Concentration fluctuation caused by reaction-diffusion coupling near catalytic active sites

The coupling of reaction and diffusion between neighboring active sites in the catalyst pore leads to the spatiotemporal fluctuation in component concentration, which is very important to catalyst performance and hence its optimal design. Molecular dynamics simulation with hard-sphere and pseudo-particle modeling has previously revealed the non-stochastic concentration fluctuation of the reactant/product near isolated active site due to such coupling, using a simple model reaction of A → B in 2D pores. The topic is further developed in this work by studying the concentration fluctuation due to such coupling between neighboring active sites in 3D pores. Two 3D pore models containing an isolated active site and two adjacent active sites were constructed, respectively. For the isolated site, the concentration fluctuation intensifies for larger pores, but the product yield decreases, and for a given pore size, the product yield reaches a peak at a certain reactant concentration. For two neighboring sites, their distance (d) is found to have little effect on the reaction, but significant to the diffusion. For the same reaction competing at both sites, larger d leads to more efficient diffusion and better overall performance. However, for sequential reactions at the two sites, higher overall performance presents at a smaller d. The results should be helpful to the catalyst design and reaction control in the relevant processes.     

Formation of Sn filled CNTs nanocomposite: Study of their magnetic,dielectric properties and enhanced microwave absorption performance at gigahertz frequencies

The Simplistic formation, advantageous configuration, non-colossal magnetoresistance and broadband absorption are important parameters for microwave absorbent materials. In this study, a core-shell nanocomposite comprising of Sn-filled carbon nanotubes (Sn/CNTs) was prepared by arc discharge method. The microstructure, morphology and surface composition of Sn/CNTs-based core-shell nanocomposites were characterized in detail. Sn/CNTs nanocomposite showed a magnetic signal due to the broken bonds and defects at interfaces in Sn/CNTs. The weak ferromagnetism was found to be helpful in improving magnetic permeability in the Sn/CNTs which confirms its role as a magnetic loss material under incident electromagnetic wave. Sn-filled CNTs revealed an appropriate value of dielectric constant, which plays an important role in impedance matching upon incident electromagnetic wave. The composite of Sn-CNTs and paraffin with a 50 wt % loading showed the lowest reflection loss (RL) of ?43.87 dB at 10 GHz, with a wide effective absorption band (RL ≤ ?10 dB) of 3 GHz in thickness of 2.3 mm. This enhanced performance is attributed to the combined effect of the conduction loss in one-dimensional core-shell architecture, the interfacial loss Sn-CNT interface, the magnetic loss due to defects-induced ferromagnetism in Sn shell, and in the carbon-containing atomic layers of CNTs.     

A kinetic model involving oxidation and volatilization in SiC-B4C-xAl2O3 ceramics system

In this paper, a new kinetic model considering both oxidation and volatilization kinetics is established and applied to analyze the oxidation of SiC-B₄C-xAl₂O₃ ceramics and other systems in various oxidation conditions. The effects of diffusion area and volume changes during the oxidation process are considered in this model. The physical meaning of each parameter in this model is explicit and simple. According to this model, the diffusion coefficient of species and the corresponding diffusion activation energy are easily available. The practicability of this model is well verified by the experimental data of SiC-B₄C-xAl₂O₃ and other systems oxidized under different conditions. In addition, the practice shows that the model is applicable not only to the systems where oxidation and volatilization coexist, but also to the system where only oxidation plays a major role. We hope the model proposed in this work can be used in other materials with more complex environments.     

Recent insights in synthesis and energy storage applications of porous carbon derived from biomass waste: A review

In the last few decades, global warming, environmental pollution, and an energy shortage of fossil fuel may cause a severe economic crisis and health threats. Storage, conversion, and application of regenerable and dispersive energy would be a promising solution to release this crisis. The development of porous carbon materials from regenerated biomass are competent methods to store energy with high performance and limited environmental damages. In this regard, bio-carbon with abundant surface functional groups and an easily tunable three-dimensional porous structure may be a potential candidate as a sustainable and green carbon material. Up to now, although some literature has screened the biomass source, reaction temperature, and activator dosage during thermochemical synthesis, a comprehensive evaluation and a detailed discussion of the relationship between raw materials, preparation methods, and the structural and chemical properties of carbon materials are still lacking. Hence, in this review, we first assess the recent advancements in carbonization and activation process of biomass with different compositions and the activity performance in various energy storage applications including supercapacitors, lithium-ion batteries, and hydrogen storage, highlighting the mechanisms and open questions in current energy society. After that, the connections between preparation methods and porous carbon properties including specific surface area, pore volume, and surface chemistry are reviewed in detail. Importantly, we discuss the relationship between the pore structure of prepared porous carbon with surface functional groups, and the energy storage performance in various energy storage fields for different biomass sources and thermal conversion methods. Finally, the conclusion and prospective are concluded to give an outlook for the development of biomass carbon materials, and energy storage applications technologies. This review demonstrates significant potentials for energy applications of biomass materials, and it is expected to inspire new discoveries to promote practical applications of biomass materials in more energy storage and conversion fields.     

