高性能碳基储能材料的设计、合成与应用

电化学储能器件的性能很大程度上决定于其电极材料。碳材料具有来源广泛、化学稳定性好、易于调控、环境友好等优点，被广泛应用于各类能量存储系统，但仍存在能量密度低、倍率性能差等问题。本文从碳材料孔结构调控、杂原子掺杂、与金属氧化物复合三个角度，综述了构建高性能碳基储能材料的设计合成策略，介绍了其在锂/钠离子二次电池、超级电容器等领域的研究进展，对几种方法策略的优缺点进行了总结，并对未来的研究方向进行了展望。本文对高性能碳基储能电极材料的设计开发具有积极意义。     

少量有机碳对单级自养脱氮工艺性能的影响

采用序批式生物膜反应器(SBBR),经过4个阶段的培养,快速富集好氧氨氧化细菌(AOB)和厌氧氨氧化细菌(AnAOB),并考察不同低碳氮比对工艺脱氮性能的影响。结果表明,NH4^+-N去除率可达到99%以上,TN去除率可达到90%以上。对应C/N=0、1和2时,反应器出水NH4^+-N和TN去除率分别为99.59%、99.5%、98.47%和93.75%、97.22%、98.11%。说明少量COD的存在,可实现同步硝化-厌氧氨氧化-反硝化,且在一定程度上提高脱氮效率。     

Long-term sustained-released in situ gels of a water-insoluble drug amphotericin B for mycotic arthritis intra-articular administration: preparation,in vitro and in vivo evaluation

Amphotericin B (AMB) was often used in intra-articular injection administration for fungal arthritis, because it could often bring a satisfactory therapeutic efficacy and a minimum systemic toxic side effect. However, because of the multiple operations and the frequent injections, the compliance of the patients was bad. Therefore, to develop a long-term sustained-released preparation of AMB for mycotic arthritis intra-articular administration is of great significance. The purpose of present study was to develop a long-term sustained-released in situ gel of a water-insoluble drug AMB for mycotic arthritis intra-articular administration. Based on the evaluations of the in vitro properties of the formulations, the formulation containing 10% (w/w) ethanol, 15% (w/w) PG, 0.75% (w/w) HA, 5% (w/w) purified soybean oil, 0.03% (w/w) α-tocopherol, 15% (w/w) water and 55% (w/w) glyceryl monooleate was selected as a suitable intra-articular injectable in situ gel drug delivery system for water-insoluble drug AMB. Furthermore, the results of the in vivo study on rabbits showed that the selected formulation was a safe and effective long-term sustained-released intra-articular injectable AMB preparation. Therefore, the presented in situ AMB gel could reduce the frequency of the administration in the AMB treatment of fungal arthritis, and then would get a good patient compliance.     

Analysis of adhesively bonded CFRE composite scarf joints modified with MWCNTs

The main objective of the present work is to improve the performance of bonded joints in carbon fiber composite structures through introducing Multi-Walled Carbon Nanotubes (MWCNTs) into Epocast 50-A1/946 epoxy, which was primarily developed for joining and repairing of composite aircraft structures. Results from tension characterizations of structural adhesive joints (SAJs) with different scarf angles (5–45°) showed improvement up to 40% compared to neat epoxy (NE)–SAJs. Special attention was considered to investigate the performance of SAJs with 5° scarf angle under different environments. The tensile strength and stiffness of both NE-SAJs and MWCNT/E-SAJs were dramatically decreased at elevated temperature. Water absorption showed a marginal drop of about 2.0% in the tensile strength of the moist SAJs compared to the dry one. Cracks initiation and propagation were detected effectively using instrumented-SAJs with eight strain gauges. The experimental results agree well with the predicted using three-dimensional finite element analysis model.     

Stochastic free vibration analyses of composite shallow doubly curved shells – A Kriging model approach

This paper presents the Kriging model approach for stochastic free vibration analysis of composite shallow doubly curved shells. The finite element formulation is carried out considering rotary inertia and transverse shear deformation based on Mindlin’s theory. The stochastic natural frequencies are expressed in terms of Kriging surrogate models. The influence of random variation of different input parameters on the output natural frequencies is addressed. The sampling size and computational cost is reduced by employing the present method compared to direct Monte Carlo simulation. The convergence studies and error analysis are carried out to ensure the accuracy of present approach. The stochastic mode shapes and frequency response function are also depicted for a typical laminate configuration. Statistical analysis is presented to illustrate the results using Kriging model and its performance.     

