Three-dimensional and anisotropic numerical analysis of a PEM fuel cell

In this study, the effects of cell temperature and relative humidity on charge transport parameters are numerically analyzed. In order to perform this analysis, three-dimensional and anisotropic numerical models are developed. The numerical models are integrated into the experimental values for anisotropic electrical conductivities, as depending on cell temperature and relative humidity, that were obtained from our previous study. The achieved results indicate that the values of current densities in the in-plane direction increase with increasing cell temperature and relative humidity, while the current densities reach a maximum in the rib regions for both the numerical model at the through-plane direction. The behaviors of electrolyte potentials are similar with changes in the cell temperature and relative humidity. In addition, the cathode electrical potentials in both the in-plane direction and through-plane direction do not change to a considerable amount with increasing cell temperature and relative humidity.     

From modification to mechanism: Supercritical hydrothermal synthesis of nano-zirconia

Nano-zirconia has been widely applied due to its excellent physical and chemical properties (e.g., high strength, corrosion resistance, oxygen ion conductivity). Existing preparation methods of nano-zirconia tend to require long reaction time, and the sizes of final particles are large with uneven distributions. Sub-/supercritical hydrothermal synthesis of nanoparticles is favored by researchers owing to controllable reaction process, uniform particle size distribution, good reproducibility, short reaction time, high conversion rate and harmlessness to environment. In this paper, the characteristics and mechanisms of dissolution, crystallization and growth of nano-zirconia during sub-/supercritical hydrothermal synthesis are systematically reviewed. The influences of process and material parameters on the size and purity of particles are analyzed. Then, the reaction mechanism and product phase transition mechanism during hydrothermal synthesis of zirconia are summarized to provide a theoretical reference for the oriented preparation. Finally, the improvement and commercialization of sub-/supercritical hydrothermal synthesis technology are evaluated, and the future research topics are proposed.     

Nanoarchitectonics of CdS/ZnSnO3 heterostructures for Z-Scheme mediated directional transfer of photo-generated charges with enhanced photocatalytic performance

The construction of heterostructure is an effective strategy to synergetically couple wide-band-gap with the narrow-band-gap semiconductor with a mediate optical property and charge transfer capability. Herein, the Z-Scheme CdS/ZnSnO₃ (CdS/ZSO) heterostructures were constructed by anchoring CdS nanoparticles on the surface of double-shell hollow cubic ZnSnO₃ via the hydrothermal method. The direct recombination of excited electrons in the conduction band (CB) of ZSO and holes in the valence band (VB) of CdS via d-p conjugation at the interface greatly accelerated the internal electric field (IEF). The transfer mode follows the Z-Scheme mechanism, where CdS/ZSO synergistically facilitates the efficient charges transfer from CdS to ZnSnO₃ through the intimate interface. Here, ZnSnO₃ and CdS serve as an oxidation photocatalyst (OP) and reduction photocatalyst (RP), respectively. Thus, it can promote synergistically the oxidation half-reaction and reduction half-reaction of H₂ evolution. The density-functional theory (DFT) calculation further confirms the charges transfer from CdS to ZnSnO₃. The hydrogen evolution of 5% CdS/ZSO heterostructure reached 1167.3 μmol g^?1, which was about 8 and 3 folds high compared to pristine ZSO (141.9 μmol g^?1) and CdS (315.5 μmol g^?1), during 3 h of reaction respectively. Furthermore, the CdS/ZSO heterostructures could suppress the photo corrosion of CdS, resulting in its high stability. This work is expected to enlighten the rational design of heterostructure for OP and RP to promote the hybrid heterostructures photocatalytic H₂ evolution.     

Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl₃) and hexamethyldisilazane (HN(SiMe₃)₂) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl₃ and HN(SiMe₃)₂ to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl₃ and HN(SiMe₃)₂ alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl₃ with more heat released compared to that for the introduction of HN(SiMe₃)₂. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions.     

Evaluation of Scale and Corrosion Inhibition of Modified Polyaspartic Acid

Amino acid modified polyaspartic acids were evaluated as calcium-scale inhibitors. Feasibility of scale inhibition experiments was analyzed by molecular dynamics simulation and Gaussian optimization, and the scale inhibition mechanism was theoretically analyzed. Scale inhibition performance was studied by scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, static scale inhibition experiments, and electrochemical performance testing, which provided an experimental basis for the molecular dynamics simulation. The experimental results showed that Arg-SA-PASP has better scale inhibition and corrosion inhibition performance than His-SA-PASP. The scale inhibition effect increased with increasing concentration. Electrochemical tests indicated that Arg-SA-PASP is an excellent scale and corrosion inhibitor.     

