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41.
An anomalous rate enhancement with increasing conversion has been observed during the liquid phase hydrogenation of nitrobenzene and crotonaldehyde over Ge/Pd/C catalysts at ambient temperature and atmospheric pressure. Inductive coupled plasma atomic emission spectroscopy and electrochemical measurement of the oxidation state of catalysts during reaction revealed that the bimetallic particles were partially oxidized by the reactants, which resulted in Ge-dissolution and increased exposure of Pd on the surface. It is proposed that the surface and bulk composition of Ge/Pd catalysts are a function of their oxidation state. This behaviour is due to the unusually high mobility of Ge in the Pd lattice and to the good solubility of GeO2 in polar solvents. The influence of hydrogen transport on the corrosion process and the stability of other X/Pd type bimetallic catalysts during liquid phase hydrogenation are also discussed. 相似文献
42.
43.
甲基偶氮四唑热稳定性和热分解机理的量子化学研究 总被引:2,自引:0,他引:2
采用量子化学方法全优化计算了1—甲基—5—偶氮四唑(1—MAT)和2—甲基—5—偶氮四唑(2—MAT)热分解反应位能曲线,探讨了热稳定性和分解机理。热分解活化能计算值分别为245.9,183.2k/mo1,静态分子结构和动态分解性质都显示出1—MAT比2—MAT有更好的热稳定性。裂解优先以开环方式发生。 相似文献
44.
Influence of the composition of the binder and the carbonation on the zeta potential values of hardened cementitious materials 总被引:1,自引:0,他引:1
Electroosmotic experiments have been carried out on eight different mixes of hardened cementitious matrixes including concrete, mortar and pastes, different types of binders, carbonated and non-carbonated specimens and different test conditions. From these trials, the zeta potential values have been determined and the optimum experimental parameters and devices have been established. In addition, the influence of the composition of the binder on the zeta potential has been quantified indicating that higher amounts of Al2O3 in the binder lead to higher positive values of zeta potential, while the SiO2 acts just on the opposite side. This has been explained in terms of the different i.e.p. (isoelectric point) for both oxides. Concerning the influence of carbonation, it increases the absolute value of the zeta potential toward more negative values; this behaviour has been attributed to the influence of the specifically adsorbed Ca2+ in the negative sites of the surface in the non-carbonated samples. 相似文献
45.
基于理想流体,将进水塔简化成水中悬臂梁体系,推导了其受迫振动时的动力响应方程,给出了进水塔内外表面动水压力的解析表达式。与有限元法、水工抗震规范公式计算结果进行了对比,分析验证了该方法在进水塔结构上的适用性及准确性。结果表明:动水压力表达式与结构振型密切相关。该方法的动水压力曲线趋势与有限元方法相似,均在水面以下某深度处迅速变大及达到最大值后曲线值减小弯回,两者最终在塔体底部收于相近的值;最大值大于有限元法,其最大值处曲线折回明显,幅度较大。弹性模量和进水塔高度对动水压力的曲线形态和数值有重要影响。同时,输入激励荷载的频率对动水压力影响巨大,尤其频率与进水塔某阶频率相近时会导致动水压力的异常增大。该方法对分析进水塔动水压力具有参考价值。 相似文献
46.
We present a simple and fast algorithm to test the thermodynamic stability and determine the necessary chemical environment for the production of a multiternary material, relative to competing phases and compounds formed from the constituent elements. If the material is found to be stable, the region of stability, in terms of the constituent elemental chemical potentials, is determined from the intersection points of hypersurfaces in an (n−1)-dimensional chemical potential space, where n is the number of atomic species in the material. The input required is the free energy of formation of the material itself, and that of all competing phases. Output consists of the result of the test of stability, the intersection points in the chemical potential space and the competing phase to which they relate, and, for two- and three-dimensional spaces, a file which may be used for visualization of the stability region. We specify the use of the program by applying it both to a ternary system and to a quaternary system. The algorithm automates essential analysis of the thermodynamic stability of a material. This analysis consists of a process which is lengthy for ternary materials, and becomes much more complicated when studying materials of four or more constituent elements, which have become of increased interest in recent years for technological applications such as energy harvesting and optoelectronics. The algorithm will therefore be of great benefit to the theoretical and computational study of such materials. 相似文献
47.
电沉积锌钴磷合金时阴极行为的研究 总被引:3,自引:1,他引:3
用动电位扫描法研究了在氯化物镀液中电沉积Zn-Co-P合金时的阴极行为。认为在镀液中加入配体柠檬酸钠可以提高阴极极化。加入次磷酸钠有利于合金镀层的形成。 相似文献
48.
The crystal structure of urea-polyethylene complex in the hexagonal form, obtained by one of our preparation methods, is analysed by X-ray power diffractometry. In this analysis, the fixed molecular parameters of urea are used, and three models with respect to rotational disorder of the guest polyethylene molecule are assumed. It is shown that the host lattice structure constructed by urea molecules is essentially the same as that of urea-n-paraffin complex. Effects of the disorder structure of the guest on X-ray scattering of the complex are presented. However, there is a difficulty in identifying the disorder structure by X-ray analysis. With the aid of a potential energy calculation between the hexagonal urea tunnel and the guest molecule, a rotational disorder model is preferred. 相似文献
49.
2,6-萘二甲酸二甲酯与一些二甲基萘所形成的激基复合物 总被引:1,自引:0,他引:1
2,6-萘二甲酸二甲酯与一些二甲基萘可以形成激基复合物。本文通过稳态和动态荧光光谱研究了这类激基复合物的形成与分子结构的关系。结果表明,尽管这些二甲基萘的电离能基本相同,但因取代基位置不同使分子中电荷分布不同,从而影响了激基复合物的形成能力。 相似文献
50.
Elsa Corts-Montero María Rodríguez-Muoz M. Carmen Ruiz-Cantero Enrique J. Cobos Pilar Snchez-Blzquez Javier Garzn-Nio 《International journal of molecular sciences》2021,22(1)
Transient receptor potential ankyrin member 1 (TRPA1) belongs to the family of thermo TRP cation channels that detect harmful temperatures, acids and numerous chemical pollutants. TRPA1 is expressed in nervous tissue, where it participates in the genesis of nociceptive signals in response to noxious stimuli and mediates mechanical hyperalgesia and allodynia associated with different neuropathies. The glutamate N-methyl-d-aspartate receptor (NMDAR), which plays a relevant role in allodynia to mechanical stimuli, is connected via histidine triad nucleotide-binding protein 1 (HINT1) and type 1 sigma receptor (σ1R) to mu-opioid receptors (MORs), which mediate the most potent pain relief. Notably, neuropathic pain causes a reduction in MOR antinociceptive efficacy, which can be reversed by blocking spinal NMDARs and TRPA1 channels. Thus, we studied whether TRPA1 channels form complexes with MORs and NMDARs that may be implicated in the aforementioned nociceptive signals. Our data suggest that TRPA1 channels functionally associate with MORs, delta opioid receptors and NMDARs in the dorsal root ganglia, the spinal cord and brain areas. These associations were altered in response to pharmacological interventions and the induction of inflammatory and also neuropathic pain. The MOR-TRPA1 and NMDAR-TRPA1 associations do not require HINT1 or σ1R but appear to be mediated by calcium-activated calmodulin. Thus, TRPA1 channels may associate with NMDARs to promote ascending acute and chronic pain signals and to control MOR antinociception. 相似文献