Coupling effects of water content,temperature, oxygen density,and polytetrafluoroethylene loading on oxygen transport through ionomer thin film on platinum surface in catalyst layer of proton exchange membrane fuel cell

In this work, coupling effects of water content, temperature, oxygen density, and polytetrafluoroethylene (PTFE) loading on oxygen transport through an ionomer thin film on a platinum surface in a catalyst layer of a proton exchange membrane (PEM) fuel cell are investigated using molecular dynamics approach. Taguchi orthogonal algorithm is employed to comprehensively analyze the coupling effects in a limited number of cases. It is found that the effect of operation temperature is the weakest among the four factors, which has the smallest effect index 14.4. Coupling effects including the PTFE loadings on the oxygen transfer through the ionomer thin film is uncovered. Less PTFE loadings should be beneficial for the oxygen transfer. The chemical potential gradient is considered as the major driven force for the oxygen transport through the ionomer thin film, and oxygen density is the dominating factor, significantly affecting the chemical potential in the thin film.     

Numerical simulation of a PEM fuel cell: Effect of tortuosity parameters on the construction of polarization curves

Fuel cells (PEMFCs) are considered a clean alternative for the production of electricity. To improve their efficiency, it is necessary to understand the transport phenomena that determine their performance. This work analyzes the effective diffusion coefficients in the gas diffusion and catalyst layers (GDL and CL, respectively) based on theories such as effective medium approximation and percolation theory of a 3D multiphase nonisothermal model of a single channel PEMFC. We calculate polarization curves with different effective diffusion models and tortuosity factors m, n using OpenFOAM. The best model that approaches to experimental data is the Tomadakis-Sotirchos model with n = 4.0. The exponent m that represents the tortuosity due to the geometry has a high impact on the polarization curve construction compared to the exponent n. High values of diffusibility do not mean high values of current densities showing that there are other phenomena involved, such as water flooding.     

Evaluation of a sulfidogenic system fed with microalgal biomass of Chlorella pyrenoidosa as an electron donor: Sulfate reduction kinetics

In this study, a sulfidogenic reactor fed with microalgal biomass of Chlorella pyrenoidosa as an electron donor was operated in a continuous mode. This study evaluated the influence of various initial sulfate concentration from 1.0 to 2.5 g/L on anaerobic sulfate reduction kinetics by a sulfidogenic enrichment culture predominantly Desulfovibrio sp. VSV2. It was observed that volumetric sulfate reduction rate (VSRR) was consistently increasing with an increase in volumetric sulfate loading rate (VSLR) across the retention time of 7–10 days. For a retention time of 7 days, the maximum VSRR was noted as 0.0050 g/(L.h) with a corresponding VSLR of 0.0089 g/(L.h). When retention time was maintained for 10 days, a maximum sulfate reduction of 65% and a maximum bacterial concentration of 1.632 g/L were achieved for an initial sulfate concentration of 1.5 g/L. It was concluded that VSLR facilitated through both dilution rate and initial sulfate concentration had a significant influence over sulfate reduction kinetics. The results of the study suggested that the microalgal-fed sulfidogenic system could be effectively employed for reduction of sulfate from sulfate-rich wastewater.     

Adenine-functionalized conjugated polymer as an efficient photocatalyst for hydrogen evolution from water

Conjugated polymers have emerged as a promising class of organic photocatalysts for photocatalytic hydrogen evolution from water splitting due to their adjustable chemical structures and electronic properties. However, developing highly efficient organic polymer photocatalysts with high photocatalytic activity for hydrogen evolution remains a significant challenge. Herein, we present an efficient approach to enhance the photocatalytic performance of linear conjugated polymers by modifying the surface chemistry via introducing a hydrophilic adenine group into the side chain. The adenine unit with five nitrogen atoms could enhance the interaction between the surface of polymer photocatalyst and water molecules through the formation of hydrogen bonding, which improves the hydrophilicity and dispersity of the resulting polymer photocatalyst in the photocatalytic reaction solution. In addition, the strong electron-donating ability of adenine group with plentiful nitrogen atoms could promote the separation of light-induced electrons and holes. As a result, the adenine-functionalized conjugated polymer PF6A-DBTO2 shows a high photocatalytic activity with a hydrogen evolution rate (HER) of 25.21 mmol g^?1 h^?1 under UV-Vis light irradiation, which is much higher than that of its counterpart polymer PF6-DBTO2 without the adenine group (6.53 mmol g^?1 h^?1). More importantly, PF6A-DBTO2 without addition of a Pt co-catalyst also exhibits an impressive HER of 21.93 mmol g^?1 h^?1 under visible light (λ > 420 nm). This work highlights that it is an efficient strategy to improve the photocatalytic activity of conjugated polymer photocatalysts by the modification of surface chemistry.     

