The effect of charge on the dihydrogen storage capacity of Sc2–C6H6

The effect of charge on the dihydrogen storage capacity of Sc₂–C₆H₆ has been investigated at B3LYP-D3/6-311G(d,p) level. The neutral system Sc₂–C₆H₆ can store 8H₂ with gravimetric density of 8.76 wt %, and one H₂ dissociates and bonds atomically on the scandium atom. The adsorption of 8H₂ on Sc₂–C₆H₆ is energetically favorable below 155 K. The atom-centered density matrix propagation (ADMP) molecular dynamics simulations show that Sc₂–C₆H₆ can adsorb 3H₂ within 1000 fs at 300K. Compared with Sc₂–C₆H₆, the charged systems can adsorb more hydrogen molecules with higher gravimetric density, and all the H₂ are adsorbed in the molecular form. The gravimetric densities of Sc₂–C₆H₆⁺ and Sc₂–C₆H₆²⁺ are 9.75 and 10.71 wt%. Moreover, the maximum adsorption of charged systems are favorable in wider temperature range. Most importantly, the ADMP-MD simulations indicate that Sc₂–C₆H₆²⁺ can adsorb 6 hydrogen molecules within 1000 fs at 300K. It can be found that the gravimetric density (6.72 wt%) of Sc₂–C₆H₆²⁺ still exceeds the target of US Department of Energy (DOE) under ambient conditions.     

Real-time molecular characterization of air pollutants in a Hong Kong residence: Implication of indoor source emissions and heterogeneous chemistry

Due to the high health risks associated with indoor air pollutants and long-term exposure, indoor air quality has received increasing attention. In this study, we put emphasis on the molecular composition, source emissions, and chemical aging of air pollutants in a residence with designed activities mimicking ordinary Hong Kong homes. More than 150 air pollutants were detected at molecular level, 87 of which were quantified at a time resolution of not less than 1 hour. The indoor-to-outdoor ratios were higher than 1 for most of the primary air pollutants, due to emissions of indoor activities and indoor backgrounds (especially for aldehydes). In contrast, many secondary air pollutants exhibited higher concentrations in outdoor air. Painting ranked first in aldehyde emissions, which also caused great enhancement of aromatics. Incense burning had the highest emissions of particle-phase organics, with vanillic acid and syringic acid as markers. The other noteworthy fingerprints enabled by online measurements included linoleic acid, cholesterol, and oleic acid for cooking, 2,5-dimethylfuran, stigmasterol, iso-/anteiso-alkanes, and fructose isomers for smoking, C₂₈-C₃₄ even n-alkanes for candle burning, and monoterpenes for the use of air freshener, cleaning agents, and camphor oil. We showed clear evidence of chemical aging of cooking emissions, giving a hint of indoor heterogeneous chemistry. This study highlights the value of organic molecules measured at high time resolutions in enhancing our knowledge on indoor air quality.     

Indoor solid fuel use for heating and cooking with blood pressure and hypertension: A cross-sectional study among middle-aged and older adults in China

A cross-sectional study was conducted to investigate the impact of solid fuel use for heating and cooking on blood pressure (BP) and hypertension, using data from the China Health and Retirement Longitudinal Study (CHARLS). The primary fuels used for indoor heating and cooking were collected by questionnaires, respectively. Hypertension was defined based on self-report of physician's diagnosis, and/or measured BP, and/or anti-hypertensive medication use. Multivariate logistic regression models were constructed to assess the associations. Among 10 450 eligible participants, 68.2% and 57.2% used indoor solid fuel for heating and cooking, respectively. Compared with none/clean fuel users, solid fuel for heating was associated with elevated BP (adjusted β: 2.02, 95% CI: 1.04–3.01 for systolic BP; adjusted β: 1.36, 95% CI: 0.78–1.94 for diastolic BP) and increased risk of hypertension (adjusted odds ratio: 1.15, 95% CI: 1.03–1.29). The impact of indoor solid fuel for heating on BP was more evident in rural and north residents, and hypertensive patients. We did not detect any significant associations between solid fuel use for cooking and BP/hypertension. Indoor solid fuel use is prevalent in China, especially in the rural areas. Its negative impact on BP suggested that modernization of household fuel use may help to reduce the burden of hypertension in China.     

