存在可燃性混合物,有发生爆炸事故的可能性,通过实验对所收集的不同温度下的干馏气体的成分与含量进行了分析,结合爆炸极限理论,对该有氧干馏工艺流程的不同温度、不同惰性气体含量条件下可燃气体爆炸极限进行了分析计算。结果表明,可燃气体的浓度在整个反应升温过程中始终没有进入爆炸危险区域,说明该实验装置不具备爆炸危险性;对干馏工艺流程中氧气的输入量的控制,可以防止该工艺流程的火灾爆炸的发生。     

Prediction of flammability limits of fuel-air and fuel-air-inert mixtures from explosivity parameters in closed vessels

Flammability limits of fuel-air and fuel-air-inert gaseous mixtures, especially at non-atmospheric conditions, are essential properties required for establishing safety operating conditions for handling and processing flammable gases. For pure fuels, an important data pool exists, formed by the flammability limits of fuel-air and fuel-air-inert gaseous mixtures at ambient initial conditions measured by standard methods. Such methods can be used for experimental determination of flammability limits for multi-fuels mixed with air, with or without additives, under non-atmospheric conditions. Their use is however a time- and material-consuming process; in addition, the flammability limits obtained by various standard methods may be scattered as a result of different choices in the operating parameters, for each standard method. It appears that a preliminary estimation of the flammability limits for fuel-air and fuel-air-inert gaseous mixtures can minimize the effort of measuring them in specific initial conditions.The present paper describes a new method for estimating the flammability range of fuel-oxidizer gaseous mixtures based on measurements of explosivity properties e.g. the peak explosion pressure and maximum rate of pressure rise recorded during closed vessel laminar explosions of fuel-oxidizer mixtures far from limits. Data obtained for several hydrocarbon-air gaseous mixtures with or without inert gas addition are used to examine the accuracy of estimated flammability limits (LFL – the lower and UFL – the upper flammability limit) as well as of the Limiting Oxygen Concentration (LOC) and the Minimum Inert Concentration (MIC). The predictive ability of the proposed method is examined against the predictive ability of other recently described methods.     

重气扩散的数值模拟

易燃易爆有毒物质泄漏事故常形成比空气重的气云 ,国外已开发了大量不同复杂程度的重气扩散模型 ,其中数值模拟已成为快速发展的领域。本文综述了重气扩散的湍流模型 ;还描述了数值模拟的计算方法及其准确性 ;最后分析了目前存在的问题 ,提出了今后的发展方向。     

采空区注超临界CO2防灭火试验研究

为研究超临界CO₂注入采空区防灭火的规律,自主研制了产生超临界CO₂和模拟采空区遗煤自燃升温试验系统,得到了不同温压条件下超临界CO₂注入采空区前后不同监测点的温度、O₂和CO浓度变化数据信息。试验结果表明:注入采空区的超临界CO₂发生相变,有序结构急速失序,大量吸收热量,采空区内的煤体、空气温度随时间呈线性快速下降规律,其降温能力是气态N₂的10倍;超临界CO₂在自燃发火煤体中的强渗透扩散特性,使自燃煤体快速惰化,防灭火效率高;停止注入后,小范围回温符合反二次函数特征;高压力超临界CO₂相对于低压条件,防灭火性能更佳;超临界CO₂是1种降温降氧能力显著,且输送性能优良的采空区新型防灭火材料,超临界CO₂防灭火效果优于气态N₂。     

CFD modelling of hydrogen release, dispersion and combustion for automotive scenarios

The paper describes the analysis of the potential effects of releases from compressed gaseous hydrogen systems on commercial vehicles in urban and tunnel environments using computational fluid dynamics (CFD). Comparative releases from compressed natural gas systems are also included in the analysis.

This study is restricted to typical non-articulated single deck city buses. Hydrogen releases are considered from storage systems with nominal working pressures of 20, 35 and 70 MPa, and a comparative natural gas release (20 MPa). The cases investigated are based on the assumptions that either fire causes a release via a thermally activated pressure relief device(s) (PRD) and that the released gas vents without immediately igniting, or that a PRD fails. Various release strategies were taken into account. For each configuration some worst-case scenarios are considered.

By far the most critical case investigated in the urban environment, is a rapid release of the entire hydrogen or natural gas storage system such as the simultaneous opening of all PRDs. If ignition occurs, the effects could be expected to be similar to the 1983 Stockholm hydrogen accident [Venetsanos, A. G., Huld, T., Adams, P., & Bartzis, J. G. (2003). Source, dispersion and combustion modelling of an accidental release of hydrogen in an urban environment. Journal of Hazardous Materials, A105, 1–25]. In the cases where the hydrogen release is restricted, for example, by venting through a single PRD, the effects are relatively minor and localised close to the area of the flammable cloud. With increasing hydrogen storage pressure, the maximum energy available in a flammable cloud after a release increases, as do the predicted overpressures resulting from combustion. Even in the relatively confined environment considered, the effects on the combustion regime are closer to what would be expected in a more open environment, i.e. a slow deflagration should be expected.

Among the cases studied the most severe one was a rapid release of the entire hydrogen (40 kg) or natural gas (168 kg) storage system within the confines of a tunnel. In this case there was minimal difference between a release from a 20 MPa natural gas system or a 20 MPa hydrogen system, however, a similar release from a 35 MPa hydrogen system was significantly more severe and particularly in terms of predicted overpressures. The present study has also highlighted that the ignition point significantly affects the combustion regime in confined environments. The results have indicated that critical cases in tunnels may tend towards a fast deflagration, or where there are turbulence generating features, e.g. multiple obstacles, there is the possibility that the combustion regime could progress to a detonation.

