Scaling analysis of hydrogen flow with carbon dioxide cushion gas in subsurface heterogeneous porous media

Subsurface hydrogen (H₂) storage in geological formations is of growing interest for decarbonization. However, there is a knowledge gap in understanding the multiphase flow involved in this process, which can have a significant impact on the recovery performance of H₂. Therefore, a full-compositional modeling study was conducted to analyze potential issues and to understand the fundamental hydrodynamic mechanisms of H₂ storage. We performed a range of 2D vertical simulations at the decametre scale with a very fine cell size (0.1 m) to observe the detailed flow behaviour of H₂ with carbon dioxide (CO₂) as cushion gas in various flow regimes. Issues such as viscous instability, capillary bypassing, gas trapping and gravity segregation are analysed here. To generalize our calculations, we have validated and applied the scaling theory in the context of subsurface H₂ storage. Since this study is focused on the hydrodynamic behaviour, three dimensionless groups, including aspect factor, capillary/viscous ratio and gravity/viscous ratio were identified to correlate recovery performance between various scales in a fixed heterogeneous system. It was found that H₂ could infiltrate the cushion gas in the proximity of the injectors, meaning that CO₂ is not displaced away from the injectors in a piston-like fashion. As a result, the purity of the back produced H₂ is much degraded, particularly in a viscous-dominated scenario. On the other hand, the injected H₂ mostly accumulates at the top forming a highly restricted mixing zone with CO₂ in the gravity-dominated case. The recovery performance is therefore much improved in this case. Although the gas distribution can be significantly altered by capillary forces leading to bypassed zones, the recovery performance of H₂ is hardly influenced. This is because the back-produced H₂ recovery is not dependent on the sweep efficiency of the gas. H₂ can be back produced following the same paths which were formed during injection.     

一种新型地雷战斗部的数值模拟研究

针对地雷的毁伤目标和特性,提出一种新颖的多棱柱状药型罩结构,其可看作由八个楔形罩对称排列相邻连接而成。应用非线性有限元软件完成了爆炸载荷下多棱柱状药型罩形成射流过程的数值模拟,结果表明新型药型罩结构能够实现预期设想,形成一股汇聚射流。研究结果为地雷战斗部研究提供了一种新的选择。     

地应力条件下的凿岩爆破数值模拟

为了研究地应力对凿岩爆破的影响,采用DDA方法模拟爆炸应力波作用下考虑地应力条件时的单孔和多孔凿岩爆破破岩过程。模拟发现,随着初始地应力水平的增加,裂纹扩展半径和破岩区域面积减小,裂纹发育主方向趋于地应力的最大主应力方向,初始地应力对裂纹的抑制和引导作用明显;初始地应力水平的增加,对拉伸裂纹的抑制作用更为显著,从而降低了拉伸破坏对爆破破岩的贡献。模拟也表明,在初始地应力存在的条件下,通过对爆破载荷和炮孔布置进行针对性的优化,可以克服地应力带来的影响,并取得预期的爆破效果。本研究对地应力条件下的凿岩爆破工程具有理论和参考意义。     

内含实体对H型垂直轴风力机气动性能的影响

以H型垂直轴风力机及其内含圆柱形实体为研究对象,对NACA0018翼型的五叶片H型垂直轴风力机的气动性能进行数值模拟和实验验证。分析8种不同直径的内含圆柱体,在内含实体截面积占风轮迎风面积之比分别为21.2%、50.0%和76.9%时,风力机风能利用率的峰值分别下降8.04%、20.7%及74.3%。结果表明：随着内含实体直径的增大,风能利用率的峰值逐渐减小,开始较为缓慢,达到一定值时快速下降。小直径内含实体主要影响叶片在下风区的转矩,对风能利用率的影响较小,而大直径内含实体还会影响叶片在上风区的转矩,其风能利用率迅速减小。对于内含固定直径的实体,比如在现有建筑物外侧安装风力机时,其风轮半径的选择需综合考虑风能利用率和风力机的建造成本两方面的因素。研究结果可为建筑物与垂直轴风力机进行有效结合以提高风能的利用提供参考。     

Hydrogen production with an auto-thermal MSW steam gasification and direct melting system: A process modeling

Municipal solid waste steam gasification and direct melting system is proposed in this study for H₂ production and ash melting simultaneously. Part of the H₂ generated in gasification is extracted for combustion with pure oxygen in the melting zone to provide the energy necessary for auto-thermal operation. A simulation model is developed with Aspen Plus to investigate the performance and optimum conditions of the system. For the feedstock with a lower heating value of 18.91 MJ/kg used in this study, 39.8% of the generated H₂ needs to be extracted to maintain the heat balance of the system at the gasification temperature of 900 °C, melting temperature of 1400 °C, and S/M of 1. The net H₂ yield is ～77.3 kg/t-MSW with a net cold gas efficiency of 49.1% under the same operating condition. An optimum operation condition for T (850–1000 °C) and S/M (0.6–1.0) is determined considering the balance between H₂ production ability and the auto-thermal energy balance.     