Ultrafast Electron–Phonon Coupling at Metal-Dielectric Interface

Energy transfer from photo-excited electrons in a metal thin film to the dielectric substrate is important for understanding the ultrafast heat transfer process across the two materials. Substantial research has been conducted to investigate heat transfer in a metal-dielectric structure. In this work, a two-temperature model in metal was used to analyze the interface electron and dielectric substrate coupling. An improved temperature and wavelength-dependent Drude–Lorentz model was implemented to interpret the signals obtained in optical measurements. Ultrafast pump-and-probe measurements on Au-Si samples were carried out, where the probe photon energy was chosen to be close to the interband transition threshold of gold to minimize the influence of non-equilibrium electrons on the optical response and maximize the thermal modulation to the optical reflectance. Electron-substrate interface thermal conductance at different pump laser fluences was obtained, and was found to increase with the interface temperature.     

电石冷却车间厂房通风模型的研究及应用

介绍了厂房通风模型在电石冷却车间改造中的应用,对比分析了改造前后冷却车间内的通风状态.模拟结果表明,冷却车间厂房内的总通风量增加了99.4％,通风温度降低了20.5 ℃,厂房结构和设备表面温度降低了50℃,能有效解决冷却车间内通风温度偏高的问题,提高电石转运率.根据通风模型进行改造后,电石冷却时间缩短25％,证明厂房通风模型准确可靠.     

Advances in the in vitro digestion and fermentation of polysaccharides

In vitro digestion models are widely used to study the structural changes, digestion and release of food components under simulated gastrointestinal conditions. As compared to the in vivo digestion tests, the in vitro digestion reflects the digestion and utilisation of food after ingestion and has the advantages of being time consuming, inexpensive, reproducible and free from moral and ethical restrictions. This study reviewed the current research studies on the in vitro simulated digestion of polysaccharides conducted in the last 5 years and focused on the oral, gastric and intestinal digestion models, with the aim of providing a basis for the further testing of changes in the content, structure and active ingredients of polysaccharides before and after digestion.     

基于大数据的电网公司安全生产数据分析平台设计

本文基于大数据视角设计了电网公司安全生产数据分析平台.通过平台挖掘分析电网公司实时运行数据信息,可全方位充分掌握公司安全生产状态,还可及时发现、共同解决不符合公司发展需要的相关问题,对于公司安全生产与长远稳定发展发挥着重要作用.通过研究表明,安全生产数据分析平台的设计可推动电网公司创新改革安全生产管理模式,切实整合信息资源,提高安全生产水平,实现精益化运营;而明确的平台发展定位与功能优化设计,可确保安全生产数据分析平台高效稳定运转.     

自然循环工况下离心泵阻力特性的实验研究与数值模拟

停转后泵的阻力特性对自然循环流量影响明显。为研究低流量自然循环工况下离心泵的阻力特性，设计了实验台架，对离心泵的正向压降、反向压降和损失系数进行了测量，实验雷诺数为2.0×10⁴～1.5×10⁵。实验表明：相同雷诺数下，反向压降明显高于正向压降；雷诺数大于8×10⁴时，损失系数基本保持不变，而低雷诺数下损失系数随雷诺数的降低有增大的趋势；基于实验得到了损失系数的经验关系式。采用CFD方法对离心泵的内部流场进行了模拟，计算表明：CFD方法能较好地预测损失系数，RNG k-ε模型与实验值的相对误差不超过10%；离心泵的压力损失主要集中在叶轮、导叶等结构的交界区域；正向与反向流动的流场分布存在显著区别；低雷诺数下局部流动更加不稳定。     

Influence of geosynthetic reinforcement on the stability of an embankment with rigid columns embedded in an inclined underlying stratum

Incompressible dipping substrata are commonly encountered in engineering practice. Compared to horizontal underlying strata, the inclined underlying stratum increase the risk of collapse of embankments reinforced with columns because it weakens the restraint of the column base. The objective of this study is to investigate the effectiveness of geosynthetics on improving the embankment stability when the underlying stratum is inclined. The influence of geosynthetic tensile stiffness on the ultimate surcharge and failure mechanism is studied. A deep-seated failure with column tilting occurs when the geosynthetic tensile stiffness is low, whereas a lateral sliding occurs when the geosynthetic tensile stiffness is high. To illustrate the contribution of geosynthetics, the distribution of the lateral pressures acting on the columns is analyzed.