双金属合金团簇M12Ni(M=Pt,Sn,Cu)催化甲烷干法重整反应的理论研究

利用密度泛函理论(DFT)研究了M₁₂Ni(M=Pt, Sn, Cu) 3种双金属合金团簇的电子活性和结构稳定性, 并探讨了甲烷干法重整反应(DRM)在M₁₂Ni双金属团簇表面的反应能量变化情况. 经比较发现甲烷脱氢和二氧化碳活化过程在Pt₁₂Ni团簇表面进行需克服的活化能垒最低, 反应最易进行. Sn₁₂Ni团簇上生成碳需要较高的活化能, 说明Sn₁₂Ni团簇能够有效抑制焦碳的生成, 一定程度上克服了碳沉积导致的催化剂失活现象, 并且Sn₁₂Ni团簇在C ^*和CH ^*氧化过程中表现出最佳的催化活性. Cu₁₂Ni团簇仅在甲烷脱氢过程中表现出较为优异的催化活性.     

Analytical particular solutions of augmented polyharmonic spline associated with Mindlin plate model

Analytical particular solutions of the augmented polyharmonic spline (APS) associated with the polyharmonic and poly‐Helmholtz operators and their products were derived by Tsai et al. (Eng Anal Bound Elem 33 (2009), 514). In addition, it has been mentioned that the particular solution associated with a coupled system of partial differential equations (PDEs) can be derived from the prescribed solutions by using the Hörmander operator decomposition technique. In this article, this derivation procedure is demonstrated via Mindlin thick‐plate problems, which are governed by a coupled system of three second‐order PDEs. Analytical particular solutions of displacements, shear forces, and bending or twisting moments corresponding to the polyharmonic spline and monomials are all explicitly derived. These particular solutions are validated using numerical examples. © 2011 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2011     

Improving Catalytic Stability and Coke Resistance of Ni/Al2O3 Catalysts with Ce Promoter for Relatively Low Temperature Dry Reforming of Methane Reaction

Aseries of Ni catalysts supported on alumina with different Ce contents(1.0%-6.0%, mass fraction) was prepared by the impregnation method and used for dry reforming of methane(DRM) at a relatively low temperature of 650 ^oC. The promotion effect of Ce with different loading amounts on the physicochemical properties of the catalysts was systematically characterized by transmission electron microscopy(TEM), X-ray diffraction(XRD), N₂ adsorption-desorption, thermo elemental IRIS Intrepid inductively coupled plasma atomic emission spectrometer (ICP-AES), UV-visible diffuse reflectance spectroscopy(UV-Vis DRS), Fourier transformation infrared(FTIR) spectra, H₂-temperature programmed reduction(H₂-TPR) analysis, H₂-temperature programmed desorption(H₂-TPD), and the X-ray photoelectron spectroscopy(XPS) techniques. The results indicate that all the catalysts mainly exist in the NiAl₂O₄ phase after being calcined at 750 ^oC with small Ni particle sizes due to the strong metal-support interaction derived from the reduction of the NiAl₂O₄ phase. The Ce-promoted catalysts show better catalytic performance as well as the resistance against sintering of Ni particles and deposition of carbon compared to the Ni/Al₂O₃ catalyst. The Ni-6Ce/Al₂O₃ exhibits the best catalytic stability and coke resistance among the four catalysts studied, which is due to its small Ni nanoparticles sizes, excellent reducibility as well as high amount of active oxygen species. In a 400 h stability test for DRM reaction at 650 ^oC, Ni-6Ce/Al₂O₃ exhibits less coke deposition and small growth of Ni nanoparticles. This work provides a simple way to preparing the Ni-Ce/Al₂O₃ catalyst with enhanced catalytic performance in DRM. The Ni-6Ce/Al₂O₃ catalyst has great potential for industrial application due to its anti-sintering ability and resistance to carbon deposition.     

确定递阶层次结构的简便方法

运用层次分析法(AHP)解决决策问题时,第一步就是要确定问题的递阶层次结构.对此,现有文献中给出的数学方法都是基于可达矩阵的,它通常需要借助计算机来完成.在文中充分考虑到AHP递阶层次结构的特点严格的逐层相关性及元素间无互相关性,给出一种非常简单的方法—划列法(DRM),并严格证明了其正确性,然后通过举例给予说明.该方法使递阶层次结构的确定不必再进行可达矩阵等计算,只依靠手工即可完成.     

基于GPU求解椭圆型偏微分方程的并行算法

针对求解椭圆型偏微分方程的雅克比迭代算法和DRM算法进行基于GPU的CUDA加速算法研究.通过两个算例在GTX570显卡上对GPU加速算法进行验证.结果表明,在保证运算精度的前提下,雅克比迭代的GPU加速效率最高,在DOUBLE类型下的加速比可达到14倍左右,效率可达到53%左右;DRM算法在DOUBLE类型下的加速比最高可达到3.8倍,效率达到15%左右.     

DUAL RECIPROCITY BOUNDARY ELEMENT METHOD FOR FLEXURAL WAVES IN THIN PLATE WITH CUTOUT

The theoretical analysis and numerical calculation of scattering of elastic waves and dynamic stress concentrations in the thin plate with the cutout was studied using dual reciprocity boundary element method (DRM). Based on the work equivalent law, the dual reciprocity boundary integral equations for flexural waves in the thin plate were established using static fundamental solution. As illustration, numerical results for the dynamic stress concentration factors in the thin plate with a circular hole are given. The results obtained demonstrate good agreement with other reported results and show high accuracy.     

含孔薄板弯曲波动的双互易边界元法

采用双互易边界元法对开孔无限大薄板弹性波的散射与动应力集中问题进行理论分析和数值计算．基于功的互等定理,采用静力基本解建立了薄板弯曲波动问题的双互易边界积分方程．作为数值算例,计算了圆孔附近的动应力集中系数,通过与已有结果进行比较,表明该方法简单有效并能够保证计算精度．     

炸药TATB/粘结剂的短脉冲冲击起爆阈值测量

利用金属箔电爆炸驱动聚酯薄膜飞片产生短脉冲冲击波的加载技术(电炮),依据DRM(Delayed Robbins-Monro)实验程序,研究了炸药TATB/粘结剂在各种激励条件下的短脉冲冲击起爆特性,获得了其50%起爆概率条件下的短脉冲冲击起爆阈值,及实验条件下其短脉冲冲击起爆判据为:lnp=0.205-0.87lnτ。并与相同条件下TATB/HMX为基的高聚物粘结炸药的短脉冲冲击起爆阈值进行了比较。结果表明飞片面积和压力脉宽均对炸药的短脉冲冲击起爆阈值有重要影响,与TATB/HMX为基的高聚物粘结炸药相比,TATB/粘结剂更钝感。