Quantitative Structure Property Relations （QSPR） for Predicting Molar Diamagnetic Susceptibilities, xm, of Inorganic Compounds

For predicting the molar diamagnetic susceptibilities of inorganic compounds, a novel connectivity index ^mG based on adjacency matrix of molecular graphs and ionic parameter gi was proposed. The gi is defined as gi=（ni^0.5-0.91）^4·xi^0.5｜Zi^0.5, where Zi, ni, xi are the valence, the outer electronic shell primary quantum number, and the electronegativity of atom i respectively. The good QSPR models for the molar diamagnetic susceptibilities can be constructed from ^0G and ^1G by using multivariate linear regression （MLR） method and artificial neural network （NN） method. The correlation coefficient r, standard error, and average absolute deviation of the MLR model and NN model are 0.9868, 5.47 cgs, 4.33 cgs, 0.9885, 5.09 cgs and 4.06 cgs, respectively, for the 144 inorganic compounds. The cross-validation by using the leave-one-out method demonstrates that the MLR model is highly reliable from the point of view of statistics. The average absolute deviations of predicted values of the molar diamagnetic susceptibility of other 62 inorganic compounds （test set） are 4.72 cgs and 4.06 cgs for the MLR model and NN model. The results show that the current method is more effective than literature methods for estimating the molar diamagnetic susceptibility of an inorganic compound. Both MLR and NN methods can provide acceptable models for the prediction of the molar diamagnetic susceptibilities. The NN model for the molar diamagnetic susceptibilities appears more reliable than the MLR model.

INHIBITIVE ACTION OF INORGANIC COMPOUND ON CORROSION OF ALUMINIUM IN HYDROCHLORIC ACID

The inhibitive action of CaSO_4 towards corrosion of aluminium in 1 mol/L HCl has been inveetigated by using fluorometrio and weight loss techniques.The results show that the inhibitor exhibits an outstanding function of inhibition,especially at higher tempe- ratures,and it was found to be predomiantly of cathodic rate control.Ths mechanism of inhibition and the effect of CdSO_4 on the corrosion kinetics are also discussed.

The Application of Fertilizer and AMF Promotes Growth and Reduces the Cadmium and Lead Contents of Ryegrass (Lolium multiflorum L.) in a Copper Mining Area

Heavy metal-polluted soil was collected from the Pulang copper mine in Shangri-La City,Yunnan Province,Southwest China.The effects of fertilizer(organic