According to the character of bending of lamellar structure under ultrasonication, vesicles were prepared from the lamellar liquid crystal in the Triton X 100/n C10H21OH/H2O system. The results show that: the size distribution of vesicle prepared is between 0.2 μm and 0.5 μm. The Zeta potential and micropolarity of vesicles prepared were determined, the effects of pH on Zeta potential and ultrasonication time on micropolarity were also performed.

The adsorptive process of H2O molecule in model zeolite have been studied by PM3 semi empirical quantum chemistry method. The variation of heat of formation and O-H bond lengths with the adsorption distance have been calculated .The results show that there are two active adsorption site on the model zeolite. The average heats of adsorption is about -44 kJ•mol-1,in accordance with experiment results (-51 kJ•mol-1).

The HeI photoelectron spectra (UPS) of 3-chloro-1,2,5-thiadiazole (A)and 3,4-dichloro-1,2,5-thiadiazole (B) are reported for the first time. The assignment of the UPS bands for the compounds studied has been made by the band shapes, the relative intensity of the bands and the experimetal ionization energies as well as ab initio Gaussian 94 STO 6G calculations on the molecules studied. The lower ionization energy of B compound compared with that of A might be due to the “crowding effect”of two chlorine atoms in the B molecule. The total energy (Etot=-1501.1 a.u.) for B compound is lower than that (Etot=-1042.2 a.u.) of A compound. This means also that B has higher thermal pyrolysis energy which is consistence with the result of the interstellar species produced by pyrolysis of A and B.

Photoluminescence characteristics of four hemicyanine derivatives with similar molecular compositions but different donor acceptor groups in Langmuir Blodgett (LB) films have been studied by steady state and time resolved fluorescence spectroscopies. The study mainly include the aggregation behavior of hemicyanine derivatives in LB films, the influence of the donor acceptor on the excited level and excited lifetime of the hemicyenine derivatives.

The pulse microreactor technique was used to examine the effect of addition of sepiolite on the catalytic and surface porperties of amorphous NiB alloy. Gas phase hydrogenation of benzene was chosen as the probe reaction. The surface properties of the alloys were characterized by TPR and TPD. The specific surface area and distribution of pore diameter were determined, and were correlated with the activity of the samples. Results indicated that the addition of sepiolite increased the activity and sulfur resistance of amorphous NiB alloy. Comparing two kinds of preparation methods, it can be seen that impregnation was superior to mechanically mixing. The probable reason is that there is interaction between sepiolite and NiB alloy, which changes the reduction and absorption charaters. The activities of the samples containing sepiolite treated with acid are higher than that of the untreated sample because acid treatment alters the distribution of the pore diameter in sepiolite.

The influence of antifoaming agent TBP on the surface adsorption and on the surface rheological properties of foaming agent C12E8 is investigated by the damped longitudinal wave method, and the antifoaming mechanism of the antifoaming agent TBP on C12E8 is explored in this paper. The experimental results show that while the concentration of foaming agent C12E8 is smaller than cmc and at ω=6.28 rad•s-1, the decreases of surface dilational modulus, surface dilational elasticity, surface dilational viscosity and the increases of the phase angle when the concentration of TBP increase for the C12E8+TBP aqueous solution (C12E8=0.074 mmol•L-1) have been related to the diffusional exchange between surface and bulk and to the Maran ni effect, which depends on the restored mechanism of surface tension gradient due to the stretched surface. This has been related to the mechanism of antifoaming action.

A Molecular dynamics simulation of the behavior of α-berlinite (AlPO4) was performed between -20 GPa to 40 GPa at 300 K. With increasing pressure, the PO4 tetrahedron almost keeps unchanged, while the AlO4 tetrahedron becomes more and more distorted, but both P and Al continue to keep four coordinated with oxygen in the pressure region studied. The lattice constant a is more compressible than c and the calculated cell edge compressibilities are in od agreement with the experimental data available in low pressure region. An amorphous solid is formed at about 20 GPa and this glass, when releasing the pressure to zero, will transform back to its original crystal structure. The crystal structure can remain under tension until -15GPa.Further tension will make the crystal structure collapse.

The reaction of F( 2P) with NCO(X 2Π) on 3A″potential surface has been studied theoretically using G2(MP2) level. Two reaction pathways leading to the NF(X 3Σ-) radicals, i.e., cis and trans F→N addition elimination, were revealed. The cis pathway has the lower entrance energy barrier (20.9 kJ•mol-1).The rate constants were calculated using the transition state theory. It has been shown that the NF(X 3Σ-) radical can be formed directly on the triplet potential energy surface with a slow rate. In addition, the FC(N)O radical was found to be a possible product.

Ab initio method with effective core potential (ECP) approximation, has been employed to study the reaction mechanisms of some elementary reactions of the olefin hydroformylation cycle catalyzed by carbonyl cobalt at retricted Hartree Fock(RHF) level. The potential energy barriers for carbonyl insertion,H2 oxidative addition and reductive elimination are calculated as 67.79, 139.11 and 44.78 kJ•mol-1,respectively.The results indicate that the elementary reaction,H2 oxidative addition plays a more important role than carbonyl insertion and reductive elimination in olefin hydroformylation cycle catalyzed by carbonyl cobalt.