Experimental research on combined effect of obstacle and local spraying water fog on hydrogen/air premixed explosion

In order to reveal the mechanism of water fog explosion suppression and research the combined effect of water fog and obstacle on hydrogen/air deflagration, multiple sets of experiments were set up. The results show that the instability of thermal diffusion under lean combustion conditions is the main influencing factor of hydrogen/air flame surface instability, and the existence of water fog will aggravate the hydrogen/air flame surface instability. When obstacle is not considered, 8 μm, 15 μm, 30 μm water fog can significantly reduce the flame velocity and explosion overpressure of hydrogen/air, 45 μm fine water fog plays the opposite role. When considering the relative position of the water fog release position and the obstacle, the 8 μm, 15 μm, 30 μm water fog has almost no suppression effect when released near the obstacle, but a significant suppression effect occur, when using the 45 μm water fog. In the field of theoretical research, the research results not only provide an experimental basis for the fine water fog to reduce the consequences of hydrogen explosion accidents, and the optimal diameter range used by the water fog, but also provide experimental reference for the numerical simulation of hydrogen/air explosion suppression in semi-open space, and promote the development of hydrogen explosion suppression theory. In terms of engineering applications, this study can provide a theoretical basis for the layout of fire fighting equipment in the engine room of nuclear power plants or hydrogen-powered ships.     

基于三种干旱指标的朝阳市干旱特征分析

旱灾具有出现频率高、持续时间长、波及范围广等特点，本文运用降水距平百分率、Z指数、SPI标准化降水指数，对朝阳地区50a（1969～2018）干旱特征进行分析。结果表明：Z指数与SPI标准化降水指标得到的朝阳地区干旱特征情况基本一致，能较好地反映出该地区的干旱特征，朝阳地区1969～2018年自然灾害频繁发生，严重干旱年份主要集中在1980、1981、1982 年，与实际相符。     

采用QuEChERS结合UHPLC-MS/MS定量分析热加工肉制品中的三种胺类物质

本文采用QuEChERS技术结合超高效液相色谱-串联质谱（UHPLC-MS/MS）技术建立同时检测丙烯酰胺（AA）、亚硝胺（NAs）和杂环胺（HAAs）含量的方法，用于分析热加工肉制品中产生的胺类物质。结果表明:该方法检测出的三类成分20种胺类物质在相应浓度范围内显示出良好的线性关系（R2>0.991），检测限和定量限分别为0.01~1.6 ng/g和0.03~4.8 ng/g，日内回收率介于66.3%~116.5%之间，日内精密度介于0.78%~9.0%之间。每个胺类物的5×LOQ加标水平计算的日间精度范围为3.4%~9.4%。该方法应用于煎烤的四种肉制品中AA、NAs和HAAs的分析，共检测出9种胺类物质，浓度范围为0.03~31.26 ng/g。     

Metal chlorides-promoted ammonia absorption of deep eutectic solvent

Ammonia is considered as a promising hydrogen or energy carrier. Ammonia absorption or adsorption is an important aspect for both ammonia removal, storage and separation applications. To these ends, a wide range of solid and liquid sorbents have been investigated. Among these, the deep eutectic solvent (DES) is emerging as a promising class of ammonia absorbers. Herein, we report a novel type of DES, i.e., metal-containing DESs for ammonia absorption. Specifically, the NH₃ absorption capacity is enhanced by ca. 18.1–36.9% when a small amount of metal chlorides, such as MgCl₂, MnCl₂ etc., are added into a DES composed of resorcinol (Res) and ethylene glycol (EG). To our knowledge, the MgCl₂/Res/EG (0.1:1:2) DES outperforms most of the reported DESs. The excellent NH₃ absorption performances of metal–containing DESs have been attributed to the synergy of Lewis acid–base and hydrogen bonding interactions. Additionally, good reversibility and high NH₃/CO₂ selectivity are achieved over the MgCl₂/Res/EG (0.1:1:2) DES, which enables it to be a potential NH₃ absorber for further investigations.     

Preparation and electrical conductivity of KTaO3-based proton conductor

KTaO₃ and KTa_0.9M_0.1O_3-α (M = Ti, Hf, Zr) were prepared by solid state reaction at 1330 °C for 2 h and characterized by x-ray diffraction. The AC impedance technique was used to analyze the sintered solid electrolytes in 1%H₂/Ar and dry air atmosphere. Among KTa_0.9M_0.1O_3-α (M = Ti, Hf, Zr), KTa_0.9Zr_0.1O_3-α displays the highest conductivity in 1%H₂/Ar atmosphere. The carriers transport numbers of solid electrolytes were measured by concentration cell method. The results show KTa_0.9Zr_0.1O_3-α is a pure proton conductor below 525 °C. Stability tests show that KTa_0.9Zr_0.1O_3-α has good chemical stability against CO₂ and H₂O.     

Green Measurements for Software Product Based on Sustainability Dimensions

Software is a central component in the modern world and vastly affects the environment’s sustainability. The demand for energy and resource requirements is rising when producing hardware and software units. Literature study reveals that many studies focused on green hardware; however, limited efforts were made in the greenness of software products. Green software products are necessary to solve the issues and problems related to the long-term use of software, especially from a sustainability perspective. Without a proper mechanism for measuring the greenness of a particular software product executed in a specific environment, the mentioned benefits will not be attained. Currently, there are not enough works to address this problem, and the green status of software products is uncertain and unsure. This paper aims to identify the green measurements based on sustainable dimensions in a software product. The second objective is to reveal the relationships between the elements and measurements through empirical study. The study is conducted in two phases. The first phase is the theoretical phase, where the main components, measurements and practices that influence the sustainability of a software product are identified. The second phase is the empirical study that involved 103 respondents in Malaysia investigating current practices of green software in the industrial environment and further identifying the main sustainability dimensions and measurements and their impact on achieving green software products. This study has revealed seven green measurements of software product: Productivity, Usability, Cost Reduction, Employee Support, Energy Efficiency, Resource Efficiency and Tool Support. The relationships are statistically significant, with a significance level of less than 0.01 (p = 0.000). Thus, the hypothesised relationships were all accepted. The contributions of this study revolve around the research perspectives of the measurements to attain a green software product.