低温太阳热能与化学链燃烧相结合控制CO2分离动力系统

本文探索并提出控制CO2分离的低温太阳热能与清洁合成燃料甲醇-三氧化二铁化学链燃烧相结合的新颖能源动力系统。基于图象(?)分析方法,明确地指出甲醇化学链燃烧能量释放过程燃烧堋损失减小和低温太阳热能品位提升的机理。从能源有效利用和环境相容出发,研究和揭示化学链燃烧与太阳能有机整合共同减小CO2分离能耗的特性规律。相比不分离常规联合循环,新系统(?)效率提高约6．2个百分点;与分离CO2的联合循环相比,新系统媚效率提高约14．2个百分点。同时,低温太阳热能热转功效率可达到22．5％。     

VOn±(n=0,1,2)的势能函数与光谱常数研究

用密度泛函B3LYP/6-311++G(d,p)方法和相对论有效实势(Lanl2dz基组)对VO^n±(n=0,1,2)分子离子的势能函数及光谱常数进行了分析. 结果表明它们都能稳定存在, 其基态电子状态分别是:⁴Σ(VO^2-), ³Σ(VO^-), ⁴Σ(VO), ³Σ(VO⁺)和²Σ(VO²⁺). 其中VO^2-和VO²⁺的势能函数曲线呈“火山口”型, 属于亚稳态分子离子. 用七参数Murell-Sorbie势拟合VO^2-和VO²⁺分子亚稳态双原子分子离子势能函数, 发现其拟合曲线与势能函数曲线符合得很好. 同时,讨论了电荷对势能函数和能级的影响. 关键词： 分子离子 密度泛函理论 势能函数 能级     

Application of the finite Hankel transform to a diffusion problem without azimuthal symmetry

The problem treated in this paper concerns calculating the evolution of the pressure in a single-phase, slightly compressible fluid in a porous medium consisting of communicating layers. The fluid is produced through a point sink located on the side of an otherwise sealed cylindrical wellbore. This location of the sink causes the flow around the wellbore to be azimuthally asymmetric.The problem is solved through successive application of Laplace, finite Fourier and finite Hankel transforms. Although apparently straightforward, this approach leads to serious numerical difficulties. The published form of the inversion formula for the finite Hankel transform leads to inaccurate computation for the higher azimuthal modes even with 128 bit arithmetic. An alternative form is developed which enables accurate evaluation of the solution with the more practical 64 bit arithmetic. The technique for two-layer solution presented here can be directly extended to a problem with a larger number of communicating layers. This is the first instance of successful application of the finite Hankel transform to an azimuthally asymmetric diffusion problem.     

126Cs的高自旋态能级结构

利用融合蒸发反应¹¹⁶Cd(¹⁴N,4n)¹²⁶Cs布居了¹²⁶Cs的高自旋态.观测到了100多条新的γ跃迁和相应的能级,建立了双奇核¹²⁶Cs由9个转动带构成的能级纲图.尝试性地指定了大部分能级的自旋和宇称以及各转动带的Nilsson单粒子组态.极大地丰富了已有的实验结果.     

中子俘获瞬发γ射线数据评价(英文)

简要地介绍了中子俘获瞬发γ射线数据及其衰变纲图的评价方法技术、主要程序及其功能、数据评价流程、强度平衡检验，以及对A=1-44的稳定核素和A>190的部分稳定核素的热中子俘获瞬发γ射线数据及其衰变纲图评价的具体应用.The method of prompt γ-ray data evaluation for neutron capture and how to calculate the prompt γ-ray intensities of neutron capture have been briefly presented. The prompt γ-ray data of thermal-neutron capture of some stable nuclei for A=1-44 and A>190 have been evaluated. The ENSDF format has been adopted. The checks of intensity balance and format have been made. The examples are given to illustrate its application.     

Damage and fracture evaluation of granular composite materials by digital image correlation method

This paper presents the applications of digital image correlation technique to the mesoscopic damage and fracture study of some granular based composite materials including steelfiber reinforced concrete, sandstone and crystal-polymer composite. The deformation fields of the composite materials resulted from stress localization were obtained by the correlation computation of the surface images with loading steps and thus the related damage prediction and fracture parameters were evaluated. The correlation searching could be performed either directly based on the gray levels of the digital images or from the wavelet transform (WT) coefficients of the transform spectrum. The latter was developed by the authors and showed higher resolution and sensitivity to the singularity detection. Because the displacement components came from the rough surfaces of the composite materials without any coats of gratings or fringes of optical interferometry, both surface profiles and the deformation fields of the composites were visualized which was helpful to compare each other to analyze the damage of those heterogeneous materials. The project supported by the National Natural Science Foundation of China (10125211 and 10072002), the Scientific Committee of Yunnan Province for the Program of Steel Fiber Reinforced Concrete, and the Institute of Chemical Materials, CAEP at Mianyang     

Quantum-Chemical Evaluation of the Protolytic Properties of Thiophenols

The enthalpies and free energies of proton affinity (PA) were calculated by the PM3 method for 27 thiophenoxide anions. For thiophenols, linear correlation has been found between the PAs and the values of pK _a measured by different authors in aqueous acetone, aqueous ethanol, and methanol media. The dependences found permit one to predict a priori the protolytic properties of thiophenols. The differential effects of aqueous ethanol media with different ethanol contents on thiophenol acidity were evaluated based on quantum-chemical data.Original Russian Text Copyright © 2004 by A. N. Pankratov and A. V. Shalabai__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 800–806, September–October, 2004.     

高剥离类镁等电子序列的磁偶极M1和电四极E2光谱跃迁理论研究

利用全相对论性多组态Dirac-Fock广义平均能级方法，系统地计算了类镁离子3s3p磁偶极Ml^3P2--^3P1和电四极E2 ^2P2--^3P0(Z=20-103)光谱跃迁的能级间隔、跃迁几率和振子强度。计算中考虑了原子核的有限体积效应，进行了高阶Breit修正和QED修正，所得到的能级间隔和最近的实验数据及理论计算值进行了比较。计算结果表明：高原子序数的高荷电离子的磁偶极矩M1和电四极矩E2跃迁几率和中性原子的电偶极E1的相当，在ICF和MCF高温激光等离子体中，磁偶极矩M1和电四极矩E2跃迁过程不容被忽视。     

Propagator matrices as matrices of power''s series. II. It''s relationship with HF''s stability problem and alternative solutions

Some non-singlet quasi-instabilities (QIs) cases that arise in the calculation of NMR-J parameters are analyzed within response theory. The relationship between ‘very close to zero’ eigenvalues of the principal propagator and the rate of convergency for specific coupling pathways is shown by a power series implemented to calculate the principal propagator matrix. A natural criterion for the analysis of the stability problem emerges from that series. This is more general and accurate compared with previous proposals. Its relationship with π-type molecular orbitals is given. We present an alternative scheme to minimize the effects of non-singlet QIs in such a way that the NMR-J parameters become close to the best theoretical calculations for H₂CX (X=CH₂, NH and O).     

基于"纵横向拉开档次法"的上市公司经营业绩评价

鉴于目前已具有较全面、完整、连续的有关上市公司各项指标的纵横向数据，为充分利用数据所蕴涵的信息，本文提出运用“纵横向拉开档次”的综合评价方法，其特点是使指标权重的确定能尽量将被评价对象在纵横向拉开档次。将该法运用于安徽地方板块的18家上市公司业绩评价，获得了各公司在1999～2001年间动态发展的分析结果。