Piezoresistive in-situ strain sensing of composite laminate structures

Various methods have been developed to monitor the health and strain state of carbon fiber reinforced polymers, each with a unique set of pros and cons. This research assesses the use of piezoresistive sensors for in situ strain measurement of carbon fiber and other composite structures in multidirectional laminates. The piezoresistive sensor material and the embedded circuitry are both evaluated. For the piezoresistive sensor, a conductive nickel nanocomposite sensor is compared with the piezoresistivity of the carbon fiber itself. For the circuit, the use of carbon fibers already present in the structure is compared with the use of nickel coated carbon fiber. Successful localized strain sensing is demonstrated for several sensor and circuitry configurations. Numerous engineering applications are possible in the ever-growing field of carbon-composites.     

Generic mathematical programming formulation and solution for computer-aided molecular design

This short communication presents a generic mathematical programming formulation for computer-aided molecular design (CAMD). A given CAMD problem, based on target properties, is formulated as a mixed integer linear/non-linear program (MILP/MINLP). The mathematical programming model presented here, which is formulated as an MILP/MINLP problem, considers first-order and second-order molecular groups for molecular structure representation and property estimation. It is shown that various CAMD problems can be formulated and solved through this model.     

Microwave assisted-in situ synthesis of porous titanium/calcium phosphate composites and their in vitro apatite-forming capability

Microwave irradiation has been proven to be an effective heating source in synthetic chemistry, and can accelerate the reaction rate, provide more uniform heating and help in developing better synthetic routes for the fabrication of bone-grafting implant materials. In this study, a new technique, which comprises microwave heating and powder metallurgy for in situ synthesis of Ti/CaP composites by using Ti powders, calcium carbonate (CaCO₃) powders and dicalcium phosphate dihydrate (CaHPO₄·2H₂O) powders, has been developed. Three different compositions of Ti:CaCO₃:CaHPO₄·2H₂O powdered mixture were employed to investigate the effect of the starting atomic ratio of the CaCO₃ to CaHPO₄·2H₂O on the phase, microstructural formation and compressive properties of the microwave synthesized composites. When the starting atomic ratio reaches 1.67, composites containing mainly alpha-titanium (α-Ti), hydroxyapatite (HA), beta-tricalcium phosphate (β-TCP) and calcium titanate (CaTiO₃) with porosity of 26%, pore size up to 152 μm, compressive strength of 212 MPa and compressive modulus of 12 GPa were formed. The in vitro apatite-forming capability of the composite was evaluated by immersing the composite into a simulated body fluid (SBF) for up to 14 days. The results showed that biodissolution occurred, followed by apatite precipitation after immersion in the SBF, suggesting that the composites are suitable for bone implant applications as apatite is an essential intermediate layer for bone cells attachment. The quantity and size of the apatite globules increased over the immersion time. After 14 days of immersion, the composite surface was fully covered by an apatite layer with a Ca/P atomic ratio approximately of 1.68, which is similar to the bone-like apatite appearing in human hard tissue. The results suggested that the microwave assisted-in situ synthesis technique can be used as an alternative to traditional powder metallurgy for the fabrication of Ti/CaP biocomposites.     

Electronic structure and absolute band edge position of tetragonal AgInS2 photocatalyst: A hybrid density functional study

Energy bands, effective mass of carriers, absolute band edge positions and optical properties of tetragonal AgInS₂ were calculated using a first-principles approach with the exchange correlation described by B3LYP hybrid functional. The results indicate that tetragonal AgInS₂ has a direct band gap of 1.93 eV, which reproduce well experimental value. Calculated effective masses of electrons and holes are both small which are beneficial to separation and migration of electron and hole pairs. This implies that AgInS₂ has good photocatalytic performance. The calculated optical characteristics indicate that AgInS₂ has a slight anisotropy for both the real and imaginary parts of the dielectric function and exhibits large optical absorption in the visible light region. Furthermore, the calculated band edge positions in (100), (010) and (001) surfaces indicate that tetragonal AgInS₂ is beneficial to the reduction and oxidation of water to hydrogen and oxygen under visible light irradiation.