An Electrostatic Bond Energy Model for Enthalpies of Formation of Chloroalkanes in Gaseous States

An electrostatic bond energy model is formulated to fit the enthalpies of formation and dipole moments of the alkanes and chloroalkanes. In this model, the charge distributions are calculated by an electrostatic approach similar to the "MSE" method, and the enthalpy of formation of a molecule is the sum of the bond energy terms plus the electrostatic energy of the interactions between the charges on all atoms. All parameters of this model are obtained by parameterization. The calculated dipole moments for 13 chloroalkanes and enthalpies of formation for 19 alkanes and non-geminal chloroalkanes agree with the determined values very well. To calculate the enthalpies of formation of geminal chloroalkanes, a correction mainly attributed to the van der Waals interactions in the geminal substituted group, about 24 kJ/mol per pair of geminal chlorine atoms, is introduced.     

The effects of confinement on the behavior of water molecules between parallel Au plates of (001) planes

Molecular dynamics simulation is utilized to investigate the behavior of water molecules confined between two Au plates of (001) planes separated by gaps of 24.48, 16.32, 12.24, 11.22, and 10.20 A. The simulation results indicate that the arrangements of the water molecules are dependent on the gap size. For the largest gap size, adsorption of the Au surface creates two permanent water layers in the vicinity of each Au plate. Furthermore, in this case, the gap size is sufficiently large to permit the formation of a central region within which the water molecules are randomly oriented in a similar manner to bulk water molecules. The results indicate that the orientation of the first water layer directly absorbed by the plate surface does not change as the gap size between the two Au plates is reduced. However, the orientations of the O-H bonds in the second water layer parallel to the surface rearrange to form hydrogen bonds between the water layers as the separation between the plates is decreased. Finally, an inspection of the variation of the self-diffusion coefficients with the gap size suggests that the difference between the dynamic properties of the water molecules in the z direction and the x-y plane decreases as the distance between the two Au plates increases.     

Persistent luminescence properties of SrMg2(PO4)2:Eu2+,Tb3+

We investigate the persistent luminescence in europium-doped SrMg₂(PO₄)₂ upon codoping with auxiliary terbium. Luminescence properties of the phosphors, including photoluminescence, luminescence decay and thermoluminescence, are systematically studied. SrMg₂(PO₄)₂:Eu²⁺ shows only a weak persistent luminescence, and codoping with Tb³⁺ is necessary to obtain considerable persistent luminescence. An energy level scheme is constructed to convey reasonable trapping and detrapping processes in the material.     

NiTiO3纳米晶的溶胶-凝胶制备工艺研究

以无机镍盐和钛酸四丁酯为起始原料,采用溶胶-凝胶法制备了NiTiO3纳米晶.采用X射线衍射(XRD)、综合热分析仪(DSC/TG)以及透射电镜(TEM)对制备的纳米晶进行了测试和表征.研究了不同镍源、后处理温度对钛酸镍纳米晶相组成以及显微结构的影响.结果表明:以硝酸镍为起始原料更易获得单一物相的NiTiO3纳米晶;以硝酸镍为原料,乙醇为溶剂,n(柠檬酸):n(Ni2++Ti4+)=1:1,后处理温度为700 ℃为制备NiTiO3纳米晶的最佳工艺条件.由谢乐公式推算得出NiTiO3晶粒生长符合Brook关系式,计算得到晶粒生长活化能为Ea=43.07 kJ/mol.     

四程放大激光系统输出能量稳定性研究

 根据原型装置主放大系统组合式四程放大结构的特点,计算分析了放大过程中注入能量、放大增益及损耗的微小起伏对系统输出能量稳定性的影响。根据原型装置集成实验结果,分析了目前原型装置单路输出能量稳定性水平。研究结果表明：注入能量越大,其变化对输出能量影响越小;小信号增益系数对输出能量的影响明显大于注入能量;系统输出能量稳定性对腔内光学元件的透过率变化要求高于腔外光学元件。在3 ns基频光输出达标点处要使输出能量不稳定性控制在5%以内,注入能量起伏要低于10%,腔内放大片小信号增益系数起伏要低于1%,腔内光学系统损耗起伏要低于2%。     

Short time deposition of TiO2 nanoparticles on SiC as photocatalysts for the degradation of organic dyes

The deposition of TiO₂ nanoparticles on SiC was carried out by mechanical milling under different conditions. SiC–TiO₂ samples were used as photocatalysts for the degradation of organic dyes such as methylene blue and rhodamine B. A short time deposition of TiO₂ nanoparticles was observed during mechanical milling (2 min at 200 rpm) to cover the SiC particles. The presence of SiC and TiO₂ (anatase and rutile) was confirmed by means of X-ray diffraction after thermal treatment at 450 °C. The deposition of TiO₂ on SiC was corroborated by scanning electron microscopy analysis; the thickness of the thin layer of TiO₂ deposited on SiC increases as the proportion of TiO₂ increases. The energy band gap values obtained for these compounds were around 3.0 eV. SiC–TiO₂ photocatalysts prepared by mechanical milling exhibited better activity under UV-light irradiation for the degradation of methylene blue and rhodamine B than commercial TiO₂ powder (titania P25).     

高效液相色谱法测定环孢素A含量

提出了高效液相色谱法测定环孢素A含量的方法。以Agilent Extend C18色谱柱(250mm×4.6mm,5μm)为固定相,以乙腈、水、叔丁基甲醚和磷酸按体积比500比500比50比1的混合溶液为流动相,用紫外检测器检测,检测波长为210nm。环孢素A的质量浓度在0.025～2.00g.L-1范围内与其峰面积呈线性关系。方法应用于环孢素原料药分析,测定结果的相对标准偏差(n=6)小于1.0%,用标准加入法做回收试验,回收率在99.3%～101%之间。     

Preparation of MnO2 Loaded Hydrothermal Carbon-coated Electrospun PAN Fiber Membranes for Highly Efficient Adsorption and Separation of Cationic Dye

Hydrothermal carbonaceous materials and MnO₂ have been proved to be promising adsorbents to remove organic dyes from wastewater. In this study, flexible MnO₂ loaded hydrothermal carbon-coated electrospun poly-acrylonitrile(AC/MnO₂/PAN) fiber membranes were fabricated by a facile one-step hydrothermal method and activated by NaOH solution. The composite fibers exhibited large adsorption capacity toward cationic dyes and excellent mechanical properties. The adsorption performance can be fitted well with pseudo-second-order model and Langmuir isotherm model. The maximum adsorption for methylene blue(MB), methyl violet(MV) and malachite green(MG) are 1173.27,1106.31 and 1129.89 mg/g, respectively, according to Langmuir fitting. The AC/MnO₂/PAN fiber membrane also showed satisfactory performances for selective adsorption and recyclability. In addition, based on selective adsorption, the AC/MnO₂/PAN fiber membranes that are repulsive to the anionic dye methyl orange(MO) can separate the MB/MO mixture solution by dynamic filtration. Thus, this work not only provides a facile strategy to fabricate large capacity adsorbents, but also demonstrates the potential applications in the dye wastewater treatment field.     

Simulation and analysis on the flow field of the low temperature mini-type cold store

The understanding of the flow field inside the cold store is very important to food storage at low temperatures. In this paper, the CFD simulation on the flow field for low temperature cold store with air forced supply mode is presented. The turbulence flow of three-dimensional steady incompressible viscous fluid is analyzed using finite volume method and standard K-ε two-equation. The temperature and velocity fields of this cold store are simulated, analyzed and compared. The simulation results show that the velocity and temperature fields are evidently influenced by the cross section from the ground, and the optimal cross section is also given in this paper.