The central object of this work is to explore a method, which can be used to get information of other dynamic variables from the dependent time behaviors of any one dynamic variable in complex systems. The embedding phase patterns of o-NH2C4COOHBZ reaction systems were made based on embedding theorem and the experimental data of concentration of bromine ion received by computer. A saturated embedding dimension m≥8 has been shown, and a related BZ reaction mechanics with 10 chemical species as dynamic variables was presented and resolved by Gear al rithm. The concentrations with time of Br-. Mn3+, HBrO2, HOBr and BrO2 were simulated.

In this paper, the quantum energy levels and the level splitting of the first and the second excited states generated by the stretching vibration of CH and CD bonds in normal benzene C6H6 (vapour and liquid) and deuterated benzene C6D6 (vapour and liquid) have been studied in detail by new non-linear quantum mechanical theory in weak disperse limit. The distribution of energy levels of benzene molecules has been also obtained, and is consistent with experimental data.

The suffidation process of Mo/Al_2O_3, Mo/TiO_2-Al_2O_3, Co/Al_2O_3 t Co/TiO_2Al_2O_3, Co-Mo/Al_2O_3 and Co-Mo/TiO_2-Al_2O_3 samples were studied by using "in - situ" XPS techniques. The results show that for alumina-supported catalysts with lower Mo orCo loading (less than 0.05 g MoO_3/gAl_2O_3 or 0.03 g CoO/gAl_2O_3 respectively) the Mo andCo sulfides can not be formed. While the catalysts supported on the TiO_2-modified aluAnna, the sulfidatrion of Mo/TiO_2-Al_2O_3 catalysts is much easier than that of Mo/Al_2O_3catalysts. The highly dispersed cobolt oxidic species are very difficult to the Co/Al_2O_3 catalysts be sulfided even at 400 ℃, while the sulfidation of Co_3O_4crystallite is much easier. The TiO_2-modified alumina doed not affect the sulfidation of the Co/Al_2O_3 catalysts in the form of higher dispersion, but has a significant influence on the sulfidation of Co_3O_4 crystallite. The activity measurements of thiophene hydrodesulfurization (HDS) indicate that a od correlation exists between the degree of sulfidation and HDS activity for both Co-Mo/Al_2O_3 and Co-Mo/TiO_2-Al_2O_3 catalysts. The HDS activity and sulfidation degree of Co-Mo catalysts can be increased remarkly as using the TiO_2-modified alumina carrier.

The surface pressure-area isotherms of mixed monolayers at the air/water interface have been determined for systems: d-α-, d-β-, d-γ-, and d-δ-tocopherol(TOC) with dipalmitoylphosphatidylcholine (DPPC) and dioleoylphosphatidylcholine(DOPC); d-α-TOC and cholesterol (CH) with dilinoleoylphosphatidylcholine (DLPC);and d-α-TOC with DPPC/DLPC (1:1/mol:mol). The effect of the chromanol methyl groups of vitamin E(VE) on its physicochemical behaviors in these monolayers had been discussed. It was observed that (1) TOC caused the DPPC monolayer to expand in the order ofα>β≈γ>δ, and the DOPC monolayer to condense in reverse order; (2) The collapse pressure of monolayer for DOPC and DLPC was not changed by TOC, while that of DPPC decreased; (3) Addition of d-α-TOC into the monolayer of equimolar mixture of DPPC and DLPC did not change the collapse pressure but produced an expanding effect; (4) Contrary to the generally accepted view, the physicochemical function of VE in mixed monolayer of phospholipids was obviously different from that of CH.

The structures and stabilization of six nitrogen-centered radicals NHCH=CHR(R=H 、 BH2、 CN、 F、 OH、 NH2) have been studied with ab initio method at UHF/4-31G level, full optimized. The energies of stabilization of six radicals NHCH=CHR(R=H、 BH2、 CN、 F、 OH、 NH2) are 0.00、-34.92、-8.35、-0.93、33.05、50.85kJmol-1) respectively, which indicated that the substituents OH and NH2 play a role of stabilization on the nitrogen-centered radical and BH2 、CN play a role of de- stabilization.

Geometries and electronic properties of a series of nereistoxin compounds and isomer, dihydronereistoxin, dithiocyanate ester, padan and sha chong dan have been calculated using MNDO- PM3 method. The relationship of molecular geometries, electronic properties and biological activities of these compounds is discussed in the article.

Kinetic studies on the electron transfer(ET) reaction of [Co(NH3)5(ImH)]3+/[Fe(CN)6]4- and trans-[Co(NH3)(en)2(ImH)]3+/[Fe(CN)6]4- have been carried out at various temperatures. The results indicated that these two ET reactions followed the outer sphere mechanism. At 25℃,I=0.50mol L-1, the ion pair formation constants Qip of the precursor complexes in the ET reactions are 2.6×102 and 4.9 × 102mol L-1 ,and the electron transfer rate constants kct are 2.1 ×10-4 and 5.2 ×10-5s-1 respectively. The activation enthalpy △Het≠ and the activation entropy △Set≠ of these two processes are 1.2×102, 0.8×102kJ/mol and 5.1×102, 3.6×102kJ/mol﹒K-1 respectively.

XRD was used to Characterize the system of alumina supported ZrO2 in a temperature range of 500-1000℃. It was found that ZrO2 in ZrO2-Al2O3 sample was non-crystalline below 600℃, cubic-ZrO2 over a temperature range of 600-900℃,and t-ZrO2at temperature higher than 900℃. The pore structure, CO oxidation activity and suface oxygen properties of out-layer ZrO2 were also studied. The results indicated that small out-layer ZrO2 made a contribution to pore structure of alumina base in a pore size range of 10-50Å, and not only was CO oxidation activity of ZrO2-Al2O3 samples related to its phase structure, but also to properties of its surface oxygen desorption and lattice oxygen defect.

The enthalpy changes of M ﹒2B2O3-27.56% MgCl2-H2O and H3BO3-27.56%MgCls-H2O solution during azeotropic hydrochloric acid titration have been studied with Sweden LKB8700-1 precise calorimeter. The results indicated that the reaction enthalpy changes of solutes (expressed as H3BO3 and M ﹒2B2O3) increase with the increase of their concentrations in the solution. Combined with the pH titration curves of M ﹒2B2O3-27.56% MgCl2-H2O with that of azeotropic hydrochloric acid, the reaction mechanism of the solutions with hydrochloric acid has been discussed.

In order to define the force of heteropoly acids on adsorbed activated carbon surface, IR spectra of 12-silicotungstic acid (SiW12) and 12-tungstophosphoric acid(PW12) adsorbed on activated carbon and in oxygen-containing orgainc compound solutions were studied. Based on the IR spectra and UV characteristics of the heteropoly acids in various chemical conditions, the chemical bonding between heteropoly acid and oxygen-containing groups on the surface of activated carbon was suggested.

Co-electrodeposition of lanthanum with nickel from aqueous solution with EDTA as complexing agent was studied. Ni-La alloy coating containing La up to 22.58wt%was obtained. From the results of the experiments it was believed that the codeposition of La with Ni belongs to the inductive codeposition mechanism. By XPS analysis the valences of both La and Ni in the obtained alloy coatings were to be zero. It was proved through the analysis and calculation of the XRD data that all the Ni-La alloy coatings in which La content was equal to or less than 22.58wt% were in crystalline structure of displacement solid solution.