国际上LIMS的最新进展与发展趋势

本文介绍了在经济全球化和IT热潮下国际上实验室信息管理系统（LIMS）的最新进展和发展趋势，在仪器联结、仪器控制、光谱采集、光谱处理和化学结构方面的突破，以及生物科学与IT结合诞生出来的新学科－－生物信息学（Bioinformatics）。     

化学机械研抛过程流体和磨粒分布特性仿真

为深入理解化学机械抛光过程中的摩擦磨损机理,仿真研究了不同工况对抛光作用的影响规律.建立考虑多相流和离散相的三维CFD模型,研究不同工况下晶片和抛光垫间抛光液的速度和压力分布以及抛光磨粒的分布规律.结果表明:膜厚越小,抛光垫和晶片的转速越大,磨粒的分布密度越小.对流体速度和压力分布规律以及磨粒分布特性进行仿真分析,研究抛光过程中磨粒对晶片表面的动压作用过程.用疲劳断裂能量守恒理论,建立可定量分析各种工况下材料去除率的预测模型,采用Matlab软件对去除率模型进行仿真计算,得到不同工况下碳化硅晶片的去除率曲线.结果表明,抛光垫转速越大,膜厚越小,材料去除率越大,但去除率随着抛光的进行呈现减小的趋势.相比抛光垫转速对去除率的影响,膜厚对去除率的影响较小.     

单晶SiC的化学机械抛光及其增效技术研究进展

为了解决传统SiC化学机械抛光(CMP)加工效率低的问题,针对单晶SiC表面抛光质量和材料去除率指标,综述了应用传统碱性抛光液、混合磨粒抛光液及含强氧化剂抛光液对单晶SiC进行化学机械抛光的研究现状;为了提高SiC-CMP的化学和机械两方面作用,对SiC-CMP催化辅助增效技术、SiC电化学机械抛光(ECMP)技术、固结磨料抛光、光催化辅助抛光等增效新技术进行了系统综述;对SiC-CMP及其增效技术进行了分析、讨论,指出了当前的研究难点,展望了进一步提高单晶SiC抛光效率的研究方向.     

矿粉表面能与其所含化学成分表面能关系模型

为探究矿粉表面能与其组成化学成分间的内在关系,通过灰色关联法与主成分分析法,以矿粉的化学成分质量分数为媒介,对采用毛细管上升法测得的5种矿粉、5种化学成分表面能之间的关系模型进行量化分析.结果表明:矿粉的表面能实测值与通过其化学成分表面能计算的计算值之间存在良好的关联度;提出了变化的矿粉表面能、化学成分质量分数与不变的化学成分表面能之间定量关系模型,通过该模型可对不同岩石加工的矿粉,在测得其化学成分质量分数后,直接计算得到矿粉的表面能,可为矿粉表面能在道路工程中应用的深入研究提供理论指导.     

硅酸钠催化制备碳酸甘油酯

针对催化制备碳酸甘油酯过程中催化剂易失活、难回收的问题,以Na2Si O3·9H2O为原料,经焙烧、研磨、过筛等工艺处理后,制备得到了易分离且可循环使用的固体碱催化剂,并用于催化甘油与碳酸二甲酯的酯交换反应.探讨了催化剂的粒度和煅烧时间对催化剂活性的影响,以及甘油与碳酸二甲酯的摩尔比、催化剂用量、反应时间等反应条件对酯交换反应的影响.结果表明,当催化剂用量为反应物质量的5%且甘油与碳酸二甲酯的摩尔比为1∶4时,在75℃反应2.5 h后甘油转化率高达97.8%,碳酸甘油酯收率为95.5%.     

Preparation of one-step NiO/Ni-CGO composites using factorial design

This work deals with the synthesis, processing and characterization of NiO/Ni-CGO composite materials as potential solid oxide fuel cell (SOFC) anodes. The particulate materials were obtained by a one-step synthesis method and characterized by thermal analysis (prior to calcination) and X-ray diffraction (calcined powder). The ceramic processing of samples containing from 30 to 70 wt% NiO was carried out by factorial design. Besides the NiO content controlled during the chemical synthesis, the impacts of the pore-former content (citric acid, used in proportions of 0, 7.5 and 15 wt%) and the sintering temperature (1300, 1350 and 1400 °C) were also investigated. The open porosity of NiO-CGO composites and reduced Ni-CGO cermets was modeled as a function of factors (NiO content, citric acid content and sintering temperature) and interaction of factors. The electrical conductivity of a selected NiO-CGO composite was compared to that of a gadolinia doped ceria electrolyte.     

Applying chemical engineering concepts to non-thermal plasma reactors

Process scale-up remains a considerable challenge for environmental applications of non-thermal plasmas.Undersanding the impact of reactor hydrodynamics in the performance of the process is a key step to overcome this challenge.In this work,we apply chemical engineering concepts to analyse the impact that different non-thermal plasma reactor configurations and regimes,such as laminar or plug flow,may have on the reactor performance.We do this in the particular context of the removal of pollutants by non-thermal plasmas,for which a simplified model is available.We generalise this model to different reactor configurations and,under certain hypotheses,we show that a reactor in the laminar regime may have a behaviour significantly different from one in the plug flow regime,often assumed in the non-thermal plasma literature.On the other hand,we show that a packed-bed reactor behaves very similarly to one in the plug flow regime.Beyond those results,the reader will find in this work a quick introduction to chemical reaction engineering concepts.     

Thermodynamics of Hydrogen Production Based on Coal Gasification Integrated with a Dual Chemical Looping Process

The performance of an innovative hydrogen production technology, which is based on a coal gasification system integrated with a dual chemical looping process, namely, chemical looping air separation (CLAS) and calcium looping CO₂ absorption (CaL), is evaluated. CLAS offers an advantage over other mature technologies in that it can reduce capital costs considerably. CaL is an efficient method for hydrogen production and CO₂ capturing. The proposed technologies are studied by Aspen Plus based on the Gibbs free energy minimization principle. The key factors in terms of reduction temperature, gasification pressure, temperature of water‐gas shift reaction, and water consumption, which proved to have a significant impact on the performance of the whole hydrogen generation process, are discussed.     

Physical Characterization of Anhydrous and Hydrous Forms of the Hydrochloride Salt of BVT.5182 A Novel 5-HT6 Receptor Antagonist

ABSTRACT

The physicochemical properties of 1-benzenesulfonyl-4-(piperazin-1-yl)-indole hydrochloride, a novel 5-HT₆ receptor antagonist for the treatment of obesity were characterized. Two solid state forms were identified at ambient conditions (23°C): an anhydrate form (1) and a hydrate form (2), with 1.5 moles of H₂O. The latter easily dehydrates and rehydrates without affecting the crystal morphology. Investigations of the propensity for interconversion between the two forms reveal that a) conversion of 2→1 takes place above 145°C and that b) conversion of 1→2 only occurs after crystallization from supersaturated aqueous solutions at a water activity ≥0.94 or in the presence of comparable amounts of crystals of 2 in water at ambient conditions. However, in an equimolar suspension of 1 and 2 at 37°C no phase transformation was observed. Thus, the difference in chemical potential between the two forms is small. Form 1 was shown to have overall favorable solid state properties and, hence, considered the preferred form for continued pharmaceutical development. The characterization was performed by means of light microscopy, scanning electron microscopy, powder X-ray diffraction, FTIR/NIR-spectroscopy, differential scanning calorimetry, hot stage microscopy, thermogravimetry, dynamic vapor sorption, Karl Fischer water content determination, phase stability studies of suspensions, solubility, and intrinsic dissolution rate measurements.