The surface structure of Cu, Al and γ Al2O3 have been investigated by SEELFS and obtained nearest neighbor distances of the central atoms. The value s compared with those calculated according to theories shows that the errors wer e about 0.01－0.03nm before correcting the phase shifts. These results show the possibility of performing SEELFS technique by Auger electron spectrometer.

The state and thermal decomposition behavior of Mg(NO3)2 on γ-Al2O3 at different Mg loading were studied by XRD and TG DTA. The basicity of M /γ-Al2O3 with different Mg loading was investigated by CO2 TPD and compared with t hat of Mg Al mixed oxides derived from hydrotalcite. Results show that Mg(NO3)2 can disperse on γ Al2O3 as a monolayer and its dispersion determines the dispersion threshold of M on γ-Al2O3. Mg(NO3)2 in dispersion state has lower decomposition temperature than that in crystal state. The amount of basic sites per square meter on the surface of M /γ-Al2O3 shows a highest value around the loading of threshold, which indicates that the basicity of M /γ-Al2O3 originates from M in dispersion state. The basicity of M /γ-Al2O3 around the thresh old loading is comparable and even superior to that of Mg(Al)O derived from hydrotalcite. Since the texture and specific area of γ-Al2O3 can be easily adapted and there are various kinds of commercial γ-Al2O3 available, M /γ-Al2O3 is a promising solid base that may be found in use.

The molecular structural parameters of indophenol and its derivatives were calculated by semi empirical molecular orbital quantum chemical method. The relation between molecular structural parameters and formal potentials was analyzed by principal factor analysis and multiple linear regression method. It was found that the formal potential of indophenols has a od relation with two cent er electron exchange energy, Eex(2), resonance energy of O-C bond, Eex(C1-O),and molecular ionization potential, Ip, among 19 molecular structural parameters. The regression equation is E0′= 1.47×10－3 Eex(two)－5.74×10－2 Eex(C1－O)－1.41 ×10－2 Ip with RC=0.9999 and SD=0.00424.It was confirmed by the relation between structure parameters and formal potentials, and the thermodynamic stability of its intermediate products that the H＋ionization is prior to the electron transfer step in the oxidation mechanism.

Emulsifier free emulsion polymerization of styrene in acetone water medium has been carried out using microwave irradiation. Below acetone content o f 50％, narrowly distributed nanoparticles stable in water were obtained. The average particle hydrodynamic radius <Rh> is decreased from 278 to 35.4 nm with an increase in acetone content in the range 0－50 ％. When the initiator amount is kept constant, the <Rh> value is increased and is proportional to the monomer concentration, in the range from 1.2 to 7.0％. When the monomer concentration is kept costant and the initiator concentration is decreased (from 0.27 to 0.027 ％ ) the <Rh> value is decreased from 25 to 22 nm and then increased. On the basis that the initiator, potassium persulfate (KPS), acts as a source of surface char ge and ionic strength, both has the stabilizing and coagulating effects in the polymerization process, we have successfully found a simple formula to describe t he relationship between the particle size <Rh> and mass ratio (m_monomer / m_initiator). Adding a few amount of methyl methacrylate(MMA) monomer, the size of the copolymer particles remarkably decreases from 35.4 to 16.0 nm. It has been shown that the increased stability of the resulted dispersion is due to the increase of surface hydrophilicity of latex particles. The stability and uniformity of th e final latex does not change any more before and after the vacuum distillation of the acetone from the dispersions. Consequently, we can get a high concentration latexes very conveniently by simply distill out the acetone from the latex solution.

The porous SiO2 xerogels with controlled texture were obtained from TE OS in the presence of AEO by sol gel method. It was found that the addition amount and molecular weight of AEO and ageing time of SiO2 AEO sol could adjust the textural properties of SiO2 xerogels, and AEO in the xerogel had different thermal stability when the SiO2 AEO xerogel being heated under different atmospheres .As a result, It has been found that the SiO2 xerogel showed stronger flexible skeleton, narrower pore distribution, and higher thermal stability after heat treatment.

Interactions of the potassium promoter with different kinds of iron oxide as the active component of the catalyst for ethylbenzene dehydrogenation we re investigated and compared with each other. By means of XRD method, it was found that magnetite in the form of the inverse spinel structure interacted easily with the potassium promoter to form potassium polyferrate in comparison to hematite with the corundum structure. In the Fe3O4 K2O system, the phase of potassium polyferrate could be formed at temperature of ～700℃,while for the α Fe2O3 K2 O system, the temperature as high as ～850℃was required for the formation of the potassium polyferrate phase. Moreover, incorporation of the potassium promoter in to the magnetite(Fe3O4) would be in favor of inhibiting the oxidation of Fe3O4 t o α Fe2O3 in the process of calcination in air, as evidenced by the experimental fact that pure Fe3O4 could be converted into α-Fe2O3 by calcination in air a t a temperature as low as ～300℃,whereas for the system of Fe3O4 K2O (10％),a calcination temperature not lower than ～700℃was required for realizing this conversion. Thus, it could be suggested that the potassium polyferrate was probable to serve as a storage phase for potassium in the catalyst of ethylbenzene dehydrogenation to styrene. 

Based on the principle of the sum of inductive polarity vectors proposed by us, we have designed a new method containing an energy term associated with the sum of inductive polarity vectors for the calculations of the standard enthalpies of formation. Compared with other methods, the new method has a higher calculation accuracy, it contains less calculation parameters, every term has a definite physical meaning. It can also be extended to calculate theoretically the standard enthalpies of fomation of alkane derivatives with some hetero atoms on a carbon atom.

