ON STRUCTURES,PROPERTIES AND CHEMICAL BOND OF Te-Se-I GLASS AND OF ADDING As,Ge ELEMENTS ONE

Te-Se glass and adding As,Ge elements to itare studied with Selt-Consistent-Field Discrete Variatioal X_α(SEF-DV-X_α),one of the molecule orbital calculating meth-ods in quantum chemistry.The chemical bonding is used todiscuss the relations between structures and properties with thevarations of compositions of the glasses.The calculated re-sults show that the strength of covalent and ionic bonds areboth in the order of Ge-Se>As>Se>Te-Se,which is consis-tent with the experimental result of the glass-transition tem-perature(T_g) of the corresponding glasses.The Te-I bond inwhich Ⅰ atom is one-coordinate is sstronger than that in whichⅠ atom is two-coordinate,As-Ⅰ and As-As bonds are bothstronger than the two types of Te-Ⅰ bonds.The waek Te-Ⅰbonds have been replaced by the stronger As-Ⅰ and As-Asbonds,which is just the reason why As addition in TeX glass-es can obviously improve the thermal and chemical properties.     

Inhibition effect of a synthesized N, N＇-bis（2-hydroxybenzaldehyde）- 1, 3-propandiimine on corrosion of mild steel in HC1

The corrosion inhibition of mild steel in 1 mol/L HCl by N, N′-bis (2-hydroxybenzaldehyde)-1, 3-propandiimine (2-HBP) has been investigated by using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and chronoamperometry measurements. The experimental results suggest that this compound is an excellent corrosion inhibitor for mild steel and the inhibition efficiency increases with the increase in inhibitor concentration. Polarization curves reveal that this organic compound is a mixed type inhibitor. The effect of temperature on the corrosion behavior of mild steel with the addition of the Schiff base was studied in the temperature range from 25℃ to 65℃. The experimentally obtained adsorption isotherms follow the Langmuir equation. Activation and thermodynamic adsorption parameters such as E a , ΔH, ΔS, K ads and ΔG ads were calculated by the corrosion currents at different temperatures and using the adsorption isotherm. The morphology of mild steel surface in the absence and presence of 2-HBP was examined by atomic force microscope (AFM) images.     

Adsorption isotherm and inhibition effect of a synthesized di-(m-Formylphenol)-1,2-cyclohexandiimine on corrosion of steel X52 in HCl solution

The potential of di-(m-Formylphenol)-1,2-cyclohexandiimine as an environmentally friendly corrosion inhibitor for steel was investigated in 1 mol/L HCl using potentiodynamic polarization, electrochemical impedance spectroscopy and chronoamperometry measurements. All electrochemical measurements suggest that this compound is an excellent corrosion inhibitor for mild steel and the inhibition efficiency increases with the increase in inhibitor concentration. The effect of temperature on the corrosion behavior of mild steel with the addition of the Schiff base was studied in the temperature range from 25 °C to 65 °C. It is found that the adsorption of this inhibitor follows the Langmuir adsorption isotherms. The value of activation energy and the thermodynamic parameters such as ΔHads, ΔSads, Kads and ΔGads were calculated by the corrosion currents at different temperatures using the adsorption isotherm. The morphology of mild steel surface in the absence and presence of inhibitor was examined by scanning electron microscopy(SEM) images.     

Corrosion inhibition of low phosphonic multipolymer water treatment agent of industry circulating on brass in aqueous solution

In response to environmental guidelines, a low phosphonic multipolymer was synthesized and its corrosion inhibition efficiency to brass in synthetic water was investigated through weight loss measurements and electrochemical tests. It showed that the synthesized inhibitor decreased corrosion under the conditions tested. Potentiodynamic polarization curves indicated that the new inhibitor acted as an anodic inhibitor, reducing metal dissolution. The composition of protective films formed on the brass was studied by energy-dispersive X-ray analysis （EDX）. The inhibition effects were due to the formation of a protective film of the multipolymer inhibitor on the metal surface.     

