In this paper, a set of ATP sensitive K+ channel openers (KCO), whose structure are different, were investigated with the aim to develope our previously defined KCO's pharmacophore model. To validate the effectiveness of the pharmacophore model, A comparative molecule field analysis (CoMFA) was proceeded, aligning the molecules according to the requirernent of the model, and od results were obtained. This pharmacophore model may be a start point to design new KCO compounds.

Photocatalytic reduction detoxification of Cr6+ ion in TiO2 dispersion, photocatalytic redox synergism in the presence of Cr6+ and some different organics have been studied. The implication for the application of photocatalytic redox decontamination in the real pollution system of co-existed toxic metal ions and organics are presented. The results indicate that Cr6+ can be reduced and detoxified remarkably with TiO2 as catalyst. The reaction atmosphere has negligible ef fect on Cr6+ reduction. Cr6+ reduction is in accord with L-H kinetic equation. Some alcohols, acids and aromatic organics exhibit promotion effects on Cr6+ reduction, but some alkanes and chloro substituted organics exhibit inhibition eff ects. These different effects are mainly dependent on their structure but not number of the carbon atoms, this means that electronic and structural characteristics of different organics are important factors in synergism.

 Single crystal of PbCuP2O7 has been prepared by the conventional solid state reaction method. Its crystal structure has been determined from X-ray four-circle diffractometer data: P21/n, a=5.381(1), b=8.205(2), c=12.570(3)?, β＝90.49(3)°,Z=4, R=0.054 for 1311 structure factors and 101 variable parameters. The frame-work of PbCuP2O7 consists of corner-sharing CuO5 square pyramids and P2O7 groups forming large tunnels running along α-axis. Pb atoms are located in the penta nal shaped windows, which are formed by the edges of two square pyramid and three PO4 tetrahedra.

 The aim of this paper is to study how to treat the experimental adsorption isotherms by the conventional Type－I isotherm theories in order to acquire the required information of the adsorption system under supercritical conditions. The study was carried out on manipulation of a set of adsorption data of supercritical hydrogen on activated carbon AX－21 over a temperature range of 77－298K. The results show that the Langmuir equation can well model the experimental data, but cannot provide any reliable information about the adsorption system considered; the Virial equation cannot model the whole set of data satisfactorily, but it can give Henry's law constants reliably， from which isosteric heat of adsorption can then be precisely determined. Some inspection of the adsorption mechanism was made on fitting data to Dubinin-Astakhov equation. Although this equation can best model the experimental data, the reality of any physical quantity evaluated from it might be doubtful since the parameters in the model interact each other during regression and some quantities in the equation are ill－defined under supercritical condition.

The effects of ZrO2 modification of γ-Al2O3 on the desorption-renewal properties of surface oxygen species and the reduction behavior of copper species on CuO/γ-Al2O3 were studied by TPD-MS and TPR methods, and its activity for CO oxidation was examined. The results indicated that the presence of ZrO2 could promote the desorption of surface oxygen species and the reduction of copper species on CuO/γ-Al2O3 and thus increasing the activity for CO oxidation. In addition, it was found that the desorptibility of oxygen species and the reducibility of copper species on γ-Al2O3 or ZrO2-Al2O3 were affected by variation in the conditions of thermal treatment.

 According to the phenomenon theory of micellar solution, the Gibb's free energy of salt added C8-lecithin micellar solutions is deduced using Debye-Huckel's and Kirkwood's theories of electrolytes. The mechanism of ion-amphiphilic molecule interaction, and the variation of the critical temperature of phase separation in the solutions vs ionic strength are also described with the Gibb's free energy model. The model consists of a linear term of ionic strength, contributed from ion-dipole interaction, and a square root term of ionic strength, contributed from ion-ion interaction. A formula which describes the critical temperature of phase separation is also deduced from the Gibb's free energy model. The formula appears as, T’c=Tc- A1I1/2+A2I ,and agrees well with the experimental data of both monovalent and divalent salt added micellar solutions.

UV pulsed laser ablation of tantalum oxide at 355nm has been investigated by angle-resolved time-of-flight quadrupole mass spectrometric method. The measured TOF spectra show that the main ablation neutral products are O, Ta, TaO and TaO2, and the corresponding ionic species are observed with increasing the laser fluence. Their TOF spectra can be fitted by multicomponent Maxwell-Bolztmann distributions with a center-of-mass velocity, and the translational energies of the ionic species are independent on the laser fluence under our experimental conditions. The angular distributions of the ionic and neutral ablation products can be fitted by the expressions of acosnθ(n≈26　) and acosθ+bcosnθ (n≈27), respectively. Possible mechanisms for the production of these species in the UV laser ablation process are discussed.

