We proposed here a simple technique for tracing the chemical oxidation process of single-walled carbon nanotubes (SWNTs) by using silver nanoparticles. SWNTs were prepared by chemical vapor deposition (CVD) and dilute nitricacid (2.6 mol•L－1) was used as oxidant for introducing carboxylic acid groups at the end or surface of the tubes. Based on the interaction between －COOH groups and silver nanoparticles, the oxidation procedure can be traced successfully. The results suggest that refluxing of SWNTs in HNO3 may introduce carboxylic acid groups mostly at the original defect sites and few defects is newly created along the SWNTs walls.

By supramolecular self-assembling, 1,6-diphenyl-1,3,5-hexatriene（DPH） can form nanotubes with β-,γ-cyclodextrins, respectively, but not with α-cyclodextrin. Molecular mechanic (MM) calculations and molecular dynamic (MD) simulations were performed to predict the theoretical models of these nanotubes both under neutral and alkaline conditions. The analyses of host-guest interactions and hydrogen bonding indicate that the absence of intermolecular hydrogen bond is the main factor which leads to the nanotube’s breaking down under alkaline condition. Moreover, the calculated results show that the cavity ofα-cyclodextrin is too narrow to form nanotubes with DPH.

Nano-fibular polyaniline(PANI) film with large specific surface area was prepared by pulse galvanostatic method(PGM) and the electrode of nano-fibular PANI modified by Pt microparticles[Pt/(nano-fibular PANI)] was used as the catalyzed electrode for methanol oxidation in this paper. The research results show that there is a synergism for methanol oxidation on Pt/(nano-fibular PANI) electrode. The Pt/(nano-fibular PANI) electrode exhibits a considerably higher electrocatalytic activity on methanol oxidation than that of the Pt/(granular PANI) electrode when Pt is deposited by cyclic voltammetry method (CVM). The catalytic activity of Pt/(nano-fibular PANI) electrode is 8 times higher than that of Pt/(granular PANI) electrode under the condition of Pt loading of 800 μg•cm－2. Moreover, the research results show that the catalytic activity of Pt/PANI electrode can be further improved when Pt is deposited by PGM. The results of scanning electron microscopy (SEM) show that a large number of Pt microparticles with diameter of about 30 nm are dispersed homogeneously on nano-fibular PANI with diameter about 100 nm. This leads to an increase in specific surface area and dispersion of Pt and hence results in a high catalytic activity of the Pt/PANI composite electrode. The results of electrochemical impedance spectroscopy (EIS) show that the Pt/(nano-fibular PANI) electrode has relatively lower electrochemical impedance for methanol oxidation than that of the Pt/(granular PANI) electrode.

Amino acids and their derivatives are useful as models of specific aspects of more complex proteins in aqueous solution. In this paper, densities and viscosities of L-threonine in glucose-water, sucrose-water and L-ascorbic acid-water mixed solvents have been measured at 298.15 K by an oscillating-tube densimeter and a viscositymeter . Limiting partial molar volume, transfer partial molar volume, number of hydration and viscosity B-coefficients of L-threonine have been calculated. The viscosity B-coefficients and the numbers of hydration of L-threonine mixed solvent vary with mass concentration of sugar or L-ascorbic acid. The transfer partial molar volumes from water to sugar-water or L-ascorbic acid-water mixtures have been obtained and discussed in terms of the structural hydration interaction model. The results indicate that the transfer partial molar volumes and viscosity B-coefficients of L-threonine increase with increasing of the mass concentration of sugar or L-ascorbic acid, and the hydration numbers of L-threonine decrease owing to the interaction of sugar or L-ascorbic acid with the zwitterionic groups. It is concluded that the degrees of the effect on volume and hydration number are related to the number of OH groups and the structure of mixture solvent.

