Studies on basicity of alkali metal catron exchanged β and X zeolites by pyrrole-IR spectroscopy

The strength of basic sites has been measured by pyrrole-IR on alkali metal cation exchanged β and X zeolites, as well as NaOH loaded Naβ. The influence of cation type and the structure of zeolites on their basicity has been studied. The acidic and basic properties of the samples were investigated by NH3-TPD and isopropanol reaction. It was shown that the strength of basic sites on samples could be characterized by the shift of vNH band in the pyrrole-IR spectra. The framework oxygen charges were calculated from the Sanderson electronegativity. The changes in basic properties with various alkali metal cation are consistent with the changes of local oxygen charges of the zeolite framework.     

固体间界面的物理模型和界面对声波的反射

简要描述了模拟两固体间界面特性的弹簧模型，该模型最早是根据静力学方法提出的，后来用固体间界面薄层的声波反射方法加以改进，从界面弹簧模型可以方便地得到界面外近似边界条件，其中包含界面“弹簧”振子的劲度常数和质量，文章还给出了两相间固体中界面声反射系数的表达式，介绍了测量界面劲度常数的超声反射谱方法。最后讨论了仍关声波与界面相互作用研究领域中最近的一些研究进展。     

Structural and thermodynamic properties of AlB2 compound

We employ a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter (HGH) scheme in the frame of DFT to calculate the equilibrium lattice parameters and the thermodynamic properties of AlB₂ compound with hcp structure. The obtained lattice parameters are in good agreement with the available experimental data and those calculated by others. Through the quasi-harmonic Debye model, obtained successfully are the dependences of the normalized lattice parameters a/a₀ and c/c₀ on pressure P, the normalized primitive cell volume V/V₀ on pressure P, the variation of the thermal expansion α with pressure P and temperature T, as well as the Debye temperature \Theta_D and the heat capacity C_V on pressure P and temperature T.     

木质素在塑料中的应用

总结了国内外近10年来木质素在塑料中的应用进展，重点对木质素在PVC、PP、PE、PF、PU等5个方面的研究成果进行了系统阐述，并对该技术的发展方向进行了分析预测。     

烟气中Hg的氧化机理的研究

本文对Ｈｇ与Ｃｌ２在烟气中的氧化反应进行了热力平衡计算和动力学计算。平衡计算的结果表明有ＣＩ元索存在时Ｈｇ的氧化率为１００％，而在相同的条件下动力学计算纺果为Ｈｇ的氧化率在２０％～８０％之间变化，与实验结果吻合。实际的氧化反应是一种超平衡状态，不能达到理想的平衡状态。因此应采用动力学与热力平衡分析相结合的方法研究Ｈｇ在烟气中的反应机理。同时，计算结果显示Ｃｌ含量对Ｈｇ的氧化率的影响很大．     

Synthesis and Reactions of Some New Pyrrolylfuro[2,3‐d]Pyrimidines and Pyrrolopyrazinofuropyrimidines

5‐Amino‐4‐methyl‐2‐phenyl‐6‐substitutedfuro[2,3‐d]pyrimidines ( 2a‐c ) were reacted with 2,5‐dimethoxytetrahydrfuran to afford the pyrrolyl derivatives 3a‐c . Compound 3a was chosen as intermediate for the synthesis of poly fused heterocycles incorporated furopyrimidines moiety 4–11 . Some of the synthesized compounds were screened for their antibacterial and antifungal activities.     

直接置换法制备包覆型纳米铜-银双金属粉末

 以AgNO₃为主盐，采用直接置换法初步制备了包覆型纳米铜-银双金属粉末，分析了工艺条件对包覆效果的影响，并用透射电子显微镜、X射线能量色散谱仪和X射线衍射仪进行了表征。实验结果表明：纳米铜-银双金属粉末为包覆型结构，平均粒径约70 nm，分散性较好，表面银的原子分数达到74.28%。在洗涤过程中加入一定量的保护剂，有效解决了纳米铜粉的氧化问题。     

The effects of doubly excited states on ionization balance

The effects of highly doubly excited states on ionization balance are investigated. In the calculation, A Collisional-Radiative model in Detailed-Configuration-Accounting (DCA) is applied to population calculations for NLTE plasmas. Configuration-averaged rate coefficients that needed in the rate equations are obtained based on the first order perturbation theory. The Hatree-Fock-Slater self-consistent-field method is used to calculate the electron wave functions. The mean ionization stage of high-Z plasma Lu is presented. The comparison shows that the mean ionization stage increases more than 3 stages when doubly excited states 5l6l' and 5l5l' are not included in the population calculations.     

两纠缠原子之一与腔场相互作用过程的纠缠研究

使一对纠缠的二能级原子之一与单模真空腔场发生共振相互作用,通过选择不同的演化时间,对这个三体系统的其中之一做选择性测量,可调节另外两体的纠缠状态。在不做测量时,研究了在不同的初始状态下,三体纠缠及三体中两两纠缠的演化特性。结果表明,该体系纠缠都呈现周期性的振荡,特别是,通过选择合适的初始状态和演化时间可生成强壮纠缠态———W纠缠态;在特定演化时刻,可使两纠缠原子的纠缠信息完全转化到腔外原子和腔场中去。