Kinetic Monte Carlo simulation of hydrogen production from photocatalytic water splitting in the presence of methanol by 1 wt% Au/TiO2

In this research, using the kinetic Monte Carlo simulation (KMC), the hydrogen production from a water-methanol mixture using Au/TiO₂ photocatalyst is investigated. A mechanism is proposed, and the rate constants of the reaction steps are specified. The reaction rate constants of different steps and the concentration of the active sites on the photocatalyst surface were determined. An excellent match between simulated and experimental data confirms the results. The electron-hole pair production, methanol adsorption on the photocatalyst surface, and electron-hole recombination steps are considered the most critical steps. To study the effects of independent variables (initial concentration of methanol, photocatalyst dosage, pH, and time of reaction) on the produced hydrogen, a combination of KMC simulation and design of experiment was employed. The concentration of photocatalysis has the highest and pH has the lowest effect on the hydrogen production. The optimal conditions for photocatalytic hydrogen production are presented.     

Effect of heat loss on the syngas production by fuel-rich combustion in a divergent two-layer burner

The effect of heat loss on the syngas production from partial combustion of fuel-rich in a divergent two-layer burner is numerically studied using two-dimensional model with detailed kinetics GRI-Mech 1.2. Both the radiation and wall heat losses to the surrounding are considered in the computations. It is shown that two types heat losses have different effects on the syngas production. The radiation heat loss has significant effect on the syngas temperature and the syngas temperature is dropped as radiation heat loss is increased, but it has neglected effect on the reforming efficiency and methane conversion efficiency. The wall heat loss has a comprehensive effect on the syngas production. The wall heat loss not only reduces the conversion efficiency, but also significantly decreases the syngas temperature. The effect of wall heat loss becomes weak as the equivalence is increased. The reforming efficiency drops from 0.440 to 0.424 for equivalence ratio of 2 and mixture velocity of 0.17 m/s for the predictions between adiabatic wall and non-adiabatic conditions.     

Flow field simulation and pressure drop modeling by a porous medium in PEM fuel cells

For proton-exchange membrane fuel cells, the distribution of reactant flow in the stack is critical to the fuel cell's efficiency. The uneven distribution of reactant flow in the stack may cause poor current density, low performance, and material degradation. To understand and accurately predict the flow field in the proton-exchange membrane fuel cell system, the present study aims to develop a simple correlation to analyze the pressure drop in fuel cell stacks. The flow channel in each cell of a stack is treated as a porous medium, and a power-law model is used to approximate the porous medium momentum source term. For the stacks with fewer cell numbers, namely, 1, 5, and 10 cells, the parameters in the power law are established based on the experimental data. Then, a correlation is developed to simulate the flow and predict the pressure drop in the stack with higher cell numbers (ie, 20 and 40 cells). The simulations show that the pressure drop in each cell of a stack is almost invariable, and the average pressure drop decreases with increasing the number of cells. The flow uniformity in the stacks with different cell numbers is evaluated using the dimensionless pressure drop and the pressure drop ratios. It suggests that the lower the cell number, the more uniform the pressure drop. The developed model is conducive to efficiently designing the flow channel for a fuel cell stack with large cell numbers.     

基于CFD⁃DEM的水下切粒装置水室内颗粒流动过程数值模拟

基于CFD?DEM耦合方法，研究了颗粒在水室内的流动状态，分析了不同刀盘转速、粒子水通入量和水室出口角度对造粒过程的影响，发现提高刀盘转速、增加粒子水通入量和水室出口倾斜一定的角度都有利于水室内颗粒的排出。进一步研究了颗粒与碎屑在水室内的流动，发现在水室出口处二者的流动基本呈现出一定的分离角度。     

Improved room-temperature hydrogen storage performance of lithium-doped MIL-100(Fe)/graphene oxide (GO) composite

Li⁺ doping is regarded as an effective strategy to enhance the room-temperature hydrogen storage of metal-organic frameworks (MOFs). In this work, Li⁺ is doped into both MIL-100(Fe) and MIL-100(Fe)/graphene oxide (GO) composite, and it is demonstrated that the hydrogen uptake of Li⁺ doped MIL-100(Fe)/GO (2.02 wt%) is improved by 135% compared with Li⁺ doped MIL-100(Fe) (0.86 wt%) at 298 K and 50 bar, which is ascribed to its higher isosteric heat of adsorption (7.33 kJ/mol) resulting from its more accessible adsorption sites provided by doped Li⁺ ions and ultramicropores. Grand canonical Monte Carlo (GCMC) simulation reveals that Li⁺ ions distributing in the interface between MIL-100(Fe) and GO within MIL-100(Fe)/GO composite is favorable for hydrogen adsorption owing to the increased number of adsorption sites, thus contributing to the enhanced hydrogen storage capacity. These findings demonstrate that MIL-100(Fe)/GO is a more promising Li⁺ doping substrate than MIL-100(Fe).