Cations of C2H3F＋, CF2CH2＋, cis-CHF=CHF＋, trans-CHF=CHF＋, C2HF3＋, and C2H4＋were studied by using the DFT B3LYP and ab into MP2 methods in conjunction with the 6-31G(d, p), 6-31＋G(d, p), 6-311G(d, p), and 6-311＋G(d, p) basis sets. Geometry optimization calculations indicate that all the six-fluorinated ethylene cations have planar structures, in contrast with the non-planar D2 structure of the ethylene cation. Differences in geometry between the cations and their parent molecules were examined. Natural population analysis calculations indicate that the positive charge resides mainly at the C atom connecting with the F atom and at the H atoms in these cations. The B3LYP calculations with the 6-311＋G(d, p) basis predict vertical and adiabatic ionization potential(VIP and AIP) values of the fluorinated ethylene molecules in good agreement with the experimental values. Diffuse basis functions in the basis sets are important for accurate prediction of the VIPs and AIPs for the fluorinated ethylene molecules.

The interaction of cyanide (CN) with different sites of Pt(100) surface is studied by using density functional theory (DFT). Pt14 cluster is used to simulate the surface. The present calculations show that the top site is more favorable than other adsorption sites when CN is bonded to the surface via the carbon, and the calculated C－N stretching frequency is blue shift in agreement with the experimental results. For other adsorption sites on the Pt(100) surface, the calculated C－N stretching frequencies are red shift. When CN molecule adsorbed on Pt(100),the charge transfer between the σ and π electron of CN molecule and the substrate led to the variation of CN vibrational frequency.

A new method of the multiple rates-isotemperature is proposed to define the most possible mechanism g(α) of thermal decomposition; the iterative isoconversional procedure has been employed to estimate apparent activation energy Ea; the pre-exponential factor A is obtained on the basis of Ea and g(α).By this new method, the thermal analysis kinetic triplet of dehydration of zinc oxalate dihydrate is determined, where apparent activation energy Ea is 87.22 kJ•mol－1; pre-exponential factor A is 4.2120×108～7.2328×108 s－1 and the most probable mechanism belongs to random nucleation and growth Am (Avrami-Erofeer equation) ,with integral form g(α)=[－ln(1－α)] 1/m, and differential form f(α)=m(1－α)•[－ln(1－α)](1－1/m) , accommodation factor m=1.85～2.00.

A model based on scaling theory was developed for the description of the diblock copolymer micelle system. The temperature effects on micelle equilibrium properties were investigated by the Flory-Huggins interaction parameter of polymer segment and solvent. By analysis of the chain-state in micelle corona, a multi-section density distribution function was proposed and the temperature effects on aggregation number, corona density distribution, micelle inner and outer radius were observed. The calculation results show that with increasing temperature, the change of chain-state in corona has little effect on the corona density, and the micelle aggregation number will rapidly increase with the slightly growing of the micelle radius, which implies the solvent squeezing from corona and the result is consistent with experiments.

High performance intermediate temperature solid oxide fuel cells(ITSOFC) based on LaGaO3 electrolytes were constructed, and the electrochemical properties of the cells were studied in detail. Ni-15％ (mole fraction x) Sm3＋ doped CeO2 (Ni-SDC) anode and Sm0.5Sr0.5CoO3 (SSC) cathode were prepared with the impregnation method, and La0.8Sr0.2Ga0.8Mg0.2－xCoxO3 (LSGMC, x=0, 0.01, 0.05, 0.07, 0.09)electrolytes were prepared with solid state reaction. The performance of the cell was improved significantly using LSGMC due to the decrease of ohmic resistance of the cell and the electrode over-potential. The maximum power densities of Ni-SDC/ La0.8Sr0.2Ga0.8Mg0.11Co0.09O3/SSC at 1073, 973, 873 K reached 1.77, 0.92, and 0.41 W•cm-2, respectively. The addition of cobalt into La0.8Sr0.2Ga0.8Mg0.2O3 improved its ionic conductivity significantly while the oxygen transfer number decreased slightly. For an example, the electrical conductivity of La0.8Sr0.2Ga0.8Mg0.11Co0.09O3 was about 0.21 S•cm-1, and the oxygen transfer number was about 0.87 at 1073 K, while the electrical conductivity of La0.8Sr0.2Ga0.8Mg0.2O3 was about 0.12 S•cm-1, and the oxygen transfer number was close to 1.