A PV installation framework concerning electricity variable rates

This paper assesses building integrated photovoltaic (BIPV) installation parameters based on the profit generated by a photovoltaic system. It takes into consideration a home building case study and it investigates its monthly energy demand based on a specific location and a typical occupancy. The capability of a photovoltaic (PV) system to generate more profit occurs when solar intensity is maximum while the electric energy price is at its highest rate. The paper traces a framework that encompasses different aspects such as energy demand, energy price, and solar intensity. This framework identifies profit alternatives according to different installation parameters. A tool that predicts a PV installation hourly electric energy production is developed. The profit generated is simulated for home buildings located in Beirut (Lebanon) and Xihua (China), both at 33.8° latitude north. The paper highlights a new approach for BIPV installations, taking into account weather conditions, energy demand, and electric energy utility rates.     

Physicochemical and technological properties of beef burger as influenced by the addition of pea fibre

This study aimed to evaluate the physicochemical characteristics and sensory attributes of beef burgers with the addition of pea fibre as a partial substitute of meat or fat. Three formulations were prepared: control (CON) – similar to the commercial formulation; fibre/less meat (FLM)—5% meat reduction and addition of 1% pea fibre; fibre/less fat (FLF)—7% fat reduction and addition of 1% pea fibre. Non-significant differences were obtained for pH, colour parameters (L* and b*), texture profile, cooking loss and size reduction among formulations. Moreover, sensory analysis with consumers of beef burgers did not indicate differences among the formulations for all the analysed attributes. Therefore, pea fibre is a promising partial replacer for meat and fat in beef burgers due to the preservation of technological parameters and sensory acceptance.     

Boosting the photoconversion efficiency of TiO2 nanotubes using UV radiation-assisted anodization as a prospective method: An efficient photocatalyst for eliminating resistant organic pollutants

1D TiO₂ nanotube arrays (TNTs), as versatile nanostructures, have attracted a considerable amount of scientific attention, particularly in photocatalytic applications. In the present study, UV radiation-assisted anodization method with various irradiation times (30–120 min) was employed as a preferable approach to fabricating TNTs with remarkable optical property and photocatalytic activity. The results revealed that in situ irradiation not only improved the surface area (from 30.10 to 48.5 m²), but also increased the roughness factor (from 77.27 to 124.73). Furthermore, UV radiation had a significant impact on optical property and by altering elemental composition, led to a red shift in absorption edge (from 3.2 to 1.4eV). Meanwhile, voltammetric experiments showed that 120 min UV radiation during anodization was able to substantially cause a surge of the photocurrent density and the photoconversion efficiency of TNTs from 0.15 to 0.55 mA cm⁻² and from 13% to 40%, respectively. As a consequence of the improvement in optical property and photochemical features, anodic TNTs fabricated under 120 min UV radiation could increase the photocatalytic degradation of 2,4-DCP from 75% to 100%. Moreover, the kinetics study showed that all photocatalytic reactions followed zero-order kinetics which rate constant over the synthesized TNTs under 120 min UV radiation was about 5.1 times greater than that of conventionally fabricated TNTs. Likewise, the pathway of photocatalytic degradation and the proportion of reactive species in this process were assessed by scavenging tests. The results confirmed that holes (h⁺) play the main role that 53% of photocatalytic degradation occurred via both direct and indirect reactions with h⁺ species. The rest of the degradation pathways were also allocated to e⁻ and ^•O₂⁻ species by accounting for 37% and 10%, respectively.     

高温氢工质热物理性质计算分析

氢工质在新能源与动力、航天推进、化工材料等领域有着广泛应用。通过开展高温氢工质热力学与输运性质研究，建立了原子态氢、分子态氢、热解平衡态氢的热物理性质计算模型，开发了热物性计算程序Prop_H_H2，适用范围为温度100~3 500 K、压力104~5×107 Pa 。验证表明，Prop_H_H2在适用范围内计算氢工质的物性参数合理可靠，在温度200~3 000 K、压力104~107 Pa范围内，程序预测值更加准确，相对偏差在±5%左右。本研究可为氢工质相关的航天推进、应用物理学、能源动力等行业的科研和应用提供支持借鉴。     

Sensitivity analysis of Johnson-Cook material parameters on adiabatic shear in different directions

ABSTRACT

This study investigates the effects of strain, strain rates, and forming directions (RD-rolling direction, TD-transverse direction, and ND-normal direction) on adiabatic shear, via dynamic impact compression tests using the Split Hopkinson Pressure Bar (SHPB) apparatus. A modified Johnson-Cook (J-C) constitutive model is proposed, which used to analyse the influence of the constitutive parameters on the sensitivity of adiabatic shear, employing a finite element software. The different sensitivities of adiabatic shear under different directions are explained by combining microscopic analysis and results from mechanical responses. The results show that the sensitivity of adiabatic shear can be related to the time of stress collapse in the following trend: ND?>?TD?>?RD; the sensitivities of these constitutive parameters on adiabatic shear are calculated and compared.