航天器管路吹除污染物成分分析与来源解析

制定了航天器管路吹除污染物检测总体技术方案,并依据方案分别采用扫描电镜能谱检测技术、衰减全反射傅立叶红外光谱检测技术和液相色谱-质谱联用检测技术,对航天器产品在管路吹除过程中发现的黄色污染物液体进行了成分分析,结果表明,航天器管路吹除污染物的主要成分为苯酚类物质和油脂类物质,污染物来源于航天器生产加工工艺过程中使用的润滑油。为航天器污染物的预防和控制提供了技术支持,为航天器型号产品的生产工艺改进及质量控制提供理论依据。     

Removal of nickel ions by adsorption on nano-bentonite: Equilibrium,kinetics, and thermodynamics

Nano-bentonite was used as an adsorbent to remove nickel ions from aqueous solutions. Experimental investigation was carried out to identify the effect of pH, contact time, initial concentration, and adsorbent dose of Ni(II). Equilibrium data were described by and fitted to Langmuir, Freundlich, and Dubinin–Radushkevich models. Results showed that the optimum conditions for the removal of the Ni(II) are initial concentration 100 mg/L, adsorbent dose 0.5 g, and pH 6. Surface morphology and functionality of nano-bentonite were characterized by SEM and FTIR. The kinetics data were more accurately described by pseudo-second-order model. The intra-particle diffusion model gave multi-linear curves, so more than one step controlled the adsorption process. Nano-bentonite removed nickel with maximum adsorption capacity of 39.06 mg/g (30°C, pH) and thermodynamic data indicated that adsorption reaction is spontaneous and of an endothermic nature.     

对硝基苯酚在质子惰性溶剂中的氧化还原机理

利用现场红外光谱电化学法、红外光谱循环伏吸法(CVA)和导数循环伏吸法(DCVA)研究了对硝基苯酚(PNP)在乙腈中的氧化还原机理,并结合B3LYP方法在6-311++G*水平上计算得出反应中自由基阴离子和二聚体可能的结构.通过循环伏安曲线(CV)和快速扫描红外光谱验证了在电化学还原过程中PNP在乙腈溶剂中发生较复杂的自质子化反应,并且PNP的电化学行为受其浓度的影响.当PNP浓度较高时,PNP在还原成自由基阴离子后发生自质子化作用,然后自由基阴离子与质子化产物得到电子发生二聚反应,随后PNP阴离子还原成二价阴离子;当PNP浓度较低时,电化学还原机理会发生改变,二聚现象消失,阴离子自由基继续还原.     

Synthesis,structural study,thermal, optical properties and characterization of the new compound [C_6H_7N_2O_2]_3TeCl_5·2Cl

The new organic-inorganic compound, [C_6H_7N_2O_2]_3TeCl_5·2Cl was synthesized and its structure was determined at room temperature in the triclinic system (P~-1) with the following parameters: a = 10.5330(11) ?, b = 10.6663(11) ?, c = 15.9751(16)?, α = 82.090(2)°, β = 71.193(2)°, γ = 68.284(2)°and Z = 2. The final cycle of refinement led to R = 0.057 and Rw = 0.149. The crystal structure was stabilized by an extensive network of N--H···Cl and non-classical C--H···Cl hydrogen bonds between the cation and the anionic group. Several thermal analysis techniques such as thermogravimetric analysis, differential scanning calorimetric analysis and evolved gas analysis were used. We used isoconversional kinetics methods to determine the kinetics parameters. We observe that the decomposition of [C_6H_7N_2O_2]_3TeCl_5·2Cl entails the formation hydrochloric acid of nitroaniline as volatiles. The infrared spectra were recorded in the4000–400 cm~(-1)frequency region. The Raman spectra were recorded in the external region of the anionic sublattice vibration 50–1500 cm~(-1). The optical band gap was calculated from the UV-Vis absorbance spectra using classical Tauc relation which was found to be 3.12 and 3.67 eV.     