When comparing the urban and tunnel environments, a similar release of hydrogen is significantly more severe in a tunnel, and the energy available in the flammable cloud is greater and remains for a longer period in tunnels. When comparing hydrogen and natural gas releases, for the cases and environments investigated and within the limits of the assumptions, it appears that hydrogen requires different mitigation measures in order that the potential effects are similar to those of natural gas in case of an accident. With respect to a PRD opening strategy, hydrogen storage systems should be designed to avoid simultaneous opening of all PRD, and that for the consequences of the released energy to be mitigated, either the number of PRDs opening should be limited or their vents to atmosphere should be restricted (the latter point would require validation by a comprehensive risk assessment).     

Modelling accidental releases of dangerous gases into the lower troposphere from mobile sources

The article reports the results of different methods of modelling releases and dispersion of dangerous gases or vapours in cases of major accidents from road and rail transportation in urban zones. Transport accidents of dangerous substances are increasingly frequent and can cause serious injuries in densely inhabited areas or pollution of the environment. For quantitative risk assessment and mitigation planning, consequence modelling is necessary.

The modelling of dangerous substance dispersion by standard methods does not fully represent the behaviour of toxic or flammable clouds in obstructed areas such as street canyons. Therefore the predictions from common software packages as ALOHA, EFFECTS, TerEx should be augmented with computational fluid dynamics (CFD) models or physical modelling in aerodynamic tunnels, and further studies are planned to do this.

The goal of this article is to present the results of the first approach of modelling using these standard methods and to demonstrate the importance of the next development stage in the area of transport accident modelling of releases and dispersions of dangerous substances in urban zones in cases of major accident or terrorist attacks.     

气体二氧化氯爆炸特性参数的测定

利用20L圆柱形可燃气体(蒸气)爆炸测试实验装置,用预先配制好浓度的盐酸溶液和亚氯酸钠溶液现场发生反应生成二氧化氯气体,对二氧化氯气体爆炸特性参数进行测定。采用TST6150动态数据储存仪和压力传感器等实验设备获得了高清晰度的二氧化氯气体爆炸压力变化曲线。通过综合分析实验结果,得到了二氧化氯气爆炸极限和爆炸压力变化规律。根据该研究结果,对于预防二氧化氯气体爆炸事故的发生提供数据参考,对指导安全生产和使用,均具有实际意义。     

A CFD based explosion risk analysis methodology using time varying release rates in dispersion simulations

A full probabilistic Explosion Risk Analysis (ERA) is commonly used to establish overpressure exceedance curves for offshore facilities. This involves modelling a large number of gas dispersion and explosion scenarios. Capturing the time dependant build up and decay of a flammable gas cloud size along with its shape and location are important parameters that can govern the results of an ERA. Dispersion simulations using Computational Fluid Dynamics (CFD) are generally carried out in detailed ERA studies to obtain these pieces of information. However, these dispersion simulations are typically modelled with constant release rates leading to steady state results. The basic assumption used here is that the flammable gas cloud build up rate from these constant release rate dispersion simulations would mimic the actual transient cloud build up rate from a time varying release rate. This assumption does not correctly capture the physical phenomena of transient gas releases and their subsequent dispersion and may lead to very conservative results. This in turn results in potential over design of facilities with implications on time, materials and cost of a project.In the current work, an ERA methodology is proposed that uses time varying release rates as an input in the CFD dispersion simulations to obtain the fully transient flammable gas cloud build-up and decay, while ensuring the total time required to perform the ERA study is also reduced. It was found that the proposed ERA methodology leads to improved accuracy in dispersion results, steeper overpressure exceedance curves and a significant reduction in the Design Accidental Load (DAL) values whilst still maintaining some conservatism and also reducing the total time required to perform an ERA study.     

Numerical study on the initial expansion of two-phase cloud from an instantaneous release

In industries some dangerous liquefied gases may accidentally release and it may form a flammable or toxic mixture after mixing with air. One tool that is being developed in industry for two-phase cloud dispersion modeling is computational fluid dynamics (CFD). In this paper, the dispersion processes of different dangerous materials including liquefied chlorine, liquefied ammonia and liquefied petroleum gas were simulated in the same condition to analyze the characteristics of the initial expansion processes by CFD tool. The heat and mass transfer between droplets and the vapor after an instantaneous release event was calculated by using the Eulerian–Lagrangian method. The results from a number of 3-D CFD based studies were compared with the available small-scale experimental results. The results show that the present model and numerical simulation are reliable.     

Optimization of dilution ventilation layout design in confined environments using Computational Fluid Dynamics (CFD)

Dilution ventilation systems have been widely used to control the airborne toxic and explosive material in confined spaces. Layout design of dilution ventilation is critical to industrial hygiene control and ventilation efficiency. A properly designed dilution ventilation system can significantly improve the safety of confined workshops and maintain a comfortable work condition. In this work, Computational Fluid Dynamics (CFD) has been used to analyze the performance of dilution ventilation system in the confined workshop environment. Seven different ventilation layouts are proposed to evaluate ventilation performance of different installation layouts. Carbon monoxide (CO), which has the similar density as air, is selected as the sample contaminant to conduct steady-state CFD simulations. The simulation results of different layouts are examined and compared to get the optimal layout design for the best contaminant control. Results have shown that the layout with two opposite inlets has the highest ventilation efficiency among seven proposed layouts. This work can serve as a reference to increase dilution ventilation efficiency and minimize the energy cost in general confined areas.