Hydrogen wettability in carbonate reservoirs: Implication for underground hydrogen storage from geochemical perspective

Hydrogen has been considered as a promising renewable source to replace fossil fuels to meet energy demand and achieve net-zero carbon emission target. Underground hydrogen storage attracts more interest as it shows potential to store hydrogen at large-scale safely and economically. Meanwhile, wettability is one of the most important formation parameters which can affect hydrogen injection rate, reproduction efficiency and storage capacity. However, current knowledge is still very limited on how fluid-rock interactions affect formation wettability at in-situ conditions. In this study, we thus performed geochemical modelling to interpret our previous brine contact angle measurements of H₂-brine-calcite system. The calcite surface potential at various temperatures, pressures and salinities was calculated to predict disjoining pressure. Moreover, the surface species concentrations of calcite and organic stearic acid were estimated to characterize calcite-organic acid electrostatic attractions and thus hydrogen wettability. The results of the study showed that increasing temperature increases the disjoining pressure on calcite surface, which intensifies the repulsion force of H₂ against calcite and increases the hydrophilicity. Increasing salinity decreases the disjoining pressure, leading to more H₂-wet and contact angle increment. Besides, increasing stearic acid concentration remarkably strengthens the adhesion force between calcite and organic acid, which leads to more hydrophobic and H₂-wet. In general, the results from geochemical modelling are consistent with experimental observations that decreasing temperature and increasing salinity and organic acid concentration increase water contact angle. This work also demonstrates the importance of involving geochemical modelling on H₂ wettability assessment during underground hydrogen storage.     

Enhanced gaseous hydrogen solubility in ferritic and martensitic steels at low temperatures

Metals that are exposed to high pressure hydrogen gas may undergo detrimental failure by embrittlement. Understanding the mechanisms and driving forces of hydrogen absorption on the surface of metals is crucial for avoiding hydrogen embrittlement. In this study, the effect of stress-enhanced gaseous hydrogen uptake in bulk metals is investigated in detail. For that purpose, a generalized form of Sievert's law is derived from thermodynamic potentials considering the effect of microstructural trapping sites and multiaxial stresses. This new equation is parametrized and verified using experimental data for carbon steels, which were charged under gaseous hydrogen atmosphere at pressures up to 1000 bar. The role of microstructural trapping sites on the parameter identification is critically discussed. Finally, the parametrized equation is applied to calculate the stress-enhanced hydrogen solubility of thin-walled pipelines and thick-walled pressure vessels during service.     

Impact of the anode operating conditions on the liquid water distribution in the cathode gas diffusion layer

Previous experimental results indicate that the humidification conditions at the anode have an impact on the liquid water distribution in the cathode gas diffusion layer. Numerical simulations are developed to reproduce and analyze this effect. Results consistent with the experimental results are first obtained by playing with the partition coefficients of an advanced pore network model computing the liquid water formation and transfer in the cathode gas diffusion layer (GDL) for a large range of operating conditions. Then, a model for the full anode – cathode assembly is developed by combining the pore network model of the cathode GDL and a 1D model describing the heat and water transfer in the various components of the anode-cathode assembly. This enables one to generalize the dry – wet regime diagram introduced in a previous work by incorporating the effect of the humidity condition at the anode.     

Numerical modelling of a low power non-transferred arc plasma reactor for methane conversion

Thermal flow characteristics and the methane conversion reaction in a low power arc plasma reactor for efficient storage and transport of methane, which is the main component of shale gas, were simulated. The temperature and velocity distributions were calculated according to the type of discharge gases and arc current level by a self-developed magnetohydrodynamics (MHD) code and a commercial ANSYS-FLUENT code; the transport of chemical species was analyzed as including the chemical reactions of methane conversion. The simulated results were verified by the comparison of calculated and measured arc voltages with permissible low error as under 4%. Three C₂ hydrocarbon gases with ethane (C₂H₆), ethylene (C₂H₄), and acetylene (C₂H₂) were selected as the converted species of methane from experimental data. The mass fraction of C₂ hydrocarbons and hydrogen as the product of the conversion reaction at the reactor was also calculated. Those values show good agreement with the actual experimental results in that the major conversion reaction occurred in C₂H₂ and hydrogen, and the conversions to C₂H₆, C₂H₄, and hydrogen were minor reactions of methane pyrolysis conversion.     

Simulating the effect of aluminizing on a CoNiCrAlY-coated Ni-base superalloy

MCrAlY (M = Ni, Co) coatings are commonly used on gas-turbine components as oxidation resistant overlay coatings and bondcoats for thermal barrier systems. The present work focuses on the effect of the aluminizing process on the CoNiCrAlY coating microstructure. In the as-received condition the outer part of the coating consisted mostly of β-(Ni,Co)Al with interspersed precipitates of Cr-rich carbide and Cr-rich boride precipitates. Formation of σ-CoCr was observed at the interface between the β-layer and the inner initial CoNiCrAlY microstructure. Scanning electron microscopy (SEM) combined with energy and wavelength-dispersive X-ray spectroscopy (EDX/WDX) was employed to characterize the aluminized CoNiCrAlY coating. Phases were then identified by electron backscatter diffraction (EBSD). Detailed microstructural studies of the coating were corroborated with the help of coupled thermodynamic-kinetic calculations to model the aluminizing process. The calculations were performed with the in-house developed code employing the commercially available thermodynamic and kinetic databases (ThermoCalc). The mechanisms of the observed microstructural changes were elucidated with the help of the modelling results.     