汉江上游干支流沉积物细菌群落多样性和影响因素

为了解汉江上游干支流沉积物细菌多样性以及确定性过程和随机性过程在沉积物细菌群落构建过程中的相对重要性,基于Illumina高通量测序技术,分析了环境因子对细菌群落组成的影响,采用非度量多维尺度(NMDS)排序探究了季节之间沉积物细菌群落的差异,并结合中性群落模型和标准化随机率量化了确定性过程和随机过程对群落构建的影响。结果表明:汉江上游及其支流细菌群落主要由变形菌门(Proteobacteria)、拟杆菌门(Bacteroidetes)、蓝藻门(Cyanophyta)、浮霉菌门(Planctomycetes)和酸杆菌门(Acidobacteria)等组成；细菌群落在不同季节有显著差异；地理距离和环境因子对细菌群落结构影响较小,确定性过程并未在细菌群落组成中起到主导作用；随机过程很大程度上影响了群落在秋季和春季的组成,是沉积物细菌群落构建的主导因素。     

CFETR水冷陶瓷增殖剂包层模块产氚率实验验证

水冷陶瓷增殖剂（WCCB）包层作为中国聚变工程试验堆（CFETR）候选包层之一，承担着氚增殖、核热提取、屏蔽等重要涉核功能，其中子学设计的可靠性直接影响CFETR氚自持目标的实现。为验证中子学设计工具，即MCNP和FNEDL3.0数据库，在WCCB包层中子学设计中的可靠性，基于研制出的WCCB包层模块，在DT中子环境下开展中子学实验，对以产氚率（TPR）为代表的中子学参数进行了模拟值（C）和实验值（E）对比分析。结果表明，模块中轴线位置处TPR的C/E为0.97?1.08，而模块边缘位置处TPR的C/E为0.65?0.82；模块钛酸锂层边缘区197Au（n，γ）198Au反应率的C/E为0.72?0.90，表明模块边缘区存在非期望的散射中子，导致该区TPR模拟值和实验值偏离较大。     

Thermal transport and chemical conversion in single reacting sorbent particles

The effects of particle size and carbon dioxide concentration on chemical conversion in engineered spherical particles undergoing calcium oxide looping are investigated. Particles are thermochemically cycled in a furnace under different carbon dioxide concentrations. Changes in composition due to chemical reactions are measured using thermogravimetric analysis. Gas composition at the furnace exit is evaluated with mass spectroscopy. A numerical model of thermal transport phenomena developed previously is adapted to match the physical system investigated in the present study. The model is used to elucidate effects of reacting medium characteristics on particle temperature and reaction extent. Experimental and numerical results show that (1) an increase in particle size results in a decrease in carbonation extent, and (2) the carbonation step consists of fast and slow reaction regimes. The reaction rates in the fast and slow carbonation regimes increase with increasing carbon dioxide concentration. The effect of carbon dioxide concentration and the distinction between the fast and slow regimes become more pronounced with increasing particle size.     

Advanced Understanding of the Electron Transfer Pathway of Cytochrome P450s

Cytochrome P450s are heme-thiolate enzymes that participate in carbon source assimilation, natural compound biosynthesis and xenobiotic metabolism in all kingdoms of life. P450s can catalyze various reactions by using a wide range of organic compounds, thus exhibiting great potential in biotechnological applications. The catalytic reactions of P450s are driven by electron equivalents that are sourced from pyridine nucleotides and delivered by cognate or matching redox partners (RPs). The electron transfer (ET) route from RPs to P450s involves one or more redox center-containing domains. As the rate of ET is one of the main determinants of P450 efficacy, an in-depth understanding of the P450 ET pathway should increase our knowledge of these important enzymes and benefit their further applications. Here, the various P450 RP systems along with current understanding of their ET routes will be reviewed. Notably, state-of-the-art structural studies of the two main types of self-sufficient P450 will also be summarized.     

农药沉积利用率喷雾指示剂诱惑红的酶标仪测定方法

诱惑红是一种水溶性染料,近年来被用作农药沉积利用率测定的指示剂。诱惑红的检测方法为高效液相色谱法和分光光度法。高效液相色谱法需要专门的分析仪器,且价格昂贵,可见分光光度计法操作繁琐,试剂用量大,耗时长,均不适宜田间快速高效测定。笔者发展了诱惑红的酶标仪测定方法,简单高效,可批量检测多个样品,且准确度和精密度高,线性关系良好,514 nm检测波长下不受其他农药影响,并应用于玉米无人飞机喷雾场景下农药雾滴在玉米冠层的沉积利用率测定。