Recently, polymer thin films have been increasingly used in microelectronic applications. Poly(ε-caprolactone)/poly(vinyl chloride) (PCL/PVC) blends are widely studied polymers. When PCL and PVC are blended in certain ratio, ring-banded spherulites are formed and the blends are often composed of a PCL crystal phase and a PCL/PVC amorphous phase. Optical microscopy, atomic force microscopy and angle-dependent XPS analyses were used by many scientists to investigate the morphology and composition of the PCL/PVC films. Using XPS and imaging XPS analyses, we have investigated the surface chemical composition and elemental distribution of PCL/PVC films. The results show that PCL enriches to the PCL/PVC polymer-air interface. Besides, the imaging XPS analysis indicates that PVC is concentrated at the spherulite boundaries and the width of the boundaries is about 15 μm. These observations may be valuable for the explanation of the crystallization and morphological behaviors of polymer blends.

The mechanism of thermal decomposition of aspirin was studied by both thermogravimetry and Mayer bond orders calculated by Cerius2 software. The parameters of thermal decomposition kinetics for aspirin, such as activation energy (E), reaction order (n) and frequency factor (A) were obtained by thermogravimetry. The kinetic equation of thermal decomposition of aspirin is expressed as: dα/dt=4.74×1011[exp－(100.34±5.18)×103/RT]](1－α)2.8±0.3 Melting point, molar enthalpy and entropy of fusion of aspirin were examined to be (409.19±0.22) K, (29.17±0.41) kJ•mol-1 and (71.09±1.06) J•mol-1•K-1, respectively, by means of DSC with a rising temperature program. The results obtained show that theoretical mass-loss derived from Mayer bond orders of aspirin is in very good agreement with that obtained from thermogravimetry experiment.

Densities of glycine, L-alanine and L-serine in 2-chloroethanol-water mixed solvents have been measured at 298.15 K by an oscillating-tube densimeter. Apparent molar volumes, limiting partial molar volumes, transfer partial volumes, hydration numbers and volumetric interaction coefficients for these amino acids have been calculated. The results show that all of the transfer partial volumes from water to 2-chloroethanol-water mixed solvents are positive, and increase with increasing 2-chloroethanol concentration; all the hydration numbers decrease with increasing 2-chloroethanol concentration. From the results of the volumetric interaction coefficients, it is concluded that interaction between glycine and 2-chloroethanol is dominated by 1 : 1 and 1 : 2 forms, and interactions between alanine, serine and 2-chloroethanol molecule are dominated by 1 : 1 form.

By density functional calculations, it was confirmed that for the reaction of RSCC (residual oil selective catalytic cracking),the catalysts such as zeolite ZSM-5 will endure an enhanced thermal stability when some La3＋ ions are introduced. Due to the strong interaction between La3＋ and the zeolite, the Al－O bond, which would have been easily broken, gets stronger and the process of dealumination is thus effectively retarded. Through the reduction of La(OH)2＋ when heated, LaO(OH) is most likely formed, which can interact with zeolite ZSM-5 and turns out to the structure of Z－La(OH)2＋ or Z-LaO(OH) after geometrical optimization. Z－La(OH)2＋ remains stable under normal conditions; however, as the temperature is raised, it will change slowly into Z-LaO(OH),which stays stable at high temperature. The La3＋ ion in Z-LaO(OH) can offer Lewis acid as the active site for reactions, we believe that this result can provide valuable insight into the elucidation of catalytic mechanism.

Using cetyltriethylammonium bromide and cetyltrimethylammonium bromide as templating agent respectively, and silicasol as silica source,the mesoporous molecular sieves MCM-41 were synthesized by hydrothermal method in basic media. The synthesized samples were characterized by XRD、N2 adsorption-desorption、TG-DTA and IR. The effects of different templating agent on the crystalline structure 、pore diameter and pore size distribution of synthesized silica MCM-41 were investigated. The experimental results show that the templated by cetyltriethylammonium bromide, compared with those templated by cetyltrimethylammonium bromide, have larger pore diameter and pore volume with 4.72 nm and 1.14 cm3•g-1 respectively and narrower pore size distribution. For the preparation of large pore mesoporous MCM-41, cetyltriethylammonium bromide is a more effective templating agent than cetyltrimethylammonium bromide.

