Detailed and reduced chemistry for hydrogen autoignition

Reaction-rate parameters are given for the detailed chemistry of gas-phase hydrogen combustion, involving 21 reversible elementary steps. It is indicated that, when attention is restricted to specific combustion processes and particular conditions of interest, fewer elementary steps are needed. In particular, for calculating autoignition times over a wide range of pressures for temperatures between about 1000 and 2000 K, five irreversible elementary steps suffice, yielding a remarkable reduction in complexity. It is explained that, from a mathematical viewpoint, in terms of global reaction-kinetic mechanisms, the hydrogen–oxygen system in principle comprises only six overall steps. Rational reduced chemical mechanisms for hydrogen combustion therefore necessarily must have fewer than six overall steps. For autoignition over the range of conditions specified above, ignition times can be determined accurately by considering, in addition to an elementary initiation step and an elementary termination step, at most three overall steps for reaction intermediaries, which reduce to two for very fuel-lean conditions and to one for stoichiometric or fuel-rich conditions. The resulting reductions can simplify computations that need to be performed in risk analyses for hydrogen storage and utilization.     

UV-H2O2 based AOP and its integration with biological activated carbon treatment for DBP reduction in drinking water

The presence of disinfection byproducts (DBPs) such as trihalomethanes (THMs) and haloacetic acids (HAAs) in drinking water is of great concern due to their adverse effects on human health. Emerging regulation limiting the concentration of DBPs in drinking water has increased demands for technologies and processes which reduce the formation of DBPs in drinking water. In this study, UV-H₂O₂ based advance oxidation process (AOP) was used to treat raw surface water. Experiments were conducted using low pressure mercury vapor UV lamps in collimated beam and flow-through annular photoreactors. The effect of UV fluence (0–3500 mJ cm⁻²) and hydrogen peroxide concentration (0–23 mg l⁻¹) in reducing the concentration of THMs and HAAs was examined. The UV-H₂O₂ AOP was then coupled with a downstream biological activated carbon (BAC) treatment to assess the synergetic benefits of combining the two treatments. It was observed that UV-H₂O₂ AOP was only effective at reducing DBPs at UV fluences of more than 1000 mJ cm⁻²and initial H₂O₂ concentrations of about or greater than 23 mg l⁻¹. However, the combined AOP–BAC treatment showed significant reductions of 43%, 52%, and 59% relative to untreated raw water for DBPs, TOC, and UV₂₅₄, respectively.     

Shock-induced ignition of hydrogen gas during accidental or technical opening of high-pressure tanks

This paper is devoted to the numerical and experimental investigation of hydrogen self-ignition as a result of the formation of a primary shock wave in front of a cold expanding hydrogen gas jet. Temperature increase, as a result of this shock wave, leads to the ignition of the hydrogen–air mixture formed on the contact surface. The required condition for hydrogen self-ignition is to maintain the high temperature in the area for a time long enough for hydrogen and air to mix and inflammation to take place.

Calculations of the self-ignition of a hydrogen jet are based on a physicochemical model involving the gas-dynamic transport of a viscous gas, the kinetics of hydrogen oxidation, the multi-component diffusion, and the heat exchange. We found that the reservoir pressure range, when a shock wave formed in the air during depressurization, has sufficient intensity to produce self-ignition of the hydrogen–air mixture formed at the front of a jet of compressed hydrogen. We present an analysis of the initial conditions (the hydrogen pressure inside the vessel, the temperature of the compressed hydrogen and the surrounding air, and the diameter of the hole through which the jet was emitted), which leads to combustion.     

Numerical simulation of deflagration-to-detonation transition in large confined volumes

A methodology for the computationally efficient CFD simulation of hydrogen-air explosions (including transition to detonation) in large volumes is presented. The model is validated by means of the largest ever conducted indoor DDT experiments in the RUT facility. A combination of models is proposed with a particular focus on the influence of flame-instabilities, especially of thermal-diffusive nature, which are crucial for very lean mixtures. Excellent agreement is achieved in terms of flame acceleration. The quality of DDT predictions itself depends on the underlying mechanism. Whereas DDT by shock-focusing is successfully simulated on under-resolved meshes, DDT by local explosions in the vicinity of the turbulent flame brush remains a challenge. Adaptive mesh refinement therefore emerges as a key technique to resolve more of the essential phenomena at reasonable computational costs affordable by industry. Finally, a generic case demonstrates the influence of mixture inhomogeneity, which can promote flame acceleration and ultimately DDT.     

