微乳液的热力学性质 I: 芳烃类的侧链链长对微乳液热力学函数影响

本文研究以非离子型表面活性剂-正辛醇-水-芳烃类所组成的微乳液, 探讨醇从油相转移到界面相时的自由能变化, 以及温度对自由能的影响。计算出熵和焓的变化, 发现在实验范围内, 上述热力学函数的对数值与芳烃侧链的碳原子数(n)呈线性关系。这些关系式对微乳液的构成和稳定性的讨论是重要的, 还对几种芳烃异构体所构成的微乳液的热力学函数进行了实验和讨论。     

镧系三氟化物的SCF-Xα-SW研究

对10个镧系元素(Ln)三氟化物进行了非相对论和相对论SCF-Xα-SW计算, 通过能级、轨道、结合能及布居数对比, 讨论化学键本质: 共价键中4f轨道的作用及相对论效应,结果表明, LnF3中Ln原子轨道参与成键的次序是: 轻稀土d>f>p>s, 而重稀土则有f>d>p>s。相对效应使Ln4f能级上移, 扩大了与F2p能级的距离, 减弱成键。原子序数增大, Ln4f能级下移, F2p能级距离缩小, 使重稀土氟化物中成键增强, 结合能计算值与实验值定性趋势一致, 重稀土氟化物电离能的计算表明, 相对论方案是获得定量符合所应该采用的。     

CH_2CH(~2A')自由基与臭氧反应机理的理论研究

用量子化学MP2（full）方法,在6－311+ +G~(**)基组水平上研究了CH_2CH (~2A~＇)自由基与臭氧反应的机理,全参数优化了反应过程中反应物、中间体、过 渡态和产物的几何构型,在QCISD（T,full）/6-311+ +G~(**)水平上计算了它们的 能量,并对它们进行了振动分析,以确定中间体和过渡态的真实性,研究结果表明 ：CH_2CH(~2A~＇)自由基与臭氧反应有两条可行的反应通道,分别为：CH_2CH (~2A~＇)+O_3→TS1→M1→TS2→O_2+OCH_2CH→TS4+O_2→O_2(~3∑_g)+CH_2CHO (~2A~＂)和CH_2CH(~2A~＇)+O_3→M2→TS3→O_2(~3∑_g)+CHO(~2A~＂),后一个反 应通道较容易发生,而且反应活化能小（2.97kJ/mol）,说明CH_2CH(~2A~＇)自由 基与臭氧之间的反应活性很强。     

VALUE DISTRIBUTION THEORY AND DIOPHANTINE APPROXIMATION

In this paper, we will introduce some problems and results between Diophantine approximation and value distribution theory.     

On Naked Black Holes

The recently proposed criteria for naked blackholes are conveniently rephrased. It is shown that twosolutions of dilaton-Maxwell gravity, satisfying weakenergy conditions, represent naked blackholes.     

Sparling Two-Forms, the Conformal Factor and the Gravitational Energy Density of the Teleparallel Equivalent of General Relativity

It has been shown recently that within the framework of the teleparallel equivalent of general relativity (TEGR) it is possible to define the energy density of the gravitational field in a unique way. The tegr amounts to an alternative formulation of Einstein's general relativity, not to an alternative gravity theory. The localizability of the gravitational energy has been investigated in a number of spacetimes with distinct topologies, and the outcome of these analyses agree with previously known results regarding the exact expression of the gravitational energy, and/or with the specific properties of the spacetime manifold. In this article we establish a relationship between the expression of the gravitational energy density of the TEGR and the Sparling two-forms, which are known to be closely connected with the gravitational energy. We will also show that our expression of energy yields the correct value of gravitational mass contained in the conformal factor of the metric field.     

Preparation of zeolite-incorporated PDMS membranes for pervaporation separation of isopropanol-water mixtures

ZSM-5 zeolite-incorporated poly(dimethyl siloxane) membranes were prepared and molecular dispersion of zeolite in the membrane matrix was confirmed by scanning electron microscopy. After studying the behavior of membrane swelling at 30°C, the membranes were subjected to pervaporation separation of isopropanol-water mixtures at 30, 40 and 50°C. The effects of zeolite loading and feed composition on the pervaporation performances of the membranes were analyzed. Both permeation flux and selectivity increased simultaneously with increasing zeolite content in the membrane matrix. This was discussed on the basis of the enhancement of hydrophobicity, selective adsorption, and the establishment of molecular sieving action. The membrane containing the highest zeolite loading (30 mass%) exhibits the highest separation selectivity of 80.84 and flux of 6.78 × 10^?2kg/m²h at 30°C for 5 mass% of isopropanol in the feed. From the temperature dependency of diffusion and permeation values, the Arrhenius activation parameters were estimated. A pure membrane (M) exhibits higher E_p and E_D values compared to zeolite-incorporated membranes, signifying that permeation and diffusion require more energy for transport through a pure membrane, owing to its dense nature. Obviously, zeolite-incorporated membranes require less energy due to their molecular sieving action attributed to the presence of straight and sinusoidal channels in the framework of zeolite. All the zeolite-incorporated membranes exhibit positive ΔH_s values, suggesting that the heat of sorption is dominated by the Henry's mode of sorption.     

Inhomogeneous Universe Models with Varying Cosmological Term

The evolution of a class of inhomogeneous spherically symmetric universe models possessing a varying cosmological term and a material fluid, with an adiabatic index either constant or not, is studied.     

Thermodynamic Properties of Radiation near the Black-Hole Horizon

With the approach of statistical physics we derive the thermodynamic functions for the scalar radiation near the horizon of a Schwarzschild black hole. The state equations are obtained, which are different from that obtained from the special relativity by the equivalence principle. The thermodynamic equilibrium can be achieved only if where T is the (local) temperature and is the red-shift factor, as the box containing the radiation approaches the horizon. The spectral distribution equation and the displacement law are obtained, which differ from the Planck distribution and the Wien's displacement law. The results can be easily extended to the electromagnetic radiation.     

铬天青S的液/液界面离子转移过程

本文研究了酸性染料显色剂铬天青S的液/液界面离子转移行为, 用循环伏安法和电流扫描计时电位法研究了铬天青S在水/硝基苯和水/1,2-二氯乙烷两种界面上的离子转移过程, 根据铬在青S在溶液中的离解平衡和电化学性质, 讨论了界面离子转移机理,研究了基础电解质和溶剂对铬天青S转移性能的影响, 在Britton-Robinson缓冲溶液中测得半波电位PH曲线与理论公式相一致, 由本法所得离解常数与文献值接近, 计算了转移离子的标准转移电位和标准吉布斯转移能。