According to the relationship between CR transmission line model (CR circuit) and QR circuit,an approach to calculate the initial value for fitting the former was found. Then,accurate values of its all elements could be obtained by using Z-View software. Based on the distribution of capacitance (Ci) and resistance（Ri）vs characteristic frequency (f*),the function of the relative increment of its elements vs the CPE(constant phase element)－power n could be drawn out. It showed that Ci value increased more quickly than that of Ri when n < 0.5, so the physical meaning of n and its connection with the delamination at the coating/metal interface were interpreted from a new standpoint. As examples of application, the fit of several different types of electrochemical impedance spectroscopy, the inspection of the evolution of impedances in organic coating/metal system with time, discrimination of the effects of corrosion and delamination on the impedance,as well as the samultaneous estimation of capacitance and resistance of coating with various interspace from high impedance system were performed. Finally, the physical meaning of the CR circuit in organic coatings system was discussed for the heterogeneous characteristics of organic coating.

Three catalysts, NiO-MgO, NiO-La2O3-MgO and NiO-CeO2-MgO containing 10％(w) Ni were prepared by the co-precipitation method. The effects of La2O3 and CeO2 on physico-chemical properties and catalytic performance of NiO-MgO catalysts were studied by means of BET, XRD, TPR, XPS, TG and reaction activity evaluation. It was found that NiO formed a nickel-magnesia solid solution with MgO, and La2O3 and CeO2 promoters improved the resistance to sintering of the nickel-magnesia solid solution, which was attributed to the higher specific surface area and smaller size of crystallites of the Nickel-magnesia solid solution. Besides, La2O3 and CeO2 could promote reduction of nickel species in nickel-magnesia solid solution, especially CeO2. Under reaction conditions of CH4/CO2=1(molar ratio), 0.1 MPa, 1023 K and 1073 K, 18 L•g-1•h-1, NiO-La2O3-MgO and NiO-CeO2-MgO showed higher activity than NiO-MgO. However, the three catalysts had similar activity at 1123 K because the reaction was close to the thermodynamic equilibrium under these reaction conditions. La2O3 and CeO2 act as a structural promoter and an electronic promoter respectively to improve the properties of NiO-MgO.

The MSU-typed mesoporous organosilica with organic methyl, vinyl, and phenyl functionals were prepared by using inexpensive sodium silicate and organotrialkoxysilane as the silica precursor and nonionic polyethyleneoxide AEO9[C11-15H23-31(CH2CH2O)9H] as the structure-directing agent. The resultant materials were characterized by powder X-ray diffraction (XRD), N2 sorptometry, high resolution transmission electron microscopy (HRTEM) and 29Si CP MAS-NMR. The results indicated that addition of sodium fluorite reduced the possibility of organotrialkoxysilane with small organic group entering the framework walls of the mesostructures at neutral condition. Moreover, pore diameter of material increased upon the increase of pH value.

T, p data for Maleic anhydride and DIBE (di-isobutylhexahydrophthalate) at different feed compositions(q) have been measured with a small modified ebulliometer and T, q data under different pressures have been obtained through interpolation. The vapor-liquid equilibrium data have been calculated by means of the parameters of NRTL equation optimized by the simplex method. The azeotropes are found to change obviously with the pressures. The azeotropes tend to disappear when the pressure is lowered to 20 kPa.

For thermal energy storage application, polyurea microcapsules about 2.5 μm in diameter containing phase change material were prepared using interfacial polycondensation method. In the system droplets in microns are first formed by emulsifying an organic phase consisting of a core material (n-hexadecane) and an oil-soluble reactive monomer, toluene-2,4-diisocyanate (TDI),in an aqueous phase. By adding water-soluble reactive monomer, diamine, monomers TDI and diamine react with each other at the interface of micelles to become a shell. Ethylenediamine (EDA), 1,6-hexane diamine (HDA) and their mixture were employed as water-soluble reactive monomers. The effects of diamine type on chemical structure and thermal properties of the microcapsules were investigated by FT-IR and thermal analysis respectively. The infrared spectra indicate that polyurea microcapsules have been successfully synthesized; all the TG thermographs show microcapsules containing n-hexadecane can sustain high temperature about 300 ℃ without broken and the DSC measurements display that all samples possess a moderate heat of phase transition； thermal cyclic tests show that the encapsulated paraffin kept its energy storage capacity even after 50 cycles of operation. The results obtained from experiments show that the encapsulated n-hexadecane possesses a good potential as a thermal energy storage material.

