Structural and Molecular Orbital Studies of Si-Phenyl Silaanthracenes

The Si-phenyl derivatives of 1-, 2-, 9- silaanthracenes have been subjected to theoretical analysis with density functional theory (B3LYP/6-31G(d)) to obtain their molecular orbital properties. 2-silaanthracene has been found to be thermodynamically the most stable derivative among the trio. Moreover, the effects of the position of the Si substitution and phenyl attachment on the aromaticity of the parent anthracene have been investigated by NICS calculations at ring centers. The structures have been found to be less aromatic with respect to their unsubstituted counterparts.     

Ultrasound‐assisted bioscouring of cotton

In this study, the effects of ultrasound on the bioscouring of cotton by alkaline pectinase were examined. Conventional alkaline scouring was considered as the control treatment, and two different sources of ultrasound, an ultrasonic bath and an ultrasonic homogeniser, were tested, along with the enzymatic scouring process. Results indicated a clear increase in the efficiency of the enzymatic scouring process when the ultrasonic homogeniser was used: wettability time and wicking distance after ultrasonic homogeniser‐assisted bioscouring were much better than for enzymatic scouring without the use of ultrasound energy and almost the same as when conventional alkaline scouring was employed. Ultrasonic bath‐assisted enzymatic bioscouring gave slightly better results than enzymatic scouring without sonication. Reasons for the difference in efficacy of the ultrasound sources were postulated. Weight loss was increased by the use of ultrasonic equipment during enzymatic scouring. Fabric thickness and fabric strength was not significantly affected by the scouring processes. The environmental impact of the processes was also monitored by chemical oxygen demand measurement of the treatment liquors. Conventional alkaline scouring resulted in the highest environmental impact. Ultrasonic homogeniser‐assisted bioscouring also led to slightly higher chemical oxygen demand loads than other enzymatic processes owing to the more efficient removal of impurities.     

HEAT AND MASS TRANSFER IN THE ADSORBENT BED OF AN ADSORPTION HEAT PUMP

The heat and mass transfer equations governing an adsorbent bed in an adsorption heat pump and the mass balance equation for the adsorbent particles in the adsorbent bed were solved numerically to simulate the cycle of a basic adsorption heat pump, which includes isobaric adsorption, isosteric heating, isobaric desorption, and isosteric cooling processes. The finite difference method was used to solve the set of governing equations, which are highly nonlinear and coupled. The pressures of the evaporator and condenser were 2 and 20 kPa, respectively, and the regeneration temperature of the bed was 403 K. Changes in the temperature, adsorptive pressure, and adsorbate concentration in the adsorbent bed at different steps of the cycle were determined. The basic simulated cycle is presented in a Clausius-Clapeyron diagram, which illustrates the changes in average pressure and temperature of the adsorbent bed throughout the cycle. The results of the simulation indicated that the most time-consuming processes in the adsorption heat pump cycle were isobaric adsorption and isobaric desorption. The high thermal resistance of the bed slows down heat transfer, prolonging adsorption and desorption processes.     

Catalytic effect of potassium carbonate on carbothermic production of hexagonal boron nitride

Effect of potassium carbonate addition on the carbothermic formation of hexagonal boron nitride (hBN) was investigated by keeping the K₂CO₃ added B₂O₃+C mixtures in nitrogen atmosphere at 1400 °C for 40–160 min. K₂CO₃ amount was varied in the range of 10–60 wt% of the B₂O₃+C mixture. Products were subjected to XRD and quantitative analyses, SEM and TEM observations, and particle size measurement. Amount of hBN increased considerably with K₂CO₃ addition; also particle size and crystallinity improved. Catalytic role of K₂CO₃ was suggested as forming a potassium borate melt in which hBN particles form, in addition to carbothermic formation reaction. Effect of K₂CO₃ on increasing the hBN amount decreased when it was used over 40%. This was attributed to the rapid evaporation of the formed potassium borate liquid.     

Production of hydrogen over bimetallic Pt–Ni/δ-Al2O3: I. Indirect partial oxidation of propane

Indirect partial oxidation (IPOX) of propane was studied over bimetallic 0.2 wt.% Pt–15 wt.% Ni/δ-Al₂O₃ catalyst in the 623–743 K temperature range. The unreduced and reduced forms of the catalyst were characterized by ESEM–EDAX and X-ray diffraction (XRD). In the IPOX tests, the effects of steam to carbon ratio (S/C), carbon to oxygen ratio (C/O₂) and residence time (W/F (g_cat h/mol HC)) on the hydrogen production activity, selectivity and product distribution were studied in detail. The effect of temperature program applied (increasing from 623 to 743 K, ITP; decreasing from 743 to 623 K, DTP) during reaction was also tested. The results showed that the Pt–Ni bimetallic system has superior performance characteristics compared to the monometallic catalysts reported in literature. The reason is thought to be the utilization of the catalyst particles as micro heat exchangers during IPOX; the heat generated by Pt sites during exothermic total oxidation (TOX) being readily transferred through the catalyst particles acting as micro heat exchangers to the Ni sites, which promote endothermic steam reforming (SR). The optimal conditions were found as S/C = 3, C/O₂ = 2.70 and W/F = 0.51 g_cat h/mol HC for IPOX of propane on the basis of high hydrogen productivity and selectivity between 623 and 748 K for the experimental conditions tested. The thermo-neutral points obtained showed the sustainability of reaction in terms of energy.     

