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41.
Gui-Chang Wang Ling Jiang Yoshitada Morikawa Junji Nakamura Zun-Sheng Cai Yin-Ming Pan Xue-Zhuang Zhao 《Surface science》2004,570(3):205-217
The adsorption behavior and thermal activation of carbon dioxide on the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces have been investigated by means of density functional theory calculations and cluster models and periodic slabs. According to the cluster models, the optimized results indicate that the basis set of C and O atoms has a distinct effect on the adsorption energy, but an indistinct one on the equilibrium geometry. For the CO2/Cu(hkl) adsorption systems studied here, the final structure of adsorbed CO2 is near linear and the preferred modes for the adsorption of CO2 onto the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces are the side-on adsorption at the cross bridge site with an adsorption energy of 13.06 kJ/mol, the side-on adsorption at the short bridge site (13.54 kJ/mol), and the end-on adsorption on the on-top site with C–O bonds located along the short bridge site (26.01 kJ/mol), respectively. However, the calculated adsorption energies from periodic slabs are lower as compared to the experimental data as well as the cluster model data, indicating that the periodic slab approach of generalized gradient approximation in the density function theory may be not suitable to obtain quantitative information on the interaction of CO2 with Cu(hkl) surfaces. 相似文献
42.
研究了纤维双相15Mn2Nb钢组织的形成及对性能的影响.结果表明,纤维双相钢具有优异的强塑性匹配,是一种天然的复合材料.其纤维组织的获取主要取决于合金化和热处理工艺规程,而合金元素Nb阻碍铁素体再结晶是形成纤维组织的关键. 相似文献
43.
Hynd Remita Prem Felix Siril Israel-Martyr Mbomekalle Bineta Keita Louis Nadjo 《Journal of Solid State Electrochemistry》2006,10(7):506-511
Three Pt-based catalysts prepared in different radiolytic conditions and supported on graphite powder were packed into a carbon paste electrode configuration. They were compared to each other, to the commercial (Pt) deposited on activated carbon powder (Johnson Matthey) and to pure Vulcan XC-72 for their respective abilities toward the hydrogen evolution reaction (HER). The Tafel parameters were determined for all these electrodes. From the I–V curves and their quantitative treatment, the following order of activity emerged unambiguously and reads: (PtCO)2 (fcc structure) > (PtCO)1 (Chini cluster) > (Pt)neat > (Pt)JM (Johnson Matthey) ≫ (Vulcan XC-72). As expected, all the Pt-loaded electrodes were more efficient than Vulcan XC-72. The classification appears to be linked with the mean nanoparticle size, and for comparable sizes, with the surface morphology of the materials. The results and the stability of the electrodes suggest that the small particle sizes and the good dispersity on the carbon support were maintained during the HER. 相似文献
44.
The corrosion inhibition of 1-(2-pyridylazo)-2-naphthol (PAR) on the corrosion of cold rolled steel in 0.5 M sulfuric acid (H2SO4) was studied using weight loss method and potentiodynamic polarization method. Results obtained revealed that together with chloride ion, PAR is an effective corrosion inhibitor for steel corrosion in sulfuric acid. It was found that for steel corrosion inhibition in the presence of single PAR in sulfuric acid the Temkin adsorption isotherm may be used to explain the adsorption phenomenon. For the mixture of PAR and NaCl used as corrosion inhibitor, however, the Langmuir adsorption isotherm can be used to satisfactorily elucidate the adsorption of mixture of PAR and NaCl. Potentiodynamic polarization studies showed that single PAR mainly acts as a cathodic inhibitor for the corrosion of steel in 0.5 M sulfuric acid. The mixture of PAR and chloride ion, however, acts as a mixed type inhibitor that mainly inhibits cathodic reaction of the steel corrosion in sulfuric acid. By means of electrochemical polarization tests, a desorption potential at ca. −370 mV was observed for the adsorption of mixture of PAR and chloride ion, when potential reaches this value, adsorbed inhibitor molecule heavily departs from the steel surface. For the mixture of PAR and chloride ion, thermodynamic parameters such as adsorption heat, adsorption entropy and adsorption free energy were obtained from experimental data of the temperature studies of the inhibition process at four temperatures ranging from 30 to 45 °C, the kinetic data such as apparent activation energies and pre-exponential factors at different concentrations of the inhibitor were calculated, and the effect of the apparent activation energies and pre-exponential factors on the corrosion rates of cold rolled steel was discussed. The most suitable range of inhibitor concentration was discussed. The inhibitive action was satisfactorily explained by using both thermodynamic and kinetic models. Synergism between chloride ion and PAR was proposed. The results obtained from weight loss and potentiodynamic polarization were in good agreement. 相似文献
45.