The oxidative behavior of isosafrole (ISF) in non-aqueous system on Pt was investigated by cyclic voltammery. When scanning from -0.55 to 1.95 V (vs Ag/AgCl electrode) at a certain scan rate, two oxidation peaks and one reduction peak appeared. By scanning at different scan rate, the electro-oxidative behavior of isosafrole on Pt was confirmed to be controlled by concentration diffusion, as well as chemical reaction rate. By comparing the two isomers, ISF and SF safrole, the reactive mechanism was dcecussed. Moreover, the active oxidation group of ISF was identified to be the C=C from allyl by developing the in-situ surface enhanced Raman specrum.

In the concentration of 0~1 mol•L-1 ,the chemical shift of 17O-NMR （δ(H217O)）in aqueous solutions of alkali chloride, alkaline earth chloride, sodium halide or some common oxysalt were measured. It is found thatδ(H217O) depends on ion radius, ion charge, outside electron structure of ion and structure of ion. As the other parameters of ions keep unchanged, the larger the ion radius, the more the molarδ(H217O) of the ion is. With the same outer electron structure of ion, the more the ion charge, the more the molarδ(H217O) of the ion is. The molarδ(H217O) of multiple atom ion correlate with the structure of ion much more. It is deduced that the molar δ(H217O) of ion correlate with the effect of ion on water structure. The more the molarδ(H217O) of the ion, the intenser the effect of the ion on promoting water structure.

Water soluble and stable colloidal polyaniline (PAn) aqueous dispersions were obtained using poly(vinyl pyrrolidone) (PVP) as steric stabilizer via dispersion polymerization. The morphology and size of PAn were characerized by transmission electron microscopy (TEM). Doped and dedoped PAn-PVP in the aqueous dipersions were investigated via the UV-Vis spectra. The results showed that when the content of PAn was low（wPAn< 16.78％）, the morphology of PAn-PVP was rice-grain particles. And when the content of PAn was high （wPAn >23.22％）, the morphology of PAn-PVP was spherical particles .The PAn-PVP particles were composites.

The microstructures and the evolution mechanism of the self-assemblies of C60-amphiphiles in aqueous solutions are reviewed in the present paper. The results by using the freeze-fracture transmission electron microscopy (FF-TEM) and TEM, small-angle neutron scattering (SANS), small-angle X-ray scattering (SAXS), and laser light scattering (LLS) are introduced. Some models of the self-assemblies are presented.

The mixed potential as a function of time was measured during the electroless copper plating on ceramic and copper substrates, and the induction process was determined successfully. The effects of the chelating agents, additives and pH value on the mixed potential－time curves were investigated. The results indicate that the mixed potential－time curves shift in negative direction and the induction time becomes longer with increasing concentration of the chelating agents or the additives in the solution. And higher pH values in the solution can shorten the induction time and make the potential－time curves more negative. The activation process can affect the induction time, higher activation temperature decreases the induction time greatly and increases the plating rate at the same time. It needs much longer induction time for plating copper on fresh-copper-activated copper substrate than that on the Pd-activated copper substrate. On the basis of these results, we furthermore explained the reason why non-noble-metal activation process is inferior to noble-metal activation process in electroless copper plaing.

The equilibrium geometries and stabilities of (n=0,－1,－2,－3,－4) clusters are predicted by B3LYP/6-311G computations, at the same level, endo-and exo-icosahedral clusters (X@ B12H122－ and X B12H122－,X=H0/＋,Li0/＋,He,Ne,Be0/2＋,Na＋,Mg2＋) are discussed. It is found that the endo-icosahedral clusters (X@ B12H122－,X=Li＋,Be2＋,Mg2＋) are energetically favorable than the other exo-icosahedral clusters, and the exo-icosahedral clusters B12H122－(C3v) are more stable than that of B12H122－(C2v) structures, which are demonstrated by a transition state from IRC calculations.

