叶片式多相泵内部流动研究

目前已经研制成功的多相泵主要有两种；容积式和叶片式，对于叶片式多相泵来说，研究其内部的相态分离过程对进一步改善其性能具有重要的意义．本文应用双流体模型，建立了叶片式多相泵内部流动的基本方程组，在此基础上，分析了多相泵内部的能量平衡关系和气液两相间的相态分离过程，给出了改进叶片式多相泵性能的设计方法．     

广义LipschitzΦ-增生算子的带误差项的Ishikawa迭代序列的收敛性及应用

在一致光滑Banach空间中,证明了广义LipschitzΦ-增生算子的带误差项的Ishikawa迭代序列强收敛于方程Tx=f的解,其结果改进和扩展了近期许多相关结果.并由此得出了Ishikawa迭代序列稳定性的一些结果.     

Synthesis and Two-photon Absorption Properties of s-Triazine Derivatives

Two new s-triazine derivatives, which belong to linear dipolar type and triangle octupolar type respectively, have been synthesized. The structure of the dipolar compound has been determined by X-ray diffraction. The two-photon absorption cross-section σ, and the two-photon excited fluorescence (TPEF) intensities are increased significantly from dipolar compound to octupolar compound.     

薄膜扩散梯度技术——一种原位富集采样技术

本文介绍了薄膜扩散梯度技术的原理、研究现状、应用领域以及发展前景。     

CH4, CO2和H2O在非金属原子修饰石墨烯表面的吸附

煤层气(矿井瓦斯)是一种有望替代传统化石燃料，如煤、石油和天然气的非常规气体. 作为可得的清洁能源，它的利用被认为是节能和经济的选择. 在本工作中，非金属原子X(X=H，O，N，S，P，Si，F，Cl)修饰的石墨烯(Gr)被用来代表具有结构异性的煤表面模型. 通过密度泛函理论系统地研究了煤层气组分Y(Y=CH₄，CO₂，H₂O)在非金属原子修饰石墨烯上的吸附作用. 结果表明Y在非金属原子修饰石墨烯上的吸附均为物理吸附. 态密度和差分电荷密度共同表明了这种弱的相互作用.其中，H和Cl对CH₄的作用较大； N、O、F、Cl对CO₂的作用较强； N，Cl对H₂O的影响不容忽视. 总的来说，吸附能大小依次为：H₂O>CO₂>CH₄. 因此，在CH₄富集的煤层里注入H₂O或CO₂可以与CH₄形成竞争吸附，进而提高煤层气采收率. 本工作提供了在分子水平下煤层气与非金属原子修饰石墨烯之间的相互作用的详情，并为煤层瓦斯的开采与分离提供了有用的信息.     

N'-(4,6-二取代嘧啶-2-基)氧化烟酰硫脲的合成与生物活性测定

合成并表征了9种未见文献报道的N'-(4,6-二取代嘧啶-2-基)氧化烟酰硫脲衍生物3, 结构经IR, ¹H NMR, 元素分析得到确证. 初步的生物活性测试表明化合物3a具有较好的除草活性, 化合物3b具有一定的杀虫活性.     

全固态复合Ir/IrOx-pH传感器的研制及应用

报道了一种用于直接测定固体、半固体及糊状物表面和内部pH的新型全固态复合pH传感器,建立了原位无破损pH测定的新方法。详细地探索了pH传感器的制备工艺、性能、测试条件和干扰物的影响。pH传感器线性范围1.0~13.0,响应斜率56±1.0 mV/pH,温度系数-0.782 mV/℃,与pH玻璃电极结果对照,△pH≤0.1。该pH传感器的实际应用结果令人满意。     

3,4-聚异戊二烯的磺化反应及其离聚体的结构研究

本工作合成了磺化的3,4-聚异戊二烯及其离子聚合体,IR和NMR谱图证明对3,4-聚异戊二烯的磺化反应是成功的,并且磺酸基团主要与3,4-链节的侧基双键发生反应。WAXD对磺化3,4-聚异戊二烯及其离聚体的研究表明,磺化度的增加使离聚体的结晶能力降低,SAXS结果表明,在离子含量为3.29mol％的离聚体中,未观察到离子簇聚集,只观察到多重离子对的散射。     

Enhancing the Production of <Emphasis Type="SmallCaps">d</Emphasis>-Mannitol by an Artificial Mutant of <Emphasis Type="Italic">Penicillium</Emphasis> sp. T2-M10

d-Mannitol belongs to a linear polyol with six-carbon and has indispensable usage in medicine and industry. In order to obtain more efficient d-mannitol producer, this study has screened out a stable mutant Penicillium sp. T2-M10 that was isolated from the initial d-mannitol-produced strain Penicillium sp.T2-8 via UV irradiation as well as nitrosoguanidine (NTG) induction. The mutant had a considerable enhancement in yield of d-mannitol based on optimizing fermentation. The production condition was optimized as the PDB medium with 24 g/L glucose for 9 days. The results showed that the production of d-mannitol from the mutant strain T2-M10 increased 125% in contrast with the parental strain. Meanwhile, the fact that d-mannitol is the main product in the mutant simplified the process of purification. Our finding revealed the potential value of the mutant strain Penicillium sp. T2-M10 to be a d-mannitol-producing strain.     

Efficient Calculation of Absorption Spectra in Solution: Approaches for Selecting Representative Solvent Configurations and for Reducing the Number of Explicit Solvent Molecules

Dye-sensitized solar cells(DSSCs) are one of the most promising renewable energy technologies. Charge transfer and charge transport are pivotal processes in DSSCs, which govern solar energy capture and conversion. These processes can be probed using modern electronic structure methods. Because of the heterogeneity and complexity of the local environment of a chromophore in DSSCs(such as solvatochromism and chromophore aggregation), a part of the solvation environment should be treated explicitly during the calculation. However, because of the high computational cost and unfavorable scaling with the number of electrons of high-level quantum mechanical methods, approaches to explicitly treat the local environment need careful consideration. Two problems must be tackled to reduce computational cost. First, the number of configurations representing the solvent distribution should be limited as much as possible. Second, the size of the explicit region should be kept relatively small. The purpose of this study is to develop efficient computational approaches to select representative configurations and to limit the explicit solvent region to reduce the computational cost for later(higher-level) quantum mechanical calculations. For this purpose, an ensemble of solvent configurations around a 1-methyl-8-oxyquinolinium betaine(QB) dye molecule was generated using Monte Carlo simulations and molecular mechanics force fields. Then, a fitness function was developed using data from inexpensive electronic structure calculations to reduce the number of configurations. Specific solvent molecules were also selected for explicit treatment based on a distance criterion, and those not selected were treated as background charges. The configurations and solvent molecules selected proved to be good representatives of the entire ensemble; thus, expensive electronic structure calculations need to be performed only on this subset of the system, which significantly reduces the computational cost.