Near-edge X-ray absorption spectroscopy (NEXAFS) is widely used to probe the chemistry and structure of surface layers. Moreover, using ultra-high brilliance polarised synchrotron light sources, it is possible to determine the molecular alignment of ultra-thin surface films. However, the quantitative analysis of NEXAFS data is complicated by many experimental factors and, historically, the essential methods of calibration, normalisation and artefact removal are presented in the literature in a somewhat fragmented manner, thus hindering their integrated implementation as well as their further development. This paper outlines a unified, systematic approach to the collection and quantitative analysis of NEXAFS data with a particular focus upon carbon K-edge spectra. As a consequence, we show that current methods neglect several important aspects of the data analysis process, which we address with a combination of novel and adapted techniques. We discuss multiple approaches in solving the issues commonly encountered in the analysis of NEXAFS data, revealing the inherent assumptions of each approach and providing guidelines for assessing their appropriateness in a broad range of experimental situations. 相似文献
46.
郑洪 《浙江大学学报(理学版)》1996,23(4):342-347
本文介绍了一种钢卷尺刻度在线测量系统 ,它采用了高速摄像及计算机数据处理技术 ,文章阐述了系统的非接触动态测量原理 ,描述了光电信号的处理方法 . 相似文献
47.
本文介绍了面向矿山特种结构工程的一个专家系统,并论述了程序设计的原理、系统的功能,以及与AUTOCAD软件包的接口。 相似文献
48.
载波钝化和钼酸盐后处理对不锈钢钝化膜性能的影响 总被引:1,自引:1,他引:1
一般认为交流电对金属的腐蚀过程具有加速作用,但我们发现,在直流电位基础上叠加适当波形、幅值和频率的交流电对不锈钢进行载波钝化,尔后再进行适当后处理可使钝化膜的稳定性提高,我们曾就不经后处理的载波钝化过程进行过探讨,本文着重探讨钼酸盐后处理对载波钝化膜表面状态和化学稳定性改善的作用机理。 相似文献
49.
稀土复合变质对新型铸造热锻模具钢组织与性能的影响 总被引:8,自引:1,他引:8
研究了稀土复合变质对新型铸造热锻模具钢(CHD钢)组织与性能的组织。结果表明,稀土复合变质能细化晶粒,并且随着稀土量的增加。细化效果明显;加入适量的稀土复合变质后,夹杂物数量明显减少,夹杂物趋于球化并均匀地分布在钢中,形态和分布得以了改善,向钢中加入稀土进行复合变质,能促进贝氏体、奥氏体和位错亚结构的形成,细化马氏体板条。当残留稀土含量为0.02%时,CHD钢的硬度、强度变化不大,断裂韧性(KIC)和疲劳裂纹扩展门槛值(△Kth)有所提高,冲击韧性、延伸率、断面收缩率提高了近一倍,抗热疲劳性能也最好。 相似文献
50.
Carbon Nanotubes in Analytical Sciences 总被引:1,自引:0,他引:1
Arben Merkoçi 《Mikrochimica acta》2006,152(3-4):157-174