碳酸氢铵制纯碱的研究

本文对“中间盐”复分解制碱法进行了研究。“中间盐”的加入不能使两个三盐共饱和点在干盐图上发生明显的移动,但能使三盐介稳平衡点的介稳期延长,从而使得用碳酸氢铵和食盐通过复分解制碱成为可能。     

Synthesis of Novel Dendrimers Containing Amino Acids and Peptides

Dendrimers are known for their well-defined, regular, highly branched architectures with a large number of functional groups1. Recently, dendrimers have been widely researched in different fields, such as molecular light havesting, catalysts, liquid cryst…     

Study of Structures and Electronic Properties of Pdn–1Pb and Pdn （n≤8） Clusters

Geometric and electronic properties of Pdn–1Pb and Pdn (n≤8) clusters have been studied by using density functional theory with effective core potentials, focusing on the differences between mono- and bimetallic clusters. The average bond length of Pdn–1Pb (n≤8) bimetallic clusters is longer than that of pure palladium clusters except for n = 2 and 3. The most stable structure of Pdn–1Pb (n≤7) is the singlet where there is at least a Pd or Pb atom on its excited state. The energy gaps of Pd–Pb binary clusters are narrower than those of Pdn clusters, and then the chemical activity is strengthened when Pdn clusters are doped with Pb.     

熔融碳酸盐燃料电池阳极材料表面改性

选择铌作为合金化元素，通过氟化物熔盐电化学表面合金化的方法对熔融碳酸盐燃料电池阳极材料镍进行表面改性，改性后的阳极材料的耐蚀性能与电催化性能均得到明显的改善。     

丙酮中除虫脲溶液标准物质研制

采用重量-容量法制备丙酮中除虫脲溶液标准物质。准确称量国家二级标准物质除虫脲溶解到色谱纯丙酮中,通过A级容量瓶定容至500 mL,摇匀后分装到2 mL安瓿瓶内共460瓶,每瓶为1 mL,保持低温迅速封口,配制过程中室温保持在(20±2)℃。采用液相色谱法进行均匀性、稳定性检验和定值结果验证。从样品中随机抽取16瓶进行均匀性检验,经F检验表明,在95%的置信区间范围内该标准物质均匀性良好;采用t检验对标准物质稳定性进行检验,标准物质在12月内稳定性良好。对该标准物质的不确定度进行了评定,研制的丙酮中除虫脲溶液标准物质定值结果为100μg/mL,相对扩展不确定度为2%(k=2)。结果表明,该标准物质均匀性与稳定性良好,量值准确,可用于日常分析检测中的方法评价和仪器校准。     

Synthesis and Characterization of Poly（butylene adipate-co-terephthalate） Catalyzed by Rare Earth Stearates

Rare earth （Nd, Y, La, Dy） stearates have been synthesized and used as single component catalysts for the polycondensation of dimethyl terephthalate, adipic acid and 1,4-butanediol for the first time preparing biodegradable poly（butylene adipate-co-terephthalate） （PBAT） with high molecular weight, The microstructures of PBAT were characterized by ^1H NMR spectra. The PBAT exhibits good mechanical properties such as high tensile strength （ca. 20 MPa） and long break elongation （〉700%）.     

后交联型St-DVB大孔吸附树脂对低级醇类的吸附性能研究

分别在静态和动态条件下研究了Friedel—Crafs后交联型聚苯乙烯-二乙烯基苯(St-DVB)大孔吸附树脂对水溶液中多种低级一元醇的吸附性能，测定静态吸附等温线和动态吸附曲线，并分别按照Langmuir和Freundlich模型进行拟合．结果显示，树脂对水中低浓度低级一元醇的吸附过程属于放热的物理吸附过程，树脂吸附能力随着一元醇碳原子数的增加，即分子内疏水基团质量的增加而增加；树脂对直链醇的吸附能力稍强于同分异构的支链醇．     

Theoretical studies on reductive etherification reactions between aromatic aldehydes and alcohols

The mechanism of reductive etherification reactions between aromatic aldehydes and alcohols has been investigated with the DFT(B3LYP)/6-31G method. One or two BH(3) molecules have been used to simulate the role of the catalyst and reducing agent. The solvent effects of the title reactions have been studied by the PCM model. It is found that the reactions between aromatic aldehydes and primary, secondary, and tertiary alcohols can proceed more easily in a polar solvent such as acetonitrile. The results provide evidence in theory to broaden the applications of reductive etherification reactions for the optimization of the radiochemical synthesis process of (18)F-labeled ether radiotracers.     

Surface-enhanced Raman scattering studies on the adsorption of p-nitrobenzoic acid at Au electrode under different potential with ultraviolet excitation

The potential-dependent surface-enhanced Raman spectrum of adsorbed p-nitrobenzoic acid (PNBA) on the roughened Au electrode has been obtained by using ultraviolet (UV) excitation at 325 nm. The surface-enhanced Raman spectra of PNBA intensely changed when the voltage was in the rang of negative value, and the electrode potential at which the resonance (potential of maximum intensity) occurs varied when the vibrational mode changes, indicating that the PNBA molecules were chemisorbed on the roughened Au surface. The charge transfer (CT) mechanism could probably explain the experiment results in the present work.     

Study of quasi-monodisperse In2O3 nanocrystals: synthesis and optical determination

In this communication, we report a successful synthesis of quasi-monodisperse In2O3 nanocrystals with high crystallinity in a high-temperature organic solution. The average size of nanocrystals can be tuned using a dynamic injection technique. TEM and XRD investigations indicate that each nanocrystal is a single crystal. The optical determination implies that the photoluminescence behavior of these In2O3 nanocrystals is different from that of the bulk, probably due to the combination of weak quantum-confinement-effects and the nature of high crystallinity in nanocrystals.