Electrocatalytic reduction of O2 and H2O2 at the glass carbon electrode modified with microperoxidase-11 immobilized with Nafion film has been studied by means of cyclic voltammetry and rotating disk electrode techniques. The modified electrode shows high catalytic activity toward the reduction of both O2 and H2O2. The rate constants of O2 and H2O2 reduction at the modified electrode have been measured and compared. It is found that O2 under es a four electron reduction at the modified electrode and the catalytic activity for the reduction of O2 is dependent on the pH of the solutions.

The thermal stabilization mechanism of barium and the effects of preparation methods, barium content and calcination temperature were studied by BET specific surface area and powder X ray diffraction. It was found that barium can stabilize the alumina at high temperature (≥1000 ℃) and the stabilization effect was enhanced with the increase of the barium content, whereas, the overabundance weakened the stabilization effect. The preparation methods influenced the thermal stability of alumina and the stabilization effect of barium. At high temperature, the stabilization effect of barium species can be attributed to the dispersed baria and not hexaaluminate retarding the loss of specific surface area due to the sintering and α phase transformation within the initial 1 h of the calcination process.

By calcinating commercial silica gel at 1500℃or adding Na2C2O4 and then calcinating at 850℃,α-cristobalite was formed. On the basis of the vibration spectroscopy of silica support, Na-W-Mn/SiO2 catalyst was characterized by Raman spectroscopy. The results show that the structure of support and the interaction among metal components have significant effect on the dispersion and the structure of metal sites, and the tetrahedrally coordinated [WO4] formed on α-cristobalite surface is the most possible site of methane activation with high C2 selectivity.

A double layer Rare Earth Metal (REM) conversion coating process of Al 6061/SiCp metal matrix composites (MMC) was studied. The corrosion resistance of REM conversion coating was examined by electrochemical impedance spectroscopy (EIS).REM conversion coating produced very corrosion resistant surface of Al 6061/SiCp MMC. The X ray diffraction (XRD) analysis revealed that REM conversion coatings exhibited non crystalline structure. The composition of REM conversion coating was studied by X ray photoelectron spectroscopy (XPS).The coatings consisted of cerium oxide and hydrated cerium oxide. Some of Ce3+were oxidized to Ce4+during the formation of the first layer coating in the solution containing Ce3+.During the course of exposing the specimens in open air, some of the residual Ce3+were oxidized to Ce4+.REM conversion coating formed in the solution containing Ce4+consisted entirely of Ce4+compounds.

The micellar conformation of polymeric surfactants based on carboxy methyl cellulose in aqueous solution was studied by dynamic laser scattering and environmental scanning electron microscope. The results show that different polymeric surfactants have different micellar conformation. The micelles formed by copolymer A3, B7 and B9 are spheroidal or ellipsoidal. While copolymer A9 which is more hydrophilic forms rod like micelles. At high concentration the micelles in aqueous solution would aggregate and form network structure further. The dependence of micelle size distribution function F(R) on scattering vector confirms again that the micelles of A9 is not like spherical, while the independence of F(R) on scattering angles means B9 molecules forming sphere like micelles.

A series of naphthylmethyl polyethylenepolyamine have been synthesized in this work. Its complexation with zinc salts in different solvents and the type of formation of the complex were investigated by means of fluorescence spectra. The results showed that naphthylmethyl polyethylenepolyamine is a od fluorescence chemical sensor for the testing of foreign zinc ion. A 1:2 stoichiometric complex was found in the solution of compound 3 with zinc acetate. But a 1:1 complex was formed when it reacted with zinc chloride in solution. An obvious excimer emission could be observed in the fluorescence spectrum of compound 3 with zinc chloride.

The synthesis process and the waveguide fabrication conditions of melamine formaldehyde resin (MF) were investigated. We found that melamine formaldehyde resin forms optical transparent films and possesses optical transparency easily under certain conditions. The transmission losses of waveguides fabricated were about 0.50 dB•cm-1 at 632.8 nm. The nonlinear optical properties of the melamine formaldehyde resin doped with disperse red 1(DR1) were also studied. The Melamine formaldehyde resin showed od resolvability with nonlinear molecules. The optimum precuring temperature was about 100℃and the optimum poling temperature was about 140℃for Dr1 doped formaldehyde resin. The second order nonlinear coefficient d33 was about 39 pm•V-1 for samples doped with DR1 for weight ratio about 5%.The sample also showed od thermal stability.

The thermokinetic characteristics of the actions of selenium containing complexes on the growth metabolism of Escherichia coli were studied by means of microcalorimetry. It was found that at low concentration of Na2SeO3 and N, N′-methylene bisselenomorpholine promoting action on the growth of Escherichia coli, and at high concentration inhibiting action were observed but selenomorpholine had only inhibiting action. Considering both the half inhibition concentration(Ic50) and the rate constant (k), the inhibiting activity of selenium containing complexes studied is in the series of N, N′-methylene bisselenomorpholine > Na2SeO3 and selenomorpholine.

CoxCu100-x granular films were prepared by electro deposition(ED). The relationship between Co concentration and ED potential, as well as the influence of ED and annealing conditions on GMR have been studied. It is found that the maximum value of GMR depends on the annealing temperature and Co concentration. After annealing Co16Cu84 sample at 425 ℃, we t the maximum value of GMR with -5 %at room temperature, 1100 kA•m-1 and -10% at 77 K, 650 kA•m-1. TEM measurement was used to study the microstructure and the explanation of explain the results.