基于1H NMR测定和基团贡献法预测石油馏分的热化学性质

测定了两种原油 2 0个石油馏分的¹H NMR谱和氢、碳元素含量等结构参数 ,以及馏分的燃烧焓、蒸发焓等热化学性质 .假设每个石油馏分仅由CH₃ 、CH₂ 、CH、ACH和C这 5种简单基团构成 ,基于¹H NMR测定和元素分析结果解出石油馏分平均分子结构中的基团数目 ,再用纯有机物的基团贡献法预测石油馏分的燃烧焓、蒸发焓 ,预测值与实验数据吻合良好     

高氯酸化三邻菲啰啉合铜(Ⅱ)的合成及晶体结构

合成了过渡金属元素Cu与1,10-邻菲啉的配合物并进行了元素分析、红外光谱等表征,测定了配合物的晶体结构。配合物组成为[Cu(phen)3](ClO4)2,属于单斜晶系,P2(1)/n空间群。配合物中金属离子Cu2+处于N6的配位环境,配位构型为六配位的拉长八面体。     

聚酰胺共混物的结构与性能

就近年来国内聚酰胺共混物的形态结构、相容性、流变行为、力学性质四方面的研究进展作一综述。     

On the hierarchy of the influences of porous and electronic structures of carbonaceous materials on parameters of molecular storage devices

The relation between porous structure, electronic properties of carbonaceous material and the capacitance of its interface with an electrolyte is discussed. It is shown that, in an electric double-layer, the contribution of pseudocapacitive charge accumulation is determined, mainly, by the position of Fermi level in the carbonaceous material and depends on thermodynamic parameters of ions in the electolytic solution. The sizes of the pores in which the processes of capacitive and pseudocapacitive charge accumulation dominate are determined. Theoretical analysis of the processes taking place on the nanoporous carbon|electrolyte interface has made it possible to recognize the intercalative nature of pseudocapacity and to find the criterion of its manifestation in the form of the formation of a continuous series of stable valency phases.     

EIS and GITT studies on oxide cathodes, O2-Li(2/3)+x(Co0.15Mn0.85)O2 (x=0 and 1/3)

Li ion kinetics in the O2-phase layered manganese oxides, Li_2/3(Co_0.15Mn_0.85)O₂ (O2(Li)) and Li_(2/3)+x(Co_0.15Mn_0.85)O₂ (x=1/3 (O2(Li+x))), has been studied by the electrochemical impedance spectroscopy (EIS) and galvanostatic intermittent titration technique (GITT) at room temperature and the results were correlated with the observed cathodic behaviour. Both compounds show a reversible capacity of ∼180 mA h/g at low current density (∼5 mA/g). EIS studies as a function of cycle number show an increased contribution of resistance associated with surface film formation and bulk contribution which is in agreement with the increased capacity fading observed in O2(Li+x) after 10-15 cycles. The Li ion diffusion coefficient (D_Li) vs voltage plots show minima during the first charge cycle coinciding with the irreversible plateau of the voltage vs capacity profiles reflecting the irreversible phase change in both the compounds. The values of D_Li (GITT method) observed for the second and subsequent cycles (≤6) in the full voltage range (3.0-4.4 V) are 2×10⁻¹¹-10×10⁻¹¹ cm²/s for O2(Li+x) and 0.5×10⁻¹⁰-3.0×10⁻¹⁰ cm²/s for O2(Li). Variation of D_Li as a function of cycle number (up to 35) indicates that, in addition to the interface kinetics, changes in the D_Li values with cycling also contribute to the capacity fading of the compounds, especially in O2(Li+x).     

不同预处理条件下纤维素的结构变化及其在DMAc／LiCI中的溶解

介绍了乙二胺、氢氧化钠和高温等三种不同的纤维素预处理方法。研究预处理后纤维素的结构变化，讨论预处理过程中的转化机理，并通过X射线衍射对纤维素结晶度的变化进行表征，证明乙二胺预处理后纤维素的结晶度下降最大。纤维素经过预处理后可以溶解在DMAc／LiCI中，讨论其溶解机理，通过对比三种预处理纤维素的溶解性能，表明经过乙二胺预处理之后的纤维素在DMAc／LiCI中溶解性能最好，氢氧化钠预处理的纤维素次之，高温预处理的纤维素溶解性能相对较差。     

自重施加方式对高拱坝廊道结构应力及配筋的影响

自重工况一般是高拱坝内廊道配筋设计的控制工况,由于高拱坝施工过程的特殊性及复杂性,有限元计算中自重有多种施加方式。结合工程实例,对高拱坝基础廊道结构进行三维有限元分析,比较不同自重施加方式对廊道结构应力及配筋的影响。研究结果表明:按整体自重考虑时,廊道结构应力及配筋面积明显偏小;全部按分缝自重考虑时,廊道结构应力及配筋面积明显大于按施工过程考虑自重的结果;为符合实际施工过程及结构承载规律,保证结构安全及经济合理,在拱坝结构的有限元计算中应按照施工过程考虑自重荷载。该研究成果对泄洪孔结构的应力分析也具有参考价值。     

熔加色素法搪瓷色釉结构的研究

用ＳＥＭ、ＷＤＳ、ＩＲＲＳ、ＸＰＳ和ＡＳＳ对搪瓷色釉结构进行了研究熔加法的搪瓷色釉具有均匀分布的小尺寸、数量小的气孔。分析了搪瓷色釉的Ｏ１ｓ谱，并分解了成桥氧、非桥氧、及自由氧。熔加法的桥氧浓度远大于磨加法，而熔加法的非桥氧的浓度远低于磨加法，这表明熔加法的搪瓷色釉的结构强度高于磨加法。     

70500系列调节阀在大型尿素装置中的应用

介绍Ｍａｓｏｎｅｉｌａｎ公司生产的７０５００系列调节阀的结构，特点，并阐述部分调节阀在使用中存在的问题及改进措施。     

An EXAFS study on oxidic and sulfided K-MoO3/γ-Al2O3 catalysts

By analyzing the extended X-ray absorption fine structure (EXAFS) of the Mo K-absorption edge, structural information for both oxidic and sulfided K-MoO₃/-Al₂O₃ catalysts with different potassium content was obtained. The oxidic samples show two backscatterer peaks in the radial distribution function (RDF), which correspond to the Mo-O coordinations in the nearest Mo-O shell. The nearest oxygen atoms are present with large configurational disorder. The RDF for the K/Mo = 0 sample is significantly different from that for crystalline MoO₃ and ammonium heptamolybdate. The RDFs for potassium promoted samples are, in some extent, similar to that for ammonium heptamolybdate. The sample with K/Mo = 0.8 and that with K/Mo=1.5 do not show obvious difference in their local Mo-O structures. The EXAFS results support the earlier conclusions from Raman spectroscopy studies on identical samples [7]. When the samples are sulfided, a rearrangement of the local neighbors around Mo atoms takes place, to form small MoS₂-like crystallites. The Mo-S and Mo-Mo coordination distances on these catalysts are the same as those in crystalline MoS₂, but the coordination numbers are significantly lower than in MoS₂. The EXAFS results indicate that Mo species on the K/Mo=0 catalyst mainly consist of Mo-S-Mo units (the basic building units of MoS₂), which are highly dispersed and show a higher level of disorder than in MoS₂. With the modification by the potassium promoter, Mo species are significantly aggregated and their local neighbors are more similar to those in MoS₂, but the Mo species still exist in a state of high dispersion.