Direct synthesis and melt‐drawing property of aramids by bulk polycondensation of isophthalic acid with m‐phenylenediamine and 3,4′‐oxydianiline

The direct polycondensation of isophthalic acid with a mixture of 1,3‐phenylenediamine (m‐PDA) and 3,4′‐diaminodiphenyl ether (3,4′‐ODA) could be successfully performed in the bulk to afford the expected co‐aramids for the first time. The co‐aramids with low molecular weights and 3,4′‐ODA contents higher than 50 mol% display excellent thermoplasticity and melt‐drawing property. Indeed, several meters long filaments with 12 μm diameter could be produced. In addition, the environmentally friendly method for the preparation of aramid materials as well as the demonstration of their filament formation will open up the new possibility to prepare aramid fibers. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012     

Impact of N on the atomic-scale Sb distribution in quaternary GaAsSbN-capped InAs quantum dots

The use of GaAsSbN capping layers on InAs/GaAs quantum dots (QDs) has recently been proposed for micro- and optoelectronic applications for their ability to independently tailor electron and hole confinement potentials. However, there is a lack of knowledge about the structural and compositional changes associated with the process of simultaneous Sb and N incorporation. In the present work, we have characterized using transmission electron microscopy techniques the effects of adding N in the GaAsSb/InAs/GaAs QD system. Firstly, strain maps of the regions away from the InAs QDs had revealed a huge reduction of the strain fields with the N incorporation but a higher inhomogeneity, which points to a composition modulation enhancement with the presence of Sb-rich and Sb-poor regions in the range of a few nanometers. On the other hand, the average strain in the QDs and surroundings is also similar in both cases. It could be explained by the accumulation of Sb above the QDs, compensating the tensile strain induced by the N incorporation together with an In-Ga intermixing inhibition. Indeed, compositional maps of column resolution from aberration-corrected Z-contrast images confirmed that the addition of N enhances the preferential deposition of Sb above the InAs QD, giving rise to an undulation of the growth front. As an outcome, the strong redshift in the photoluminescence spectrum of the GaAsSbN sample cannot be attributed only to the N-related reduction of the conduction band offset but also to an enhancement of the effect of Sb on the QD band structure.     

离子液体的溶液热力学模型研究进展

离子液体是近年来发展起来的一种绿色介质,在化工反应和分离过程中具有广泛的应用前景。离子液体的溶液热力学性质和相平衡数据是其相关工艺过程设计的基础。本文从如下几个方面综述了离子液体溶液热力学模型的研究进展,即溶液热力学研究方法、溶液热力学模型的构建、离子液体的结构和分子间作用力、离子液体的溶液热力学模型及其在相平衡计算中的应用。重点分析了适用于离子液体溶液热力学性质计算的状态方程模型和过量Gibbs自由能模型或活度系数模型,离子液体的电解质和非电解质溶液模型,以及这些模型对ILs结构、氢键和静电作用的处理方法。分析了这些模型的优缺点,并对今后离子液体的溶液热力学研究提出了建议。     

几种多态含能材料构型转变的DFT研究

为了从分子层面上对含能材料不同分子构型间的转变情况有一个直观认识,借助Gaussian 09软件,运用密度泛函理论(DFT),采用TS算法搜寻β-RDX→α-RDX、γ-HMX→β-HMX、ε-CL-20→β-CL-20及β-FOX-7→α-FOX-7在分子构型转变过程中的过渡态结构,确定了它们的构型转变过程;并通过计算吉布斯自由能随构型转变路径的变化,比较多态含能材料分子构型转变的难易程度。结果表明,由亚稳晶型到稳定晶型的转变首先会越过过渡态,克服自由能能垒转变为亚稳态结构,实现β-RDX→α-RDX、γ-HMX→β-HMX、ε-CL-20→β-CL-20及β-FOX-7→α-FOX-7分子构型转变分别需要克服的自由能能垒分别为5.25、22.21、9.69和10.24kJ/mol。因此,常温常压下β-RDX→α-RDX、γ-HMX→β-HMX、ε-CL-20→β-CL-20及β-FOX-7→α-FOX-7构型转变的难度大小排序为:HMX>>FOX-7>CL-20>RDX。     

Passive micromixer with baffles distributed on both sides of microchannels based on the Koch fractal principle

Since the beginning of the 21st Century, the development of microfluidic chip technology has been very rapid and has attracted the attention of more and more scholars. As an important part of the microfluidic chip, the performance of the micromixer is critical. The fractal structure in the microchannels helps to improve the mixing performance of the micromixer and improve the mixing efficiency of the micromixer. The research results of other scholars are of great significance to the research of the present paper, which mainly studies the effect of changing the baffle state on the mixing efficiency of the micromixer based on the Koch fractal principle. Through simulation analysis, it was found that the mixing efficiency of the baffles distributed on both sides of the microchannel was higher than the mixing efficiency of the baffles distributed on the microchannel side. When the distance between adjacent baffles was divided into 0.15, 0.25 and 0.35 mm, simulated data suggested that the baffle distance of 0.15 mm was best. Increasing the number of baffles from six to eight groups increased the mixing path of the fluid in the microchannel and improved mixing efficiency. A comparison of mixing efficiencies of the 0°, 15° and 30° baffle angles revealed that very significant improvement in mixing efficiency was obtained at 30°. © 2019 Society of Chemical Industry     

Enhanced transduction coefficient in piezoelectric PZT ceramics by mixing powders calcined at different temperatures

Large transduction coefficient ($d_{33}\times g_{33}$) is difficult to obtain in piezoelectric ceramics because these two parameters show opposite trends with compositional modifications. Herein, the Pb(Zr_0.53Ti_0.47)O₃ ceramic powders were calcinated under different temperatures (A:830 °C, B:860 °C, and C:890 °C), and then mixed together according to different weight ratios (1A:1B:1C, 1A:2B:1C, 1A:2B:3C and 3A:2B:1C) for ceramics preparation. Both d₃₃ and g₃₃ are improved successfully, and the transduction coefficient with the weight ratio of 1A:2B:3C reaches up to 17,500 × 10⁻¹⁵ m²/N, which is 60 % higher than that with the powders calcinated under 830 °C, and at least twice those of commercial PZT-4, PZT-5A and PZT-8 ceramics. The improved transduction coefficient is owing to the enhanced piezoelectric constant and spontaneous polarization resulted from the increased grain size, relative density and the fraction of tetragonal phase. These results indicate that this is a simple but effective way to tailor the transduction coefficient in piezoelectric ceramics.     

