Dynamic energy and mass balance model for an industrial alkaline water electrolyzer plant process

This paper proposes a parameter adjustable dynamic mass and energy balance simulation model for an industrial alkaline water electrolyzer plant that enables cost and energy efficiency optimization by means of system dimensioning and control. Thus, the simulation model is based on mathematical models and white box coding, and it uses a practicable number of fixed parameters. Zero-dimensional energy and mass balances of each unit operation of a 3 MW, and 16 bar plant process were solved in MATLAB functions connected via a Simulink environment. Verification of the model was accomplished using an analogous industrial plant of the same power and pressure range having the same operational systems design. The electrochemical, mass flow and thermal behavior of the simulation and the industrial plant were compared to ascertain the accuracy of the model and to enable modification and detailed representation of real case scenarios so that the model is suitable for use in future plant optimization studies. The thermal model dynamically predicted the real case with 98.7 % accuracy. Shunt currents were the main contributor to relative low Faraday efficiency of 86 % at nominal load and steady-state operation and heat loss to ambient from stack was only 2.6 % of the total power loss.     

碳中和背景下配电网差异化节能降耗潜力评估分

为了提高配电网差异化节能降耗效果，解决现有潜力评估方法存在的应用性能差的问题，提出碳中和背景下配电网差异化节能降耗潜力优化评估方法。根据配电网的空间结构，构建相应的等值电路模型。在该模型下，从设备损耗和运行附加损耗2个方面计算配电网的损耗量。根据损耗量计算结果，确定配电网差异化碳中和节能降耗方式。从静态和动态2个角度设置潜力评估指标，通过指标数据处理、指标权重求解等步骤，得出配电网差异化节能降耗潜力的综合量化评估结果。将设计潜力评估方法应用到配电网的差异化节能降耗改造工作中，能够有效降低配电网的实际线损量、降低区域损耗费用，并具有较高的应用价值。     

Stable power supply of an independent power source for a remote island using a Hybrid Energy Storage System composed of electric and hydrogen energy storage systems

We propose a self-sustaining power supply system consisting of a “Hybrid Energy Storage System (HESS)” and renewable energy sources to ensure a stable supply of high-quality power in remote islands. The configuration of the self-sustaining power supply system that can utilize renewable energy sources effectively on remote islands where the installation area is limited is investigated. It is found that it is important to select renewable energy sources whose output power curve is close to the load curve to improve the efficiency of the system. The operation methods that can increase the cost-effectiveness of the self-sustaining power supply system are also investigated. It is clarified that it is important for increasing the cost effectiveness of the self-sustaining power supply system to operate the HESS with a smaller capacity of its components by setting upper limits on the output power of the renewable energy sources and cutting the infrequent generated power.     

Comparative study of embrittlement of quenched and tempered steels in hydrogen environments

The study of steels which guarantee safety and reliability throughout their service life in hydrogen-rich environments has increased considerably in recent years. Their mechanical behavior in terms of hydrogen embrittlement is of utmost importance. This work aims to assess the effects of hydrogen on the tensile properties of quenched and tempered 42CrMo4 steels. Tensile tests were performed on smooth and notched specimens under different conditions: pre-charged in high pressure hydrogen gas, electrochemically pre-charged, and in-situ hydrogen charged in an acid aqueous medium. The influence of the charging methodology on the corresponding embrittlement indexes was assessed. The role of other test variables, such as the applied current density, the electrolyte composition, and the displacement rate was also studied. An important reduction of the strength was detected when notched specimens were subjected to in-situ charging. When the same tests were performed on smooth tensile specimens, the deformation results were reduced. This behavior is related to significant changes in the operative failure micromechanisms, from ductile (microvoids coalescence) in absence of hydrogen or under low hydrogen contents, to brittle (decohesion of martensite lath interfaces) under the most stringent conditions.     

Effect of heat transfer through the release pipe on simulations of cryogenic hydrogen jet fires and hazard distances

Jet flames originated by cryo-compressed ignited hydrogen releases can cause life-threatening conditions in their surroundings. Validated models are needed to accurately predict thermal hazards from a jet fire. Numerical simulations of cryogenic hydrogen flow in the release pipe are performed to assess the effect of heat transfer through the pipe walls on jet parameters. Notional nozzle exit diameter is calculated based on the simulated real nozzle parameters and used in CFD simulations as a boundary condition to model jet fires. The CFD model was previously validated against experiments with vertical cryogenic hydrogen jet fires with release pressures up to 0.5 MPa (abs), release diameter 1.25 mm and temperatures as low as 50 K. This study validates the CFD model in a wider domain of experimental release conditions - horizontal cryogenic jets at exhaust pipe temperature 80 K, pressure up to 2 MPa ab and release diameters up to 4 mm. Simulation results are compared against such experimentally measured parameters as hydrogen mass flow rate, flame length and radiative heat flux at different locations from the jet fire. The CFD model reproduces experiments with reasonable for engineering applications accuracy. Jet fire hazard distances established using three different criteria - temperature, thermal radiation and thermal dose - are compared and discussed based on CFD simulation results.     