The effect of TiO2 nanotube morphological engineering and ZnS quantum dots on the water splitting reaction: A theoretical and experimental study

Ordered arrays of TiO₂ nanotubes with smooth and rippled morphologies were prepared by one-step titanium oxidation in NH₄F and ethylene glycol solution. The samples were then decorated with ZnS using a microwave-assisted solvothermal method. The experiments under constant or pulsed applied voltage resulted in smooth and rippled TiO₂material morphologies, respectively. Field emission scanning electron microscopy, incident photon-to-current efficiency, linear sweep voltammetry and electrochemical impedance spectroscopy were used to investigate the structure and morphology of the TiO₂ nanotubes, along with their photoelectrochemical activity in the water splitting reaction. An envelope function was proposed to correlate the anisotropic morphologies and broad distribution of mobility due to the random nature of charge carrier transport. The smooth and rippled morphologies were evaluated using the transmission line model. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level are conducted to obtain a better understanding of optical properties of TiO₂.     

On the current distribution at the channel – rib scale in polymer-electrolyte fuel cells

Experimental results based on in-situ measurements at the interface between the catalyst layer and the gas diffusion layer (GDL) on the cathode side at the channel – rib scale show an interesting variation of the current density distribution as the mean current density is increased. It is found that the local current density below the rib median axis corresponds to a maximum at low to intermediate mean current densities and to a minimum when the mean current density is sufficiently high. Also, the higher is the current density, the more marked the minimum. From numerical simulations, it is shown that the current density distribution inversion phenomenon is strongly correlated to the liquid water zone development within the GDL.     

准噶尔盆地南缘四棵树地区中浅层砾岩层识别刻画

准噶尔盆地南缘中、下组合构造普遍位于中浅层砾岩层之下,砾岩层具有横向展布范围广且不规则、纵横向速度变化大等特点,严重制约中、下组合目标的精细落实。因此,搞清砾岩层结构及分布特征,对下伏构造形态和高点位置的准确落实尤为重要。结合微测井、钻井、测井资料以及地震剖面对准噶尔盆地南缘四棵树地区中浅层砾岩层结构特征进行分析,对低速和高速砾岩层的顶底界面进行识别刻画,并分区、分段建立了砾岩层时深关系曲线,用于指导深度域下组合构造成图和叠前深度偏移中浅层速度模型的建立。实例应用证明,南缘四棵树地区中浅层砾岩层识别刻画对准确落实构造目标,提高地震剖面成像品质至关重要,同样也可以在准噶尔盆地南缘其他类似地区进行推广应用。     

In Silico Study on Tumor-Size-Dependent Thermal Profiles inside an Anthropomorphic Female Breast Phantom Subjected to Multi-Dipole Antenna Array

Electromagnetic hyperthermia as a potent adjuvant for conventional cancer therapies can be considered valuable in modern oncology, as its task is to thermally destroy cancer cells exposed to high-frequency electromagnetic fields. Hyperthermia treatment planning based on computer in silico simulations has the potential to improve the localized heating of breast tissues through the use of the phased-array dipole applicators. Herein, we intended to improve our understanding of temperature estimation in an anatomically accurate female breast phantom embedded with a tumor, particularly when it is exposed to an eight-element dipole antenna matrix surrounding the breast tissues. The Maxwell equations coupled with the modified Pennes’ bioheat equation was solved in the modelled breast tissues using the finite-difference time-domain (FDTD) engine. The microwave (MW) applicators around the object were modelled with shortened half-wavelength dipole antennas operating at the same 1 GHz frequency, but with different input power and phases for the dipole sources. The total input power of an eight-dipole antenna matrix was set at 8 W so that the temperature in the breast tumor did not exceed 42 °C. Finding the optimal setting for each dipole antenna from the matrix was our primary objective. Such a procedure should form the basis of any successful hyperthermia treatment planning. We applied the algorithm of multi for multi-objective optimization for the power and phases for the dipole sources in terms of maximizing the specific absorption rate (SAR) parameter inside the breast tumor while minimizing this parameter in the healthy tissues. Electro-thermal simulations were performed for tumors of different radii to confirm the reliable operation of the given optimization procedure. In the next step, thermal profiles for tumors of various sizes were calculated for the optimal parameters of dipole sources. The computed results showed that larger tumors heated better than smaller tumors; however, the procedure worked well regardless of the tumor size. This verifies the effectiveness of the applied optimization method, regardless of the various stages of breast tumor development.     

纸浆漂白成本在线计算模型构建及应用研究

能源和化学品价格的快速上涨使得制浆工作者尤为关注如何降低纸浆漂白成本。本研究构建了纸浆漂白成本的在线计算模型，并应用于典型ECF漂白技术（D₀EpPD₁），同时系统分析了影响纸浆漂白成本的主要因素和该模型在漂白工艺条件优化过程中的应用效果。研究发现，化学品成本是影响漂白成本的最主要因素，其次是能源成本、废水处理成本、清水成本；化学品中ClO₂用量对纸浆漂白成本的影响最大，其次是H₂O₂用量，NaOH用量影响最小；能源成本中蒸汽用量对纸浆漂白成本影响最大；而清水成本和废水处理成本影响最小；通过对化学品用量、漂白温度等漂白工艺条件的调整可降低纸浆漂白成本；该模型可实现对漂白工艺条件的优化或能源及化学品价格变化后纸浆漂白成本的在线预测，也是实现纸浆漂白系统全局优化、进一步降低漂白成本的基础。