Effect of tetracarbon additives on gibbsite precipitation from seeded sodium aluminate liquor

Effects of tetracarbon additives, 1-butanol, 1,4-dioxane and tetrahydrofurane on gibbsite precipitation from caustic seeded sodium aluminate liquor were investigated. The additive was charged into supersaturated seeded sodium aluminate liquor, then the precipitation ratio of aluminate liquor in 10 h was evaluated and compared, and the particle size distribution of product was measured. The Mulliken atomic charge of oxygen in the additive molecule was calculated with DMo13 program. The results show that 1-butanol has little effect on gibbsite crystallization, while the precipitation ratios under the effect of 1,4-dioxane and tetrahydrofurane are 1.7% and 3.6% higher than that of the blank, respectively. The agglomeration efficiency of the product is also enhanced obviously by the addition of 1,4-dioxane and tetrahydrofurane. The precipitation ratio is inversely proportional to Mulliken atomic charge of oxygen atom, which implies that functional group in the additive molecule is involved in the gibbsite precipitation process more fundamentally than carbon chain.     

Surface Modification of Hydroxyapatite by Using γ-aminopropyl Silane

Surface modification of hydroxyapatite( HA) powder was performed with r-aminopropyi silane in toluent solvent. The modification effects were characterized by using XPS and FT-IR methods . The results indicated that the P2p electron binding energy of the modified HA decreases 0.4 eV compared to that of HA . Furthermore , a new peak, 998cm-1 absorption appeared in IR differential spectra of modified HA and HA, which is due to a stretching vibration of structure P-O-Si, meaning that a direct covalent bonding between hydroxyl group on HA surface and the organic silane molecule was realized after modification, and the chemical bonding type was P- O-Si. The formation of the above structure suggested that the more effective interfacial adhesion between the modified HA and polymer matrix could be carried out.     

Mechanism of current efficiency improvement of Zn-Fe alloy electroplating by hydrogen inhibitor

The effect of hydrogen inhibitor on partial current densities ofZn, Fe and differential capacitance of electrode/electrolyte interface, and adsorbing type of hydrogen inhibitor were studied by the methods of electrochemistry. The mechanism of current efficiency improvement were explained from the point of valence electron theory. The results indicate that the partial current density of Fe increases in addition of hydrogen inhibitor, which reaches the maximum of 0.14 A/dm^2 when current density is 0.2 A/din〈 Differential capacitance of electrode/electrolyte interface decreases obviously from 20.3μF/cm^2 to 7 μF/cm^2 rapidly with the concentration varying from 0 to 20 mL/L, because hydrogen inhibitor chemically adsorbs on active points of Fe electrode surface selectively. Element S in hydrogen inhibitor with negative electricity and strong capacity of offering electron shares isolated electrons with Fe. The adsorption of H atom is inhibited when adsorbing on active points of Fe electrode surface firstly, and then current efficiency of Zn-Fe alloy electroplating is improved accordingly.     

Model of Coherent Interface Formation in Cement-Based Composites Containing Polyblend of Polyvinyl Alcohol and Methylcellulose

The texture of interfacial zone between cement paste and quartz in the cement-based composites containing polyvinyl alcohol (PVA) ,methylceUulose (MC) and their polyblend in an amount of 10 wt % with respect to cement, as well as the texture of dehydrated bodies of PVA , MC , and the polyblend solutions, were inves-tigated with SEM. The network texture of the dehydrated polyblend is confirmed by comparing the texture of dehy-drated bodies of PVA and MC. The network texture has restrained the movement of polyblend molecules in the ce-ment mortar but is helpful to forming a coherent interface between cement paste and quartz. The key factor of form-ing the coherent inteoCace is not the neutralization reaction between H ^ from hydrolysis of quartz and OH ^- from hydration of cement, but the electrostatic attraction and the chemical reaction between polar groups on the polyblend molecule and cations and anions from hydrolysis of quartz and hydration of cement, respectively. The model of the coherent interface formation is that excessive [ HSiO3 ]^ - and [ SiO3 ]^2- an/ons are bonded tgzh the hydrated cations such as Ca^2 and Al^3 , which is confumed by the gel containing Ca and Si on the quartz surface.     

Calculation of electron structure by density function theory and electrochemical process of surface （100） of FeS2

The electron structure of FeS2 surface (100) was computed by DFT (density function theory) and the process of electron transfer in sulfide flotation was simulated through ab-initio calculation. The results show that the interaction between xanthate and FeS2 is controlled by the energy of valence band. The products and degree of the reaction depend on the density of state of valence band and concentration of positive hole in valence band. Interaction between xanthate and pyrite can be changed by modifying the election structure of the surface of pyrite. Xanthate is adsorbed on the surface of intrinsic pyrite. But the amount of xanthate adsorbed on the surface of the pyrite with sulfur vacancy is more than that on the surface of the intrinsic pyrite due to the higher electron and vacancy density. Xanthate is not adsorbed on the surface of pyrite with Fe vacancy because of its high Fermi energy.     