Catalytically active gold clusters and nanoparticles for CO oxidation

Electronic states of gold nanoparticles in mordenite and their transformations under redox treatments have been studied by the methods of FTIR spectroscopy of adsorbed CO and diffuse reflectance UV-visible spectroscopy. Different states of ionic and metallic gold were detected in the zeolite channels and on the external surface of the zeolite - Au⁺ and Au³⁺ ions, charged clusters , and neutral nanoparticles Au_m. Catalytic tests of the samples revealed the existence of two types of active sites of gold in CO oxidation - gold clusters <2 nm (low-temperature activity) and gold nanoparticles (high temperature activity).     

Exploring the Free Energy and Conformational Landscape of tRNA at High Temperature and Pressure

A combined temperature‐ and pressure‐dependent study was employed to reveal the conformational and free‐energy landscape of phenylalanine transfer RNA (tRNA^Phe), a known model for RNA function, to elucidate the features that are essential in determining its stability. These studies also help explore its structural properties under extreme environmental conditions, such as low/high temperatures and high pressures. To this end, fluorescence and FTIR spectroscopies, calorimetric and small‐angle scattering measurements were carried out at different ion concentrations over a wide range of temperatures and pressures up to several hundred MPa. Compared with the pronounced temperature effect, the pressure‐dependent structural changes of tRNA^Phe are small. A maximum of only 15 % unpaired bases is observed upon pressurization up to 1 GPa. RNA unfolding differs not only from protein unfolding, but also from DNA melting. Its pressure stability seems to be similar to that of noncanonical DNA structures.     

柴油降凝剂的成份分析与比较

应用红外光谱与气相色谱-质谱联用法．对5种市售柴油降凝剂A、B、C、D、E的成份进行分析，得到了降凝剂中聚合物及其助剂的成份。比较了它们的异同，发现5种降凝剂中的聚合物均为乙烯-醋酸乙烯酯，而醋酸乙烯酯含量不同；降凝剂A、B中的助剂为芳香烃。降凝剂C,D、E中的助剂为石脑油。     

Microstructural and optical investigations of Ce-doped barium titanate thin films by FTIR and spectroscopic ellipsometry

(BaTiO₃)_{1? x} (CeO₂) _x (with x?=?0,?1,?3,?5.7 and 16 at.%) thin films were prepared by electron beam evaporation method. According to X-ray diffraction, nanosized and amorphous Ce-doped barium titanate thin films were obtained. The crystallinity diminished as Ce content increased. The increase in the Ce slightly shifts the absorption peaks at 433–450 and 416–424?cm^?1 to higher wavenumbers. A two-layer model was used to describe the experimental ellipsometric data. The Bruggeman effective medium approximation (BEMA) was used to describe the surface roughness layer and the Cauchy dispersion relation was used to describe the main Ce-doped barium titanate layer. The refractive index and the extinction coefficient were found to increase with increasing Ce content; however, the optical band gap decreased with increasing Ce content. The accurate determination of the optical constants of Ce-doped barium titanate thin films may favor them in the applications of optical thin film devices.     

Structural,optical and electrical properties of 60 MeV C5+ ion-irradiated poly(3-methylthiophene) films

The structural, optical and electrical properties of 60 MeV C⁵⁺ ion-irradiated poly(3-methylthiophene) (P3MT) synthesized by the chemical oxidation polymerization method have been studied. The P3MT powder was dissolved in chloroform (CHCl₃), and thin films of thickness 2 μm were prepared on glass and Si substrates. The polymerization was confirmed by the FTIR spectrum. Then films were irradiated by 60 MeV C⁵⁺ ions at different fluences. FTIR spectra show methyl group evolution after irradiation. The optical band gap decreases slightly after irradiation and the DC conductivity increases by about one order of magnitude after irradiation at the highest fluence. The role of S _e has also been discussed when compared with 60 MeV Si⁵⁺ ion irradiation of P3MT. The morphological changes are observed using SEM.