The generation of nano-size particles by chemical reaction is a new method with advantages, which provides nano-size particles in a form of thin film called particulate film. Since the chemical reaction takes place at surface, it would be effected by the physicochemical properties of the gas phase, liquid phase and surface phase. In this work, light reflectivity measurement, transmission electron microscopy, UV-visible spectroscopy and electron diffraction technique have been used to investigate the effects of the properties of gas phase on the particulate film formation of ZnS.

Based on the diffusion action of gallium in silicon and SiO2 ,a diffusion model of gallium doping in bare silicon system and SiO_2/Si system is first presented in this paper ,the gallium doping effect in the two systems is analyzed theoretically. Experiments and applications have proved that the use of the open-tube gallium deffusion in SiO2/Si system can substantially improve diffusion quality and device characteristics .

The copolymerization of CO with ethylene was studied with high pressure in situ IR technique using (DPPPr)Pd(p-CH3PhSO3)2 as the catalyst precursor. Two IR absorptions of carbonyl groups were observed at 1900cm-1 and 1810cm-1 under pure CO ambience, which proved that CO was coordinated with Pd(Ⅱ) under pure CO ambience. Three IR absorptions were observed at 1638, 1616, 1970cm -1 under real reaction conditions, which could be assigned to three intermediates (1,2,3) respectively, indicating that the insertion of CO into Pd-OR bond was probabaly one of the main initation path ways in alcohol solvent.

 Nickel-palladium film on p-Si prepared by potential -controlled electrodeposition has much better adherence than that deposited by other methods .To reveal the reasons of this effect, X-ray photoelectron spectroscopy (XPS) combined with Ar+ sputtering was used to investigate the interface of NiPd /Si. The results showed that dramatic interdiffusion of Ni, Pd and Si had occurred at atmospheric temperature. On the XPS spectra of nickel and palladium , there are two kinds of binding energy , contributed by pure metals and metal silicide respectively. NiSi, PdSi and Pd2Si were formed at the interface. Both of the electric field on the surface and the H atoms in the metal lattice have the possibility to promote reactions between nickel or palladium and silicon .

 Study of the phase chemistry relation of quaternary system CsBr-SmBr3-(13%)HBr-H2O at 25 ℃ is carried out in order to investigate the reaction of CsBr and SmBr3 in hydrobromic acid. A new compound 5CsBr.2SmBr3.22H2O is discovered and obtained in the system. X-ray powder diffraction, thermal analysis (TG and DTA) and polarization character of the new compound obtained from the system are investigated. Meanwhile, the synthetic mechanisms of compounds (CsSm2Br7, Cs3Sm2Br9, Cs3SmBr6 and Cs2SmBr5) are suggested on the basis of phase chemical relation of the system.

 Fluorescein ethyl ester as a model and four dyads of Fluorescein and Anthroic acid linked with different length spacer were synthesized and characterized. They were put in bilayer membrane and on SnO2 coated substrate, The photoinduced voltaic responses were observed and compared when fluorescein was excited using visible light. It was found that the dyads have higher responses than the model, and the dyad with a butylene spacer (n=4) has the highest response. The results and related mechanisms were discussed.

The stability of different crude oil emulsions from ASP flooding production well is studied by the method of a stirred tank. The demulsifying of crude-oil emulsion by different demulsifying agents is discussed. The breakage of the crude oil emulsions from the well PO11 by the different types and concentrations of the emulsifying agents is also discussed. The breaking mechanism of the demulsifying agent is described microscopically.

The influence of adsorbed CO diffusion on the first order phase transition point (y2)of CO oxidation based on Langmuir-Hinshelwood mechanism was studied in detail by Monte Carlo simulation. It was found that CO diffusion increased the value of the first order phase transition point(y2) and when the ratio(k) of diffusion probability of adsorbed CO to adsorption probability of CO is 100, y2 is equal to 0.642. The correlated y2 value is in od agreement with the theoretical result(0.65) obtained by Mai when k approaches to infinity large.

 The kinetic processes of the photoionization and dissociation of 4H-furan have been investigated by using synchrontron radiation. The IP of 4H-furan and APs of other ions are tten from the spectra, the possible channels of dissociative photoionization have been annalyzed. A serices of stable clusters composed of (THF)n. (H2O)n-2H+ (n=2,3,4,5) are present in the MS and the possible structures of the clusters are given.