雅鲁藏布江河水氢氧同位素时空变化特征

为揭示流域内水汽循环过程变化规律、揭示河水稳定同位素与气象要素及海拔之间的关系,2018年先后采集雅鲁藏布江干流丰、平、枯,水期水样90个,对河水的氢氧同位素组成进行了分析.结果表明：利用δ¹⁸O与纬度和海拔定量关系模型研究了雅江流域降水氢氧同位素空间变化特征,发现降水中δ¹⁸O值变化呈现东西部（雅江上、下游）高中部（雅江中游）低的趋势;建立了雅江丰、平、枯水期河水氢氧同位素方程,研究发现δD与δ¹⁸O的线性方程斜率低于中国大气降水线,河水δD与δ¹⁸O有一定的季节性特征,其受大气降水的影响较大,且丰水期较平水期以及枯水期相比更为明显;雅江河水中δ¹⁸O空间特征表现为,从上游至下游整体表现出先降低再升高的变化趋势.南北空间上表现为河水δD-δ¹⁸O从南至北逐步增高的趋势.δD-δ¹⁸O值与海拔高度具有较弱的负相关关系;受地表蒸发分馏、降水云团迁移以及流域岩石风化的影响,雅江河水d值季节性、空间性变化明显.     

Explosion hazards related to hydrogen releases in nuclear facilities

Hydrogen explosion risk needs to be carefully assessed and evaluated in nuclear facilities because of the potential catastrophic consequences: breakdown of safety equipments, failure of containment, dissemination of radioactive materials in the environment.When studying an indoor release, one possible simplification is to assume a perfect gas mixing inside the room. This assumption is effectively often used to evaluate toxic risks in the environment outside a building (Mastellone, Ponte, & Arena, 2003). However, perfect gas mixing assumption is only a rough approximation, as indoor concentrations can largely differ from mean values, due to buoyancy, recirculation zones or obstacles for example.In order to better evaluate the risk of explosion in case of an accidental release of hydrogen, IRSN conducted a numerical study using FLACS CFD software. Several parameters have been studied to identify dangerous situations and draw a representative picture of the risk: room size, position and direction of hydrogen leak, ventilation characteristics. Hydrogen release flow rates used for numerical simulations have been chosen as the highest leak rate which, by applying the assumption of perfect mixing, produces an average concentration in the room equal to hydrogen lower flammability limit (LFL).Simulation results indicate that in some particular configurations, especially for impinging hydrogen jets, hydrogen concentrations can locally be above LFL and then create explosive atmospheres with significant volumes.     

Determination of the minimum ignition energy on the basis of a statistical approach

Based on existing MIE test results and new measurements, a statistical analysis for the MIE of hydrogen, ethene and propane is made by means of the logistic regression. The conditions necessary to carry out such an approach are discussed. It is shown that MIE values which are connected with a certain ignition probability could be determined adequately and lead to a more sophisticated result, also with regard to measurement uncertainties. This, in turn, leads to a better comparability and a higher informative content. At the same time, the MIEs of hydrogen, ethene and propane are reviewed. In doing so, a useful contribution to the discussion concerning the MIE of propane is made.     

Flame acceleration in unconfined hydrogen/air deflagrations using infrared photography

Flame behavior and blast waves generated during unconfined hydrogen deflagrations were experimentally studied using infrared photography. Infrared photography enables expanding spherical flame behaviors to be measured and flame acceleration exponents to be evaluated. In the present experiments, hydrogen/air mixtures of various concentrations were filled in a plastic tent of thin vinyl sheet of 1 m³ and ignited by an electric spark. The onset of accelerative dynamics on the flame propagation was analyzed by the time histories of the flame radius and the stretched flame speed. The results demonstrated that the self-acceleration of the flame, which was caused by diffusional-thermal and hydrodynamic instabilities of the blast wave, was influenced by hydrogen deflagrations in unconfined areas. In particular, it was demonstrated that the overpressure rapidly increased with time. The burning velocity acceleration was greatly enhanced with spontaneous-turbulization.     

Photocatalytic Production of Methane and Hydrogen Through Reduction of Carbon Dioxide with Water Using Titania Pellets

This paper presents an experimental study on employing a pellet form of catalyst in photo-reduction of carbon dioxide with water. Water was first absorbed into titania pellets. Highly purified carbon dioxide gas was then discharged into a reactor containing the wet pellets, which were then illuminated continuously for 65 hours using UVC lamps. Analysing the products accumulated in the reactor confirmed that methane and hydrogen were produced through photo-reduction of carbon dioxide with water. No other hydrocarbons were detected. Increasing the temperature in the reactor has showed little change on the amount of methane produced.     

高效吸收氧化法处理炼油工业恶臭气体研究

以碳酸钠溶液为吸收液,对苯二酚为催化荆,研究了对炼油企业硫化氢恶臭气体的吸收氧化效果,考察了吸收氧化的影响因素、再生方法及再生效果。结果表明：高效氧化吸收法处理硫化氢恶臭气体效果很好,吸收液可循环使用。