芽孢杆菌应用于聚乳酸的降解及其降解条件的研究

采用液体培养法,将巨大芽孢杆菌、枯草芽孢杆菌和解淀粉芽孢杆菌应用于聚乳酸生物降解,探究降解过程中培养条件的改变,对蛋白酶活性以及薄膜降解过程的影响。结果表明：不同种类的诱导物能够提高芽孢杆菌的蛋白酶活性,巨大芽孢杆菌的最高蛋白酶活性约为23.79 U/mL,枯草芽孢杆菌的最高蛋白酶活性约为11.61 U/mL,解淀粉芽孢杆菌的最高蛋白酶活性约为21.23 U/mL。三种芽孢杆菌中,巨大芽孢杆菌对聚乳酸的生物降解影响最大。初始pH值为8.0,接种2%(V/V)种子液,1%酵母浸粉作为降解诱导物,可以有效加快巨大芽孢杆菌对聚乳酸的降解速率,5 d后降解率可达20.96%。薄膜表面存在菌生长,生物降解后出现轻微裂痕。     

Stabilized electrospinning of heat stimuli/in situ crosslinkable nanofibers and their self‐same nanocomposites

We present a strategy for stabilizing the morphological integrity of electrospun polymeric nanofibers by heat stimuli in situ crosslinking. Amorphous polymer nanofibers, such as polystyrene (PS) and its co‐polymers tend to lose their fiber morphology during processing at temperatures above their glass transition temperature (T_g) typically bound to happen in nanocomposite/structural composite applications. As an answer to this problem, incorporation of the crosslinking agents, phthalic anhydride (PA) and tributylamine (TBA), into the electrospinning polymer solution functionalized by glycidylmethacrylate (GMA) copolymerization, namely P(St‐co‐GMA), is demonstrated. Despite the presence of the crosslinker molecules, the electrospinning polymer solution is stable and its viscosity remains unaffected below 60 °C. Crosslinking reaction stands‐by and can be thermally stimulated during post‐processing of the electrospun P(St‐co‐GMA)/PA‐TBA fiber mat at intermediate temperatures (below the T_g). This strategy enables the preservation of the nanofiber morphology during subsequent high temperature processing. The crosslinking event leads to an increase in T_g of the base polymer by 30 °C depending on degree of crosslinking. Crosslinked nanofibers are able to maintain their nanofibrous morphology above the T_g and upon exposure to organic solvents. In situ crosslinking in epoxy matrix is also reported as an example of high temperature demanding application/processing. Finally, a self‐same fibrous nanocomposite is demonstrated by dual electrospinning of P(St‐co‐GMA) and stabilized P(St‐co‐GMA)/PA‐TBA, forming an intermingled nanofibrous mat, followed by a heating cycle. The product is a composite of crosslinked P(St‐co‐GMA)/PA‐TBA fibers fused by P(St‐co‐GMA) matrix. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 44090.     

攀西钒钛磁铁矿资源高效冶金及清洁提取研究进展

攀西地区钒钛磁铁矿是我国重要的特色资源,但由于其Ti O2含量高,矿物相复杂,属于难冶炼矿石。早在1958年6月叶渚沛先生发表了《攀枝花含钛铁矿的紧急问题》的书面意见,其中“紧急问题”是突破某些国外学者的“用高炉冶炼这种矿石成功的希望甚微”的框框,依靠国内的科研力量攻克攀西地区钒钛磁铁矿高炉冶炼的难题。在全国各相关行业的大力协作攻关下,我国已成功突破了攀西地区钒钛磁铁矿高炉冶炼的难题,并进一步提升了强化冶炼的水平,整体达到世界领先水平。近年来除冶炼水平不断提升外,在资源综合利用水平提升方面也进行了大量具有原创意义的研究工作。重庆大学是国内最早开展钒钛磁铁矿冶炼和综合利用研究的单位之一,多年来始终把钒钛磁铁矿冶金及资源高效利用作为冶金学科首要的研究方向,对高炉冶炼钒钛磁铁矿的独特工艺进行了较系统的理论与工艺研究,形成了鲜明的研究特色。近年来围绕高炉高配比钒钛磁铁矿冶炼技术、含钛高炉渣提钛和大型电炉钛渣冶炼技术以及钒资源高效清洁提取技术等方面与企业紧密合作,在理论和实验研究方法上进行突破,取得了良好的进展。本综述就近年来重庆大学在攀西钒钛磁铁矿高效冶金及清洁提取方面所做的工作,进行简要介绍...     

一种负载均衡的FiWi网络视频多路径传输机制

针对用户差异化的需求及融合网络局部过载造成视频业务中断的问题,提出一种负载均衡的视频传输机制.首先根据光纤无线接入网络的前端结构特点来改进分裂多径路由协议以获得路径选取模型;其次计算视频在无线侧的延迟和路径差分延迟,并确定其阈值作为用户体验质量约束;最后在考虑用户体验质量的同时,采用多级惩罚函数的粒子群优化算法进行视频...     

Supramolecular Assemblies Constructed by Cucurbituril-Catalyzed Click Reaction

Cucurbituril homologues are multi-functional macrocycles that can find applications in many areas and have numerous interesting features setting them apart from the other macrocycles. Among them, the ability of one of the cucurbituril homologues, cucurbit[6]uril (CB6), to catalyze 1,3-dipolar cycloaddition in a regiospecific fashion is truly exceptional. Using this feature, small molecules can be clicked together to form complex structures in a very efficient way. Accordingly, in this article we review recent research involving the use of CB6-catalyzed 1,3-dipolar cycloaddition or the click reaction of CB6 in the construction of supramolecular assemblies including rotaxanes, pseudorotaxanes, polyrotaxanes, polypseudorotaxanes, molecular switches, machines, and nanovalves.