In order to examine possible relationship between freezing properties and the number of hydroxyl group in solute molecules, a differential scanning calorimeter(Pyris-Diamond DSC)was employed to study the thermal behaviors(supercooling degree of heterogeneous nucleating temperature, hydration properties, glass transition and devitrification) of ethylene glycol and glycerol aqueous solutions. Experiments were conducted on 12 groups (24 in total) aqueous solutions with different concentrations. At the same concentrations (mass fraction, w), the supercooling behaviors of these two polyols aqueous solutions followed similar rules of change. At concentration of 0～5％(w), supercooling degrees decreased first and then increased with increasing concentration. But at concentration of 5％～25％(w), experimental results showed that supercooling behaviors became disorder. At concentrations >25％, supercooling degrees enhanced monotonically with the increasing solutes contents. Hydration experiments showed that the unfreezable water content in aqueous solutions of these two polyols solutions had no significant difference(ratios of unfreezable water contents are 1.04～1.15 ) with the same mass percentage. However, the temperature of glass transition and devitrification exhibited distinct difference. It can be concluded that “hydroxyl-group concentration” of this two polyols aqueous solutions could predict supercooling behaviors and hydration capabilities. Neither mass percentage nor molality of these two polyols solutions could characterize glass transition and devitrification temperature.

A series of nanostructured films exhibiting high surface roughness were prepared by using square wave oxidation-reduction cycles (SWORC) on Pt microelectrodes. Scanning tunneling microscope (STM) studies illustrated that all the films were made up of Pt islands. Measurement showed that along with the increase of average thickness of nanostructured films from 58 to 139 nm, the average dimension of Pt islands in the film increased solely from 102 to 114 nm, and the average height of Pt islands varied from 15 to 18 nm.Employing CO adsorption as molecule-probe reaction, IR properties of the prepared nanostructured Pt films of different roughness were investigated by using in situ FTIR spectroscopy. The results revealed that CO linearly adsorbed (COL) on all nanostructured Pt films prepared in this paper yielded Fano-like spectra, i.e., the IR absorption of COL on nanostructured Pt film gave rise to a bipolar IR band (asymmetric line shape), which may be attributed primarily to the size effect of Pt islands.

The classical trajectory calculation by Venus 95 and based on 48 extended London-Eying-Polanyi-Sato(LEPS) potential energy surfaces(PES) which have different topological-structure are carried out to study the dependence of the rotational alignment on the properties of PES and the reaction dynamic conditions. 58 samples are obtained. The dependence is studied by multi-factors nonlinear analysis based on these samples. By pattern recognition, the key factors are the mass of reagent, the width of exit of PES and the relative collision energy. We also found that the cross interaction between different factors have very important effect.

A set of nanometer TiO2 photocatalysts doped with various ions of transition metals (Cr、Mn、Fe、Co、Ni、and Cu) was prepared by using the wet impregnation method. The samples were characterized by using some bulk and surface techniques namely X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The samples were employed as catalysts for acetic acid photocatalytic oxidation degradation and carbon dioxide photocatalytic reduction in aqueous suspension, used as probe reactions. The characterization results have confirmed that the doping ions exist on the surface in the form of oxide and have no significant effect on crystal phase of the samples. Photocatalytic activities of the doped samples were improved in the order of Cr、Co、Ni、Fe、Mn、Cu. The photocatalytic activity of doped TiO2 appears to be a complex function of the dopant concentration, adsorption oxygen and the nature of doped ions.

On the basis of 5-MP semiempirical method used to deal with the interaction between atoms and metal surfaces, an extended LEPS potential between CO and Pt surface has been constructed. The adsorption mechanism of CO on three Pt low-index surfaces was investigated by the extended LEPS potential. We reproduce well the experimental data of the adsorption sites, the adsorption geometry, the binding energy and the eigenvibration for CO on Pt surfaces. We also evaluate some unreasonable experimental data in the literatures and predict the following important information that has not been observed: on Pt (100),an 1 962.60 cm－1 frequency in fourfold hollow site; and on Pt (110),the C－O and Pt－C distances as 115.1,147 pm, respectively have been predicted.