Mierostrueture and Properties of Coating from Cemented Carbide on Surface of Hl3 Steel

The microstructures and properties of coating from cemented carbide on the substrate of H13 by vacuum powder sintering were studied.The effect of sintering temperature on the microstructures of coating was discussed.The interface characteristics between coating and H13 steel substrate,microhardness distribution and wear resistance in the coating were analyzed.The coating from cemented carbide with thickness of 1-3 mm by vacuum powder sintering at temperature ranging from 1280℃to 1300℃was obtained.The experimental results indicated that the coating with microhardness of HV1600 favorable to wear resistance is strongly bonded with the H13 steel substrate by mutual diffusion and penetration of Fe,Cr,Mo,V in substrate towards the coating and W,Co,Ni in coating towards the substrate.     

New anodizing process for magnesium alloys

Compact anodic films with high hardness and good corrosion resistance on magnesium alloys were prepared by a new constant voltage and arc-free anodizing process. The effects of anodizing parameters such as applied voltage and electrolyte temperature on the peak current density and the thickness of films were investigated. In addition, the morphologies and corrosion resistance of films were investigated by scanning electron microscopy and potentiodynamic polarization, respectively. The results show that the higher the applied voltage, the higher the peak current density and the thicker the films. However, too high applied voltage may result in breakdown of films and intense sparking which may deteriorate the properties of the anodic films and bring about unsafety. The new anodizing process can be applied in a wide range of temperature. The new anodic films have numbers of pores with the diameter of 0.5 - 5.0 μm which do not transverse the entire film.     

Effect of doping Bi on oxygen evolution potential and corrosion behavior of Pb-based anode in zinc electrowinning

A new anodic material of ternary Pb-0.8%Ag-(0–5.0%)Bi alloy for zinc electrowinning was obtained by doping Bi. The anodic oxygen evolution potential, corrosion rate, surface products after polarization, and microstructures before and after polarization were studied and compared with those of Pb-0.8%Ag anode used in industry. The results show the anodic overpotential decreases with the increase of Bi content in the alloys. When the content of Bi is 1.0% (mass fraction), the anodic overpotential is 40–50 mV lower than that of Pb-0.8%Ag anode. While the corrosion rate decreases and then increases with the increase of Bi content. The Pb-0.8%Ag-0.1%Bi anode has the lowest corrosion rate (0.090 6 mg/(h·cm₂). Doping Bi influences the structure of the anodic layer, but does not change the phase. The Pb-0.8%Ag-1.0%Bi anode layer is of a more fine-grained structure compared with Pb-0.8%Ag anode. Foundation item: Project(2007SK2009) supported by the Science and Technology Research Project of Hunan Province, China     

Technology of black coloring for stainless steel by electrochemical method

The technology of black coloring for stainless steel by electrochemical method was studied. The optimum bath compositions and operating conditions were obtained as follows. 40 - 50 g/L K2Cr2O7, 15 - 20 g/L MnSO4, 15 -20 g/L （NH4）2SO4, 20 -40 g/L H3BO3, 20 -30 g/L additive A, 2 g/L （NH4）6Mo7O24 ; time 9 -20 min; temperature 15 - 30 ℃ ; potential 3 V and current density 1 - 2 mA/cm^2. The effects of the compositions of the bath on the quality of black colored film were discussed. The influences of passivation process on the black coloring velocity and performances of black colored film layer were investigated. The results show that the passivation process can improve the corrosion resistance and the stability to bear color-change; （NH4）2 SO4 can control the black coloring velocity and prolong black coloring bath life remarkably; and additive A can improve the evenness and compactness of black colored film layer. The results of scanning electron microscopy and energy dispersive spectra show that the microstructure is of cylindrical lump, the filling process can decrease the crackles, and the main elements of black colored film are Fe, Cr, Mn and Ni.     