The relationship between the surface coverage of nanoparticles and the intensity of surface enhanced Raman scattering(SERS) in a two dimensional ld nanoparticulate film was studied. High enhancement was observed due to the nanoparticle substrate electromagnetic coupling and the contribution of chemical enhancement. It was found that SERS intensity increased linearly at lower coverage, then negatively deflected from the initial line, and finally reached a plateau at increased coverages. It was also found that larger nanoparticles were more effective in Raman enhancement.

A systematic study was undertaken in supercritical carbon dioxide to absorb thymol, benzyl carbinol and alcohol into polyurethane by a simple gravimetric method. The uptake of small molecule in PU had been observed with the changes of the factors such as temperature, pressure of supercritical carbon dioxide, absorption time and dimension of PU. Moreover, the mass change of PU after treatment was observed and the impregnation mechanism of small molecule was discussed to explain the experimental results.

An extented molecular distance-edge (MDE,μ) vector of chain hydrocarbons including alkanes, alkens, alkynes, dienes, and alkenynes are defined and calculated. Quantitative structure property relationship (M1) on boiling point of chain hydrocarbons is proposed by multiple linear regression method with od results: root mean square error RMS=4.69K and correlation coefficient R=0.9976. Random sampling modeling and cross validation (CV) procedure are also performed and satisfactory results have been obtained with average correlation coefficient being R=0.9975, 0.9971 and average RMS=4.72K,4.83K respectively. In order to generalize MDE for other organic compounds ,a novel molecular distance edge (MDE) vector, which can be applied to discribe the molecular structure of both fatty aldehydes and fatty alkanones, is developed by using dying factors to express the carboxyl ( > CO) based on a molecular distance edge (MDE) vector of alkanes. and the QSPR model between the new MDE vector and boiling point (Tb) is also developed for 72 aldehyde and alkanone compounds with od results: R=0.9989 and RMS=3.93K.Random modeling procedure is also performed with average correlation coefficient being R=0.9990 and average root mean square error RMS=4.12K; and quantitative prediction is done with R=0.9980 and RMS=5.52K. All these results show that the MDE vector is a useful vector in QSPR/QSAR studies. 

Realumination of dealuminated Hβ, prepared by calcination in air and /or by leaching in HCl solution has been studied by Infrared Spectroscopy. The result shows that the majority of the aluminium defect sites, produced by calcination in air, could be subsequently reinserted by aluminium in the framework under mild condition of alumination, while reinsertion of Al in the defect sites of Hβ framework created by acid leaching was difficult under the same realumination condition.

The enthalpies of dilution of L serine in ethanol water mixtures (with 0.05 increments ranging from 0.05 to 0.40 ethanol by weight) have been measured with LKB 2277 Bio Activity Monitor at 298.15 K. Calculations show that the value of pairwise enthalpic interaction coefficients h2 is negative and minimized at 0.25 ethanol in mixtures.

Thermal decomposition reaction mechanism of the precursor gel made by sol gel process for nano-crystalline BaTiO3 was studied by TG DTG and FTIR techniques. The reaction proceeded in three stages: solvents removing, organic ligands decomposing, and amorphous solid BaTiO3 forming. The differential and intergral mechanism functions and activation energy for the third stage were obtained by calculation and comparson.

Codeposition mechanism of phosphorus with nickel on an Ni Ag alloy electrode has been investigated by means of in situ surface enhanced Raman spectroscopy(SERS) and electrochemical method to obtain new information about the phosphorus incorporation mechanism during electrodeposition of Ni-P alloys. The intermediate, Ni(PH3)n, in the electrodeposition of Ni P alloy was detected with in situ surface Raman spectroscopy for the first time. The experimental results showed that in the solution without NiSO4,hypophosphite was reduced only to Ni-phosphine compound, while in the case where NiSO4 coexisted in the solution, the Ni-phosphine compound, as an intermediate, was oxidized by Ni2＋to elemental phosphorus in alloys with nickel acting as the catalyst.

Amorphous Ni-B/SiO2 catalysts were prepared by chemical reduction of Ni2＋with KBH4. ICP was used to analyze the composition of alloys. XRD,TEM,SAED and HREM were used to examine the structures of samples fresh and after thermal treatment in different atmospheres. The results indicated that the supported NiB has a higher structural stability than ultrafine NiB amorphous alloy. Low temperature pretreatment in hydrogen can reduce nickel oxide on the surface of catalysts. However, treatment in hydrogen is more favorable than in atmosphere and nitrogen for keeping it in stable state.

Measured by gel electrophoresis scanning, it was shown that the double strand breaks (DSBs) of pBR322 irradiated by γ rays were constituted by two parts, αDSB and βDSB, and the relationship between α,β and scavenging capacity σ was obtained. Results showed that β/α non linearly decreased with increasing σ. Moreover, the yield of the OH free radicals reacting with DNA was analyzed.

Enthalpy changes for the protonation of carboxyl group of four α amino acids(glycine, L –α-alanine, L-valine and L-serine) were measured in water ethanol mixtures (10－70wt％) at 298.15K using LKB-2277 Bioactivity Monitor. The corresponding entropy and Gibbs energy changes were also calculated. The results show that both enthalpy changes and entropy changes are favorable to the protonation of carboxyl groups of the investigated amino acids in water ethanol mixtures. However, the influence of the composition of ethanol in the mixed solvents on the enthalpy change and entropy changes is complicated . Both sσΔH1Θand sσΔS1Θ,the differences of enthalpy changes and entropy changes in mixed solvents and in pure water respectively, show a minimum approximately at xEtOH=0.1.The effects of side chains on the enthalpy change and entropy changes were also investigated using the proton transfer process between glycine and the other three amino acids. The results demonstrate that the proton transfer processes for alanine and valine are spontaneous but not for serine, which could be interpreted in terms of the electrostatic interaction between amino group and carboxyl group within the molecule and the interaction between carboxyl group and the solvent.