Integrated process design,scheduling, and model predictive control of batch processes with closed-loop implementation

Simultaneous evaluation of multiple time scale decisions has been regarded as a promising avenue to increase the process efficiency and profitability through leveraging their synergistic interactions. Feasibility of such an integral approach is essential to establish a guarantee for operability of the derived decisions. In this study, we present a modeling methodology to integrate process design, scheduling, and advanced control decisions with a single mixed-integer dynamic optimization (MIDO) formulation while providing certificates of operability for the closed-loop implementation. We use multi-parametric programming to derive explicit expressions for the model predictive control strategy, which is embedded into the MIDO using the base-2 numeral system that enhances the computational tractability of the integrated problem by exponentially reducing the required number of binary variables. Moreover, we apply the State Equipment Network representation within the MIDO to systematically evaluate the scheduling decisions. The proposed framework is illustrated with two batch processes with different complexities.     

The influence of activated carbon as an additive in anode materials for low temperature solid oxide fuel cells

The effects of activated carbon (AC) as an additive in multi-oxide nano composite LiNiCuZn–O for application as anode in solid oxide fuel cell (SOFC) is reported. The composite was synthesized using solid state reactions method with varying content of AC in range 0.1%–0.9% for use as anode in the cell. The cell was composed of the synthesized composite as anode, LiNiCuZn–O as cathode and Samaria doped ceria (SDC) as electrolyte. The prepared composites were characterized for morphology and crystal structure by scanning electron microscope (SEM) and x-ray diffraction (XRD) respectively. Furthermore, the crystallite sizes of LiNiCuZn–O and LiNiCuZn–O with AC as an additive have been found in the range from 50 nm to 70 nm. The prepared composite materials were observed porous and the porosity of the sample having 0.5% additive was found highest. The conductivity and power density of the SOFC were studied at temperature of 600 °C. The maximum value of conductivity was found as 4.79 S/cm for the composite containing 0.5% AC as measured by using 4-probe method. The maximum value of power density of the fuel cell with anode comprising of 0.5% AC along with the mentioned cathode and the electrolyte was 455 mW/cm². Therefore, out of the compositions studied, the composite comprising of LiNiCuZn–O with 0.5% AC offered best performance for anode in the cell. This oxide composite is reported as a potential candidate for use as anode in low temperature SOFCs.     

新旧水泥砂浆界面粘结性能试验研究

在荷载和环境因素作用下,混凝土结构产生不同程度的劣化。为了保证结构的安全性和耐久性,需要对损伤水泥基材料进行修复。基体的含水饱和度、界面粗糙度、修补砂浆的水灰比以及试件的养护条件都会影响修补砂浆与基体间的粘结强度。选取四种含水饱和度(0%、30%、70%、100%)的旧砂浆作为基体,浇筑水灰比为0.4和0.6的新砂浆,试件密封养护28 d,剪切试验结果表明:当新砂浆水灰比为0.6,旧砂浆含水饱和度按照70%、30%、100%、0%的顺序变化时,界面的剪切强度逐渐减小;当新砂浆水灰比为0.4,旧砂浆含水饱和度按照30%、0%、70%、100%的顺序变化时,界面的剪切强度逐渐减小。同时发现,新砂浆水灰比为0.4时的界面剪切强度普遍大于水灰比为0.6的数值。通过切槽法改变旧砂浆的界面粗糙度,然后浇筑水灰比为0.6的新砂浆,试件标准养护。剪切试验结果表明:当旧砂浆界面粗糙时,界面间的剪切强度是旧砂浆光滑时的1.26倍。选取两种含水饱和度(0%、100%)的旧砂浆作为基体,浇筑水灰比为0.4和0.6的新砂浆,分别进行标准养护和密封养护,剪切试验结果表明:在旧砂浆含水饱和度和新砂浆水灰比相同的情况下,标准养护下的界面剪切强度明显大于密封养护下的界面剪切强度。     

Covalent triazine framework with efficient photocatalytic activity in aqueous and solid media

Covalent triazine frameworks (CTFs) have been recently employed for visible light-driven photocatalysis due to their unique optical and electronic properties. However, the usually highly hydrophobic nature of CTFs, which originates from their overall aromatic backbone, leads to limitations of CTFs for applications in aqueous media. In this study, we aim to extend the range of the application media of CTFs and design hybrid material of a CTF and mesoporous silica (SBA-15) for efficient photocatalysis in aqueous medium. A thiophene-containing CTF was directly synthesized in mesopores of SBA-15. Due to the high surface area and the added hydrophilic properties by silica, the hybrid material demonstrated excellent adsorption of organic molecules in water. This leads not only to high photocatalytic performance of the hybrid material for the degradation of organic dyes in water, but also for efficient photocatalysis in solvent-free and solid state. Furthermore, the reusability, stability and easy recovery of the hybrid material offers promising metal-free heterogeneous photocatalyst for broader applications in different reaction media.