Preparation and photocatalytic properties of Fe-doped TiO2 nanoparticles

Nanocrystalline Fe-doped TiO2 with size of 60-70 nm was prepared by a sol-gel technique, followed by freeze-drying treatment for 2 h. Thermogravimetric and differential thermal analyses, X-ray diffraction, scanning electron microscope, laser diffraction particle size analyzer and OV-Vis spectrophotometer technologies were used to characterize the product. The photocatalytic activities of the samples were evaluated by the degradation of wastewater of paper-making. The effects of Fe ion implantation on the photocatalytic activity of TiO2 were also dis-cussed. The results show that the iron content plays an essential role in affecting the photocatalytic activity of the Fe-doped TiO2 and the optimum content of Fe-doped is 0.05% (mass fraction). The photocatalytic activity of sam-ples with lower content of Fe-doped is higher than that of pure TiO2 in the treatment of paper-making wastewater.The photo-degradation effect of paper-making effluent is the best by means of Fe-doped TiO2 with 0.05 % Fe.     

Effect of metallic phase species on the corrosion resistance of 17M/（10NiO-NiFe2O4） cermet inert anode of aluminum electrolysis

1 INTRODUCTIONThere are many disadvantages in the presentaluminumelectrolysis with carbon anode ,such assevere energy consumption,carbon wasting,envi-ronmental pollution and so on.Inert electrode sys-tem can overcome these disadvantages[1 3]. Re-cently ,the researches of the inert anode materialshave mainly been concentrated on alloys[4]and cer-met materials[5 ,6]. NiFe2O4based cermets , whichpossess not only high electrical conductivity ofmetal but also good corrosion resistance of cera…     

Experimental study on wear failure course of gas-valve/valve-seat in engine

The wear failure course of gas-valve/valve-seat in engine was investigated with a simulating tester. The results show that the failure of the contact conical surface is mainly caused by the elastic and plastic deformation and the fatigue micro-crack and spalling. The creep-deformation and corrosion atmosphere accelerated wear failure course at the high temperature. The wear failure course of the gas-valve/valve-seat in engine follows general wear rules of mechanical elements, but the rate of wear in the sharp wear stage is faster. Foundation item: Project supported by Postdoctoral Foundation of Central South University; project (04B035) supported by the Youth Foundation of Hunan Province Education Bureau     

Hollow fiber liquid-supported membrane technology for enantioseparation of racemic salbutamol by combinatorial chiral selectors

Enantioseparation of salbutamol solute was carried out in liquid-supported membrane by using a polyvinylidene fluoride hollow-fiber module. The enantioselective transport of solute was facilitated by combinatorial chiral selectors, which were dissolved in toluene organic solvent. The effects of molar concentration ratios of salbutamol to combinatorial chiral selectors, and the pH value of buffer solution on enantioseparation were investigated. The results show that when the molar concentration ratio is 2 ： 1 ： 1, the maximum separation factor and enantiomer excess are 1.49 and 19.74%, respectively, and the R-enantiomer flux is more than S-enantiomer; the pH value of buffer solution influences the performances of enantioseparartion obviously, and the appropriate range of pH value is 7.0-7.2.     

Delay-independent decentralized H ∞ control for multi-channel discrete-time systems with uncertainties

A robust decentralized H∞ control problem was considered for uncertain multi-channel discrete-time systems with time-delay. The uncertainties were assumed to be time-invariant, norm-bounded, and exist in the system, the time-delay and the output matrices. Dynamic output feedback was focused on. A sufficient condition for the multi-channel uncertain discrete time-delay system to be robustly stabilizable with a specified disturbance attenuation level was derived based on the theorem of Lyapunov stability theory. By setting the Lyapunov matrix as block diagonal appropriately according to the desired order of the controller, the problem was reduced to a linear matrix inequality （LMI） which is sufficient to existence condition but much more tractable. An example was given to show the efficiency of this method.     

Synthesis and photophysical and electrochemical properties of new cyclometalated platinum complex containing oxadiazole ligand

A new cyclometalated platinum complex containing 2, 5-bis（naphthalene-1-yl）-1,3,4-oxadiazole ligand was synthesized and characterized. The UV-Vis absorptions and photoluminescent properties of the ligand and its platinum complex were investigated A characteristic metal-ligand charge transfer absorption peak at 439 nm in the UV spectrum and a strong emission peak at 625 nm in the photoluminescence spectrum were observed for this complex in dichloromethane. Cyclic voltammtry （CV） analysis shows that the EHOMO （energy level of the highest occupied molecular orbital） and ELUMO （energy level of the lowest unoccupied molecular orbital） of the platinum complex are about -5.69 and -3.25 eV, respectively, indicating that the oxadiazole-based platinum complex has a potential application in electrophosphorescent devices used as a red-emitting material.