Yttrium doped covalent triazine frameworks as promising reversible hydrogen storage material: DFT investigations

Through Density Functional Theory (DFT) simulations, we have explored the possibility of yttrium (Y) doped Triazine (Covalent Triazine Frameworks i.e., CTF-1) to be a promising material for reversible hydrogen storage. We have found that Y atom strongly bonded on Triazine surface can adsorb at the most 7H₂ molecules with an average binding energy of ?0.33 eV/H₂. This boosts the storage capacity of the system to 7.3 wt% which is well above the minimum requirement of 6.5 wt% for efficient storage of hydrogen as stipulated by the US Department of Energy (DoE). The structural integrity over and above the desorption temperature (420 K) has been entrenched through Molecular Dynamics simulations and the investigation of metal-metal clustering has been corroborated through diffusion energy barrier computation. The mechanism of interactions between Y and Triazine as well as between H₂ molecules and Y doped Triazine has been explored via analyses of the partial density of states, charge density, and Bader charge. It has been perceived that the interplay of H₂ molecules with Y on Triazine is Kubas-type of interaction. The above-mentioned analysis and outcomes make us highly optimistic that Y doped Triazine could be employed as reversible hydrogen storage material which can act as an environmentally friendly alternate fuel for transport applications.     

A numerical study on the combustion limits of mesoscale methane jet flames with hydrogen addition

A meso-scale jet flame model was established for the flame ports of domestic gas stoves. The influences of hydrogen addition ratio (β = 0%–25%) on the combustion limits were explored. The results show that with the increase of hydrogen addition ratio, the blow-off limit increases obviously, while the extinction limit decreases slightly, namely, the combustible range expands significantly. Quantitative analysis was carried out in terms of chemical effect and thermal effect. It was found that hydrogen addition will reduce O₂ fraction in the pre-mixture for a constant equivalence ratio. Under near-extinction limit condition, since the flame is located at the nozzle exit, the external O₂ cannot be entrained into or diffuse into the upstream of the flame, which leads to the decrease of reaction rate. However, for the near-blow-off cases, the external O₂ can be entrained and diffuse into the flame, which compensates the difference of O₂ content in the pre-mixture. Therefore, the combustion reaction is enhanced by hydrogen addition because more H radicals can be produced. In addition, as the flame is located closer to the tube with the increase of hydrogen addition ratio, heat transfer between flame and tube wall is augmented and the preheating of fresh mixture is strengthened by the inner tube wall. This heat recirculation effect becomes especially notable in low velocity cases. In conclusion, the extension of extinction limit by hydrogen addition is attributed to the thermal effect, while the increase of blow-off limit is mainly due to the intensification of chemical effect.     

Numerical simulation of the effect of multiple obstacles inside the tube on the spontaneous ignition of high-pressure hydrogen release

Self-ignition may occur during hydrogen storage and transportation if high-pressure hydrogen is suddenly released into the downstream pipelines, and the presence of obstacles inside the pipeline may affect the ignition mechanism of high-pressure hydrogen. In this work, the effects of multiple obstacles inside the tube on the shock wave propagation and self-ignition during high-pressure hydrogen release are investigated by numerical simulation. The RNG k-ε turbulence model, EDC combustion model, and 19-step detailed hydrogen combustion mechanism are employed. After verifying the reliability of the model with experimental data, the self-ignition process of high-pressure hydrogen release into tubes with obstacles with different locations, spacings, shapes, and blockage ratios is numerically investigated. The results show that obstacles with different locations, spacings, shapes and blockage ratios will generate reflected shock waves with different sizes and propagation trends. The closer the location of obstacles to the burst disk, the smaller the spacing, and the larger the blockage ratio will cause the greater the pressure of the reflected shock wave it produces. Compared with the tubes with rectangular-shaped, semi-circular-shaped and triangular-shaped obstacles, self-ignition is preferred to occur in tube with triangular-shaped obstacles.     

Experimental and numerical study on tube-side flow and heat transfer characteristics of superheated vapor flow in catalyst-filled LH2 spiral wound heat exchanger

High energy consumption is considered to be one of the most persistent problems in liquid hydrogen (LH₂) plants. The combination of heat exchanger and ortho-para (O–P) hydrogen conversion has attracted considerable attention as a cutting-edge technology to reduce energy consumption. The flow and heat transfer characteristics of O–P hydrogen conversion catalyst-filled spiral wound heat exchanger (SWHE) were investigated in this study in two steps. In the first step, pressure-drop experiments were performed in a tube filled with porous media. The results indicated that the pressure drop was overestimated when using Ergun's equation. Therefore, a new empirical pressure-drop correlation for a channel filled with O–P catalyst was formulated. Subsequently, a novel heat transfer model was established based on this correlation for further numerical simulations. The distributions of the temperature, pressure, and para hydrogen content in a catalyst-filled tube were determined. In addition, the influence of the flow rate on the heat exchange coefficient and outlet para hydrogen was clarified; it was found that, with an increase in the flow rate, the heat exchange coefficient increased, whereas the outlet para hydrogen content decreased. At a flow rate of 0.5 m³/h, the para hydrogen content increased by 44% after hydrogen flowed through the channel filled with the O–P catalyst. Furthermore, a prediction model for the para hydrogen content with a flow rate range of 0–1.5 m³/h was derived. This study provides promising theoretical evidence for the engineering application of SWHEs filled with O–P catalysts in large-scale hydrogen liquefaction units.