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991.
992.
We present a method for computing classical Newtonian trajectories that minimize the path length or transit time from reactant
to product. Our approach is based on a generalization of the fast-marching method, which allows us to construct the solution
of the Hamilton-Jacobi equation for the action that optimizes the desired quantity. The resulting “reactive paths” can be
interpreted as reaction coordinates but, unlike more conventional choices, they contain dynamical information about the chemical
system of interest. 相似文献
993.
Sung Woo Moon Gun-Dae Lee Seong Soo Park Seong-Soo Hong 《Reaction Kinetics and Catalysis Letters》2004,82(2):303-310
Catalytic combustion of chlorobenzene over supported vanadium oxides has been investigated. TiO2 was prepared by the sol-gel method from titanium isopropoxide. The supported vanadium oxide catalysts have been prepared
by precipitation-deposition and impregnation method and characterized by XRD, FT-Raman and TPR. In the VOx/TiO2catalysts prepared using the impregnation method, when vanadium loading reaches 3 wt.%, the activity shows a maximum. However,
in the VOx/TiO2catalysts prepared by precipitation-deposition, when vanadium loading reaches 7 wt.%, the activity shows a maximum. This result
suggests that the precipitation-deposition can yield a higher metal loading on the support and a high dispersion compared
to the impregnation method.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
994.
A.A. Ahmed I.M. Youssof A.F. Abbas O. Abou Eleinen 《Journal of Sol-Gel Science and Technology》1998,13(1-3):753-756
The chemical durability of lead glass tumblers (24% PbO) in a 4% (v/v) acetic acid solution before and after coating with sol-gel derived SiO2 films was assessed to determine the extent of reduction in Pb-leaching that can be achieved. It was found that by coating the internal surface of the glass tumblers with 1 ml of 10% TEOS solutions at 100°C and densifying the coating formed at 500°C for 1 h, it was possible to reduce Pb-leaching to about one quarter of that of the uncoated glass. 相似文献
995.
镀金层识别及其厚度测定的X—荧光强度比值法 总被引:3,自引:0,他引:3
利用Au原子在X射线激发下所发射的Lβ线和M线的强度比值识别样品是镀金还是K金,同时利用这个比值测定镀金层的厚度,镀金层厚度的测定范围为0~4μm,测定值与标定值的相对误差小于15%。 相似文献
996.
杂原子B—ZSM—35沸石的干法合成,表征及CO+H2反应性能的研究 总被引:4,自引:2,他引:4
首次利用吸附态模板剂在Na2O-SiO2-B2O3-DEA干粉体系中合成了杂原子B-SZM-35沸石,XRD,SEM,IR,及CO加氢反应研究了其物理化学特性。结果表明,B原子同晶取代Al原子进入ZSM-35沸石骨加。 相似文献
997.
恒电流库仑法测定基准试剂三氧化二砷的含量 总被引:2,自引:0,他引:2
用恒电流库仑法测定基准试剂三氧化二砷的含量,以恒电流通过含有碘化钾,基准试剂三氧化二砷试样的弱碱性水溶液,利用工作电极铂阳极上电生滴定剂I2与亚砷酸盐定量反应,以死停终点法确定滴定终点,测量出电解电流和电解时间,根据法拉第电解定律并利用EXCEL计算出基准试剂三氧化二砷的含量。方法的回收率为100%。 相似文献
998.
A multireference configurational interaction method based on the separated electron pair (SEP) wave functions, SEP‐CI approach, has been developed as an approximation to the traditional CASSCF method. It differs from the CASSCF method in that active orbitals are obtained from the SEP wave function without further optimization in the subsequent CI calculations, and the active space is automatically constructed according to the occupation coefficients of SEP natural orbitals. These features make the present SEP‐CI method computationally much less demanding than the CASSCF method. The applicability of the SEP‐CI method is illustrated with sample calculations on the insertion reaction of BeH2 and dissociation energies of LiH, BH, FH, H2O, and N2. © 2005 Wiley Periodicals, Inc. J Comput Chem 27: 39–47, 2006 相似文献
999.
Marie-Noelle Avettand-Fènoël N. David G. Reumont J. -M. Fiorani M. Vilasi P. Perrot 《Journal of Thermal Analysis and Calorimetry》2007,90(2):329-332
The Fe-Sn-Zn system is of interest because Sn is one element added to the Zn galvanizing bath to overcome the drawbacks due
to the presence of Si in semi-killed steels. This work has been undertaken with the aim to understand the tin effect on the
microstructure and the layers growth in batch galvanized coatings on low alloyed steels.
Various experimental techniques such as metallography, scanning electron microscopy (SEM) coupled with X-ray energy dispersive
spectroscopy (EDX) are used in order to characterize the microstructure and the properties of such coatings elaborated in
a zinc bath enriched with tin.
Solidification phenomena and layers growth mechanisms during galvanization are explained by means of the ternary phase diagram
Fe-Sn-Zn at 450°C. The Calphad method allows to obtain this phase diagram from the three optimized binary phase diagrams Fe-Sn,
Fe-Zn and Sn-Zn and some experimental data inside the ternary Fe-Sn-Zn system. 相似文献
1000.
茶叶中痕量硒的催化极谱法测定陈安民,江丽蓉(绵阳农业专科学校中心实验室,绵阳621000)关键词:催化极谱法,痕量硒硒是人体必需的微量元素之一,富硒茶乃是一种很理想的富硒食品。在我国以陕西紫阳县及湖北恩施两地出产的茶叶含硒最高(平均0.7μg/g),... 相似文献