工业原料铁制备浆态床FT合成用的Fe-Cu-K-Si催化剂的探索

费托合成技术是公认的将煤基合成气转化为液体燃料和化工原料的重要技术途径。虽然固定床费托合成技术从五十年代起已经工业运转，但是浆态床费托合成技术由于其传热性能好，可直接使用第二代气化炉生产的富CO合成气，反应器结构简单，单台反应器生产能力大，开工率高，产品结构合理，     

2-[1-芳酰基-1-(芳基偶氮) 亚甲基] 苯并噻唑啉的合成

本实验通过2-(1-芳甲酰基亚甲基)苯并噻唑啉和芳基重氮盐反应, 高产率地制得一系列2-[1-芳酰基-1-(芳基偶氮)亚甲基]苯并噻唑啉。     

氧化钨薄膜微型电化学器件的研究

本文论述了WO_3薄膜氢离子敏器件的结构、原理、制备技术和测试分析。利用WO_3薄膜在H+溶液中由绝缘转化为导电特性,成功地研制成氢离子敏器件。这是一种简易而经济的微型pH敏器件技术。     

羧甲基壳聚糖/明胶共混膜的结构表征与吸湿保湿性

壳聚糖通过羧甲基化得到水溶性N，O-羧甲基壳聚糖，并将其配制成4Wt％水溶液，与4Wt％明胶水溶液共混，成功制得了羧甲基壳聚糖／明胶共混膜。采用红外光谱、x射线衍射、扫描电镜对共混膜进行结构表征，结果表明，共混膜中羧甲基壳聚糖和明胶分子间存在着较强的相互作用及良好的相容性。通过共混膜的力学性能测试，发现当羧甲基壳聚糖含量为20％时，共混膜的抗张强度达到最大值(75MPa)，分别比单独的羧甲基壳聚糖(45MPa)和明胶(43MPa)提高了66．7％和74％。经过吸湿和保湿性能测试，发现当羧甲基壳聚糖含量为80％时，吸湿率和保湿率分别为33．4％和69．2％，比单独的明胶膜分别提高了1．8倍和2．1倍。     

Investigation of radical cation in electrophilic fluorination by ESI-MS

Reaction solutions of selectfluor (1) with triphenylethylene (4a) and tetraphenylethylene (4b) were monitored by ESI-MS and ESI-MS/MS. Detection and characterization of the key radical cationic intermediates 5a.+ and 5b.+) fully supports the SET mechanism in electrophilic fluorination as depicted above. [reaction: see text]     

Synthesis and Crystal Structure of a Novel Three-dimensional Cu(II) Compound {[Cu(2,2''-bipy)(C7H4O5S)(H2O)2]·(H2O}n

The title compound, {[Cu(2,2'-bipy)(C7H4O5S)(H2O)2](H2O}n (2,2'-bipy = 2,2'- bipyridine), was synthesized by the hydrothermal reaction of Cu(NO3)2(3H2O, 2,2'-bipyridine and 2-sulphobenzoic acid, and structurally characterized by single-crystal X-ray diffraction analysis. The crystal is of triclinic, space group P with a = 9.21(3), b = 10.17(3), c = 10.77(3) (A), α = 77.017(16), β = 89.80(8), γ = 68.46(7)°, V = 911(5) (A)3, Z = 2, (D/s)max = 0.001, Mr = 473.94, Dc = 1.728 g/cm3, μ(MoKα) = 1.365 mm-1, F(000) = 486, the final R = 0.0246 and wR = 0.0628 for 3809 observed reflections with I > 2σ(I). The mononuclear crystal structure extends into a two-dimensional net- work via hydrogen-bonding interactions and a three-dimensional framework is further formed by means of π-π stacking interactions.     

LiCoO_2 electrode/electrolyte interface of Li-ion batteries investigated by electrochemical impedance spectroscopy

The storage behavior and the first delithiation of LiCoO2 electrode in 1 mol/L LiPF6-EC:DMC:DEC elec- trolyte were investigated by electrochemical impedance spectroscopy (EIS). It has found that, along with the increase of storage time, the thickness of SEI film increases, and some organic carbonate lithium compounds are formed due to spontaneous reactions occurring between the LiCoO2 electrode and the electrolyte. When electrode potential is changed from 3.8 to 3.95 V, the reversible breakdown of the resistive SEI film occurs, which is attributed to the reversible dissolution of the SEI film component. With the increase of electrode potential, the thickness of SEI film increases rapidly above 4.2 V, due to overcharge reactions. The inductive loop observed in impedance spectra of the LiCoO2 electrode in Li/LiCoO2 cells is attributed to the formation of a Li1-xCoO2/LiCoO2 concentration cell. Moreover, it has been demonstrated that the lithium-ion insertion-deinsertion in LiCoO2 hosts can be well described by both Langmuir and Frumkin insertion isotherms, and the symmetry factor of charge transfer has been evaluated at 0.5.     

含红外发散的低温玻璃超声吸收理论

本文采用红外发散理论和二能级体系模型,讨论玻璃超声吸收在2K温度以下的行为,与现有的隧道二能级模型不同,我们把Bloch方程看作“磁化强度”所满足的宏观方程,方程中所有的物理量都是系综平均值。并且把缺陷态看作处在局域涨落场中的赝自旋,提出了在低温下赝自旋角扩散与温度的关系。我们不但得到与实验符合较好的理论吸收曲线,并且解释了弱照射共振吸收正比于T^-0.7和饱和吸收正比于ω²的实验规律。 关键词：     

All-atom molecular dynamic simulations and relative NMR spectra study of weak C-H...O contacts in amide-water systems

Amide-water mixtures are studied by all-atom molecular dynamics (MD) simulations and the relative temperature-dependent NMR experiment. The weak C-H...O contacts are found in the amide-water systems theoretically and experimentally. The statistical results of the average numbers of hydrogen bonds indicate that the methyl groups in amide molecules represent different capabilities in forming the weak C-H...O contacts. The statistics also imply that the C-H...O contacts are more obvious in the amide-rich region than those in the water-rich region. The temperature-dependent NMR spectra are also adopted to investigate the weak C-H...O contacts in the amide-water systems. The relative chemical shifts of the methyl groups are in good agreement with the MD simulations.