Oxidative dehydrogenation of propane over Ni-Mo-Mg-O catalysts

In this work, a series of Ni-Mo-Mg-O catalysts with mesoporous structure prepared by sol-gel method were investigated for the oxidative dehydrogenation of propane (ODHP). The techniques of temperature-programmed reduction with H2 (H2-TPR), N2 adsorption-desorption, Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD) and X-ray photoelectron spectra (XPS) were employed for catalyst characterization. It is found that the activity of the catalysts for ODHP increases first and then decreases with the increase of Mo content. The catalyst with a Mo/Ni atomic ratio of 1/1 exhibits the best catalytic activity, which gives the propene selectivity of 81.4% at a propane conversion of 11.3% under 600°C and maintains the good catalytic performance for 22 h on stream. This is related not only to its high reducibility and dispersion as revealed by TPR and XRD, but also to the formation of more selective oxygen species on the MoOx-NiO interface as identified by XPS.     

火焰原子吸收光谱法测定红土镍矿中铜、锌、铬含量

红土镍矿样品用盐酸、硝酸分解,残渣用焦硫酸钾熔融,在稀盐酸介质中,采用氘灯扣除背景,分别用原子吸收光谱仪于波长324.8,213.9,357.9 nm处,使用空气–乙炔火焰,测量铜、锌、铬的含量。在最佳实验条件下,铜、锌、铬的质量浓度分别在0.50～2.50,0.30～1.50,0.50～4.50 mg/L范围内与吸光度线性关系良好,相关系数r分别为0.9986,0.9943,0.9942。方法检出限铜为0.0067 mg/L,锌为0.0010 mg/L,铬为0.0014 mg/L,加标回收率为95.0%～105.7%。精密度试验验证铜、锌、铬的含量分别在0.01%～0.50%,0.01%～1.00%,0.01%～4.00%范围内重复性和再现性较好。此方法适合于红土镍矿中铜、锌、铬含量的测定。     

Synthesis and pharmacological analysis of high affinity melatonin receptor ligands

We report the synthesis and radioligand binding analysis of a series of naphthalenic melatonin receptor ligands, N-[2-(7-alkoxy-2-methoxy-1-naphthyl)ethyl]propionamide. This series of ligands exhibits subpicomolar binding affinity to both MT1 and MT2 melatonin receptors expressed in chinese hamster ovary (CHO) cells.     

计算液态混合物内能和内压的统计热力学理论

假定二元液态混合物分子间的相互作用势能可以表示成多体相互作用势能的和,分子间的力为短程力,相互作用势能只与分子间的相对距离有关.利用分布函数理论导出了二元液态混合物的过剩内能和内压的公式.二元液态混合物的过剩内能和内压可以表示成体积的幂级数形式,其中的系数可以用多体相互作用势和多体径向分布函数表出.讨论了单元液体的内压和过剩内能的表达式,在两种特殊情形下,过剩内能和内压的表达式分别与Egelstaff的微扰论结果及Frank的实验结果具有相同的形式.讨论了二元混合物内压和内能的两个特例,其一,在特殊情形下,给出了混合液体过剩内能的混合规则的一个证明.其二,给出的二元混合物的过剩内能和内压的表达式与Frank的实验结果具有相同的形式.     

Linear response time-dependent density functional theory for van der Waals coefficients

A linear response time-dependent density functional theory is described and used to calculate the dynamic polarizabilities and van der Waals C(6) coefficients of complex atom pairs. We present values of C(6) for dimers of main group atoms and the first row of transition metal atoms.     

Chemical Speciation of Amphoteric Ions on Semi‐Dry Scrubber Residue and Bag‐House Ash from MSWI

Two series of size‐fractionated combusted residues, a bag‐house ash and a scrubber residue, from a municipal solid waste incinerator (MSWI) were prepared and extracted by means of sequential chemical extraction (SCE) procedures proposed by Tessier. Concentrations of water‐soluble phase, exchangeable phase, carbonated phase, Fe/Mn oxide phase, organic matter phase, and residual phase bound amphoteric metals (Pb and Zn) were obtained, and have been compared with those of single batch extraction of toxic characteristic leaching procedure (TCLP). In each size fraction of baghouse ash or scrubber residue, lead or zinc shows a common phenomena that the TCLP value is always lower than the content of the water‐soluble fraction. For lead, baghouse ash has a significant size‐dependent distribution on the water‐soluble phase to perform a size‐dependent test of lead in the TCLP test. The zinc TCLP data having less size dependence might be due to that neither the baghouse ash nor the scrubber residue has a size‐dependent distribution on the water‐soluble zinc phase.     

A density functional study on the formation of charge transfer complexes between alkaloids and iodine monochloride

The formation of charge-transfer (CT) complexes between N-methyl-6,7-methylenedioxy-tetrahydro-4-isoquinolone (MMDTIQ, the model molecule of alkaloids) and iodine monochloride has been studied with the density functional B3LYP method. The competition for ICl between n-donor(s) and π-donor in the same molecule has been compared for the first time. The results indicate that the electron-donating ability of various donor sites decreases in the following order: amino nitrogen>carbonyl oxygen>etheric oxygen≈aromatic ring. Complexes with a stoichiometry of 1:1 to 1:5 (MMDTIQ–ICl) might form. Among complexes with a given stoichiometry, the one in which the phenyl ring is involved in the binding is always the least stable. According to these results, in order to ensure an alkaloid iodinated, the amount of ICl should be far beyond that of alkaloids and a low polar solvent should be used, which is quite in agreement with our recent experimental results.     

氯离子柱撑水滑石共沉淀法合成反应动力学

根据氯离子型层状复合氢氧化物(LDH-Cl)制备过程中溶液浓度变化的监测结果和不同反应进程时产物的EDS、IR、XRD、TEM、TG-DTA表征结果,研究了合成LDH-Cl的共沉淀反应动力学特征及机理.实验结果表明, LDH-Cl的生成符合多核层表面反应动力学模型;反应过程中LDH的晶胞参数c从2.421 nm变为2.399 nm,通道高度h由0.3321 nm减小为0.3228 nm,粒子直径Da由6.40 nm增大为15.16 nm, Dc由7.43 nm增大到10.93 nm,纵横比由0.86增大为1.39; IR和TG-DTA特征变化表明了层板对阴离子作用的强度和层板的结构稳定性随反应进程而提高.     

多支链烷基苯磺酸钠水溶液的表面性质

用自制的四种高纯度多支链烷基苯磺酸钠,研究了支链结构对其表面性质的影响.结果表明,随支链烷基碳数增加,临界胶束浓度降低,标准吸附自由能DGadӨ更负;但是,饱和吸附量Γmax却随支链烷基碳数增加而减小,且临界胶束浓度时的表面张力γcmc随吸附量减小而降低,表现出与一般表面活性剂不同的变化趋势.从多支链烷基苯磺酸钠的分子结构特点,解释了随支链烷基碳数增加Γmax和γcmc的变化规律,探讨了分子的独占面积(as)对Γmax及γcmc的影响.     

金属载体催化剂的涂层研究

在高温氧化处理不同时间的金属载体箔片上涂覆MgAl2O4/Al2O3过渡涂层,利用TG-DSC,XRD,SEM,BET和超声振动等分析测试技术,对载体和涂层的微观结构与表面特性进行研究.结果表明,在950 ℃下高温氧化5 h,箔片表面生成板状Al2O3晶须,有利于增强涂层与箔片的附着力.在载体表面涂覆一层MgAl2O4/Al2O3过渡涂层,有助于提高活性组分与金属载体的结合力,可以获得高结合强度的涂层结构,促使活性元素高度分散.