The composition adsorption isotherms (ya~xg curve) for acetone-n-hexane, benzene-n-hexane, toluene-n-hexane and n-pentance-n-hexane vapor mixtures on silica gel with different surface coverage (θ) at 25℃ were measured. The experimental results indicated that the ya ~ xg curves approached gradually down to corresponding binary liquid-vapor equllibrium curves with increasing of surface coverage. Therefore, the binary adsorbed phases are similarly with the binary liquid phase. Except for acetone-n-hexane system, which had a minimum boiling point, the composition adsorption isotherms of the other three binary systems could be simulated by equation of relative volatility.

The appearance of [Cu-O-Cu]2+ species with increasing temperature is observed by in situ infrared spectra. [Cu-O-Cu]2+ is formed by dehydrated dimer composed of two Cu(OH)+. Low copper content sample needs higher temperature to form [Cu-O-Cu]2+ than high copper-conten ones. Cu2+ ions can be reduced to Cu+ by release of oxygen from [Cu-O-Cu]2+. In oxygen atmosphere, an equilibrium can be reached between the oxygen in [Cu-O-Cu]2+ and the oxygen in gas phase at high temperature. The property of extra-lattice oxygen is an important factor in determining the change of copper valence.

 WO3/ZrO2 catalysts prepared from Zr(OH)4 and crystallized ZrO2 have been characterized by means of XRD, LRS (qualitative and quantitative), and the specific sufrace area has been measured. The influence of the preparation method, the contents of WO3 in the samples and the calcination tempearture on the specific surface areas of the samples, the phase of support and the structural states of active component has been studied. The results show: (1) WO3 can disperse on ZrO2 as a monolayer; (2) WO3 dispersed on Zr(OH)4 as a monolayer retards the crystalline growth of the support on calcination, makes it crystallizing into a metastable tetra nal modification, and prevents the inter- crystalline sintering between the crystallites of ZrO2. These factors would result in an increase in the specific surface area of WO3／ZrO2 prepared from Zr(OH)4. As the content of WO3 in the sample comes up to its monolayer capacity, this effect is displayed most fully. A chemical reaction can occur between WO3 and Zr(OH)4 (or the tetra nal ZrO2) at a high temperature(800℃)，producing some superacid sites on the surface. By these views, the main experimental facts published in the literatures can been interpreted satisfactotily.

In this work, Cetyl Rhodamine B(CERB) was used as a main fluorescent probe in studying the micellization of Pluronic F-68 ((EO)78(PO)30(EO)78) in water. Results indicated that the critical micelle concentration of Pluronic F-68 was strongly dependent on the temperature, with the rise of temperature the CMC decresced. The miroviscosity of micelles formed was also affected by the temperature and increased with the temperature in range 25 ~ 42℃. This phenomenon was attributed to the contraction of PEO chain with the rise of temperature. Whereas the miroviscosity of the core of micelle which was formed by PPO chain decreased when temperature rised in range from 25℃ to 50℃.

The interactions between C60 molecules in solid state are calculated by the potential model (exp-6-1). The states of C6o molecules in solid are given at room temperature and at lower temperature. C60 molecule rotates rapidly at room temperature; the rotation rate decreases and the rotational axes tend to ordering as temperature becomes lower. And at about 260K the structure under es a first-order phase transiton from the high-temperature FCC phase to the ordered SC structure. The molecule equivalence above 260K is now broken by rorating the four molecules through the same angle but around different <111> axes: the molecule at (0,0,0) around [111], that at (1/2,1/2,0) around [111], that at (0,1/2,1/2) around [111] and at (1/2,0.1/2) around [111]. At about 90K, the system under es a second-order phase transition-----glass transition.

The coalescence process between two small drops of different sizes in pure liquid-liquid dispersions has been studied. When two small drops approach each other, a dimpled thin liquid film is formed between them. A model is developed for the dynamics of the thinning film in which the influence of London-van der Waals force has been considered. The model predicts that the coalescence time, which is the time required for the thinning and rupture of the liquid film, can be expressed only by the radii of the drops and the physical properties of two phases.  A wide range of viscosity ratio of dispersed phase to continuous phase is examined, so that the theoretical prediction is also valid for bubble coalescence in a liquid. It is shown that the coalescence times are strongly dependent on the viscosity ratios. The prediction results are in od agreement with the previous experimental results.

 Photoionization of (C2H3Cl)2 molecular clusters has been studied using synchrotron radiation. The "Intramolecular" ion-molecule reactions within ionized clusters has been observed. The reaction product C4H5Cl+ is very stable and it is not van der Waals weakly bond complex. The reaction mechanism has been discussed preliminarily.

The scaled a6 initio 6-31G* ESP charges for three kinds of conformations (Ci, D3d, C1) of 18-crown-6 were calculated by MNDO. The conformation energies and structures were calculated by molecular mechanics. The results showed that the changes of charge-distribution in different conformations influenced the conformation energies significantly. Using the electronegative charges, the energies and structures were also obtained from molecular mechanics. The results were in od agreement with those using the MNDO scaling 6-31G* ESP charges. It suggested that the electronegativities could be used as the force field paratmeters in calculating various conformation energies in molecular mechanics and molecular dynamics. 