Organic-inorganic hybrid mesoporous molecular sieve MCM-41 was synthesized by co-condensation of tetraethoxysilane (TEOS) and 3-chlorpropyl-triethoxysilane, then reacted with (1R,2R)-1,2-diaminocyclohexane and dichloro(p-cymene)-ruthenium dimer successively to afford immobilized asymmetric hydrogen transfer catalyst. The prepared catalyst was characterized by means of FT-IR, PXRD and N2 adsorption-desorption isotherms,and was applied in asymmetric hydrogen transfer reactions of reduction of acetophenone to α-phenyl ethanol. It showed an average conversion of 6.42％ and ee (enantiomeric excess) value of 12.64％ in all 3 performances. The conversion was a little higher than its corresponding homogenous counterpart (conversion of 3.56％ and ee value of 33.04％), while the ee values were somewhat lower.

The resonant two-photons ionization technique is employed to study jet-cooled van der Waals (vdW) complex C6H5CH3…N2 through the S1←S0 transition. By Comparing the spectra of isotopic complex C6D5CD3…N2, we have tentatively assigned all the observed spectral features to the complex C6H5CH3…N2. The rich information about the complex intermolecular vdW viberational modes and internal rotation of N2 are obtained by the spectra. The binding energies for the complex C6H5CH3…N2 in the excited electronic state and in the ground electronic state are about 494 cm－1 and 474 cm－1, those are very close to the calculated values.

Dielectric measurement was carried out on D354 anion-exchange beads dispersed in KCl solutions with different concentrations. Distinct dielectric relaxations were observed in the frequency between 106 Hz and 107 Hz, and particular relations between permittivity, electric conductivity, relaxation time and the solution concentration were obtained. It was proved that such a relaxation is a non-single mechanism relaxation that due mainly to interfacial polarization, then the particular dielectric behavior was interpreted by the theory of Maxwell-Wagner and properties of electrical double layer, and the information of ion transformation and accumulation at the interface between the particles and solution phase in the presence of an external AC (alternative current) field was obtained. It is conclude that, the electric double layer that formed during the static ionic equilibrium would not be destroyed by added AC field; the enrichment of counterions in electric double layer predicts dielectric increment, while the thickness of electric double layer decides the magnitude of the relaxation frequency; and the ionic strength in electric double layer was fond corresponding to the ionic strength of pure KCl solution with a concentration of 0.7 mmol•L－1.

Nanometer-sized BaTiO3 crystallites in different sizes have been prepared by sol-gel method. The crystal structure, phase transition and Raman spectra of the BaTiO3 crystallites were investigated by XRD, Raman spectra and DSC. The results indicated that BaTiO3 crystallite forms at temperature of 750 ℃. The average grain size is about 38 nm and the crystal structure belongs to the cubic paraelectric phase. With the increase of annealing temperature, the grain becomes larger and a axis becomes shorter while c axis becomes longer gradually. The crystal structure begins to change to the cubic paraelectric phase from the tetragonal phase at about 54 nm of average grain. The crystal structure of BaTiO3 crystallite with an average grain size of about 102 nm belongs to tetragonal phase. During the decrease of average grain size, the temperature of phase transition from orthodoxy to tetragonal increases while the temperature of phase transition from tetragonal to cubic decreases. There exists heat stagnation in phase transition and the heat stagnation decreases gradually with the decreasing grain size. The frequencies of Raman bands strongly depend on grain sizes and structures of the BaTiO3 crystallite. The characteristic peaks of tetragonal phase disappear at about 38 nm of average grain.

Crystallization of calcium oxalate (CaC2O4) was comparatively investigated in five gel systems in the absence and presence of potassium citrate (K3cit).The five gelatinous systems include water, sodium chloride, synthesized urine, diluted healthy urine and diluted pathological urine, respectively. In the absence of K3cit, calcium oxalate monohydrate (COM) is the dominant phase. However, calcium oxalate dihydrate (COD) and trihydrate (COT) crystals appeared simultaneously in the gel systems containing sodium chloride or synthesized urine. COD appeared also in the diluted pathological urine, whereas there was not any COD or COT crystals in the diluted healthy urine system. In the presence of K3cit, the percentage of COT increased markedly in the gel systems containing either water, sodium chloride or synthesized urine. A great deal of COD appeared in the diluted pathological urine system, and a few COD and COT appeared in the diluted healthy urine system. The lower temperature, higher ionic strength and the presence of metal ions in the gel systems lead to increase of the percentage of COT crystals. K3cit has the ability to induce the formation of COD and COT, as well as to diminish the sectional area of COM crystals, thus K3cit can prevent and cure calcium oxalate calculi.

Three cross-photodimers were synthesized by irradiation of each two monomers of 4-(2-phenylethenyl)pyridine, 2-(2-phenylethenyl)benzoxazole and 5-phenyl-2-(2-phenylethenyl) oxazole in H2SO4 solution using medium-pressure Mercury lamp (λ > 300 nm) as light source.The cross-photodimerization was monitored by HPLC titration. The results showed that three photodimers were produced in each reaction,two of them were the self-photodimers and the other one was the cross-photodimer. The cross-photodimers were isolated by column chromatography and their structures with syn-head-to-tail configurations were determined by UV, IR, 1H NMR, 13C NMR and MS. The photolysis of the cross-photodimer was performed in dilute methanol solution upon the irradiation of low-pressure Mercury lamp (λ=254 nm) and monitored by HPLC and UV titration. It was found that the cross-photodimer was photolyzed into trans-monomers at first, and then the new-formed trans-monomers were converted into cis-ones by the trans-cis isomerization.

Monodisperse polystyrene(PS) microcapsules containing vitamin E(VE)were prepared by membrane emulsification-dying in liquid technique. The diameter of microcapsules was about 4 times the size of the pore diameter of Shirasu porous glass (SPG) membrane, and the coefficient of variation (CV) of the microcapsule size was less than 0.2, showing a good monodispersity. Furthermore, the effects of the ratio of PS to VE (m/m) and the diameter of microcapsules on the release characteristics were investigated. When the ratio of PS to VE (m/m) is 40/1, the permeability coefficients were 0.71×10－9 and 0.74×10－9 m•s－1 corresponding to the microcapsule diameters of 21.32 and 11.45 μm, and the concentrations of VE released were 8 and 12 mg•L－1 respectively, which conform to the optimal concentration in applications.

The nanocrystalline TiO2-Pt modified titanium (Ti/nano-TiO2-Pt) electrode was prepared by electrosynthesis and direct hydrolysis and electrodeposited Pt on nanocrystalline TiO2 film. SEM was used to characterize the structure of Ti/nano-TiO2-Pt (Pt micro particle 60 nm). Redox behaviors of the Ti/nano-TiO2-Pt electrode, as well as the electrocatalytic activity of the Ti/nano-TiO2-Pt electrode for Mn2＋ oxydized to Mn3＋ were investigated by cyclic voltammetry and bulk electrolysis. The results indicated that there was high electrocatalytic activity of the Ti/nano-TiO2-Pt electrode for Mn2＋ oxydized to Mn3＋; The electrocatalytic activity of the Ti/nano-TiO2-Pt electrode was higher than Pt electrode. In preparative electrolysis under heterogeneous optimal conditions, average current efficiency for Mn3＋ was 86％.

The thermodynamic properties of HCl-NiSO4-H2O system was studied by EMF measurement in the cells without liquid junction: Pt, H2(101.325 kPa)│HCl(mA), NiSO4(mB), H2O│AgCl-Ag at certain total ionic strength I =0.4、0.6、0.8、1.0、1.5、2.0 mol•kg－1 with various ionic strength fractions of NiSO4 yB=0.00、0.10、0.20、0.30、0.50、0.70 at different temperatures from 278.15～323.15 K .The activity coefficients of HCl γA in the solution have been calculated from EMF of cell (A).The results show that the activity coefficients of HCl in the solutions still obey Harned’s rule.

Using chemical vapour deposition(CVD) method to decompose alcohol at high-temperature with zeolite(synthetic satonite)-based Fe particles as catalyst, authors synthesize carbon nanotubes (CNTs) of thinner walls and opened ends. Compared with the CNTs synthesized in other methods, CNTs synthesized by the author are straighter and have bigger inside diameter and fewer defects when the experimental parameters are controlled stably. CNTs of these structures have better performance in hydrogen-storage, and have greater potential applications.