ESR and spin trapping-ESR method was used to study the photocatalytic oxidation of carbazole at surface of CdS particle. Carbazole nitroxyl radical was first obtained and its haif period is about 10 ~ 20min , g value is 2.0060. The resuts also show that the production of carbazole nitroxyl radical may be described by degenerated branch chain reaction scheme.

 Electrochemical oxidation reduction cycle (ORC) is the most common way to create SERS activity at silver electrode surfaces. In the present study, two different types of ORC procedures, a special ORC and a normal ORC, have been used. The reduction potential of the special ORC was about -1.3V, negative to the potential of zero charge (PZC), while for the normal ORC, that was around -0.3 V, positive to the PZC. The SERS activity created by the special ORC was stable at the potentials negative to the PZC and that created by the special ORC was stable at the potentials negative to the PZC and that created by the normal ORC was stable at the potentials positive to the PZC. Using STM and SERS, it was found that the highly actives SERS sites were metastable and liable to decompose as the applied potential approach to the PZC due to the rearrangement of the surface atoms (clusters). To avoid the decomposition, a high concentration of Cl- was used so that the SERS active sites could be stabilized as the potential passed across the PNC and the SERS spectra of water at the potential negative or positive to the PZC were able to be obtained under this condition. Therefore, SERS activity can be extended to much wider region. A comparison of the SERS behavior created by the two types of ORC is discussed in detail.

The metabolic thermograms and DSC curves of the mitochondria isolated from rice have been determined by using an LKB 2277 bioactivity monitor and a Dupont 910 DSC & 9900 Computer/Thermal Analyzer System. The thermodynamics and kinetics of the rice mitochondrial metabolism out of the cell have been studied. The metabolic thermograms of the rice mitochondria show different stages. If the rice mitochondria have been laid up for different times, the metabolic thermograms and kinetic behaviours of the rice mitochondria are different. Some thermodynamic values and kinetic parameters, as well as some new experimental thermokinetic equations in the activity increasing stage of the rice mitochondria, have been calculated and established. Furthermore, the thermodynamic and kinetic behaviour of the rice mitochondria in the metabolism out of the cell under changeable and low temperatures have been approached preliminarily.

Anodic passive films formed on Fe60Ni40 in H3BO3-Na2B4O7 buffer solution (pH=9.20) and in H3PO4-Na2HPO4 buffer solution (pH=7.41) have been investigated by XPS. By analysis of the chemical states of elements, components and structure of films, we have probed into the mechanism of the formation of the anodic passive films. In the H3BO3-Na2B4O7 buffer solution (pH=9.20), the formation of passive film was controlled by adsorption of OH-, and the growth of the passive film was a function of passivation potential and time in passive range. The duplex structure, the Fe、Ni/FeOx、NiO/FeOOH、Ni(OH)2 was confirmed by detailed peak analysis and profiling. In H3PO4-NiHPO4 buffer solution(PH=7.41), the formation of passive film was controlled by competitive react, that is, cations of anodic dissolution reacted with anions such as PO43- and OH- et al in solution to form compacted deposit films of the phosphate phase.

A set of force field parameters for the radical cation of diazabicycle alkane are derived by "substracting" nonbonded molecular mechanics energies (MM2 method) from corresponding molecular orbital energies (MNDO method) using a model compound containing the chemical structure to be parameterized. A general discussion of the N, N’ two-center three electrones bond in radical cations. The results are satisfactory.

The effects of oleic acid concentrations, neutralization ratio, added salts and partially hydrolyzed polyacrylamide(HPAM) on the transient interfacial tension between oleic acid-sodium oleate mixed aqueous solution and crude oil were studied by spinning drop method. The results indicated that the equilibrium time of interfacial tension decrease as the concentrations of surfactant increase. When polymer was added to the aqueous solution the equilibrium time became longer. The effect of NaCl concentration was relatively complicated. At the optimum salinity the time effect was the shortest.

The electron information of the molecules, cholesterol, chromium-and cuppercholesterol complexes, was calculated by CNDO/M. And, using the interaction potential function method, the intermolecular interaction energies between cholesterols, the complexes, and Cu2+ , Zn2+, Cd2+, Cr3+-cholesterol complexes were obtained. Based on the interaction energy, the medical role of biometals in hypercholesterolemia concerned with arteriosclerosis were explained successfully.

The supersaturated solution of Li2O•2B2O3-H2O containing 26.8% Li2O•2B2O3 were prepared and kept at 20℃ The crystallization processes of Li-borates from the solution has been studied with the kinetic method.
Two Li-borates, Li2B4O7•3H2O and LiBO2•8H2O crystallized out from Li2O•2B2O3-H2O solution. With the aid of simplex method and digital integration as well as RungeKutta digital solution of differential equation system, the experimental data were fitted and the crystailization kinetic equation of the first solid phase was obtained. The crystallization reaction processes of the two Li-borates were also discussed.

The Cu2p XPS satellites of high-Tc superconductors are compared with one of the Cu2+-containing compounds with different bonding type. The results show that Cu-O bonds in high-Tc superconductors are a blend of covalent and ionic. The contribution of covalent bonding to Cu-O bonds is greater for high-Tc superconductors than for CuO. The average partial charge on oxygen (-δO) are calculated for a number of high-Tc superconductors. A correlation between Tc and -δO has been found, i.e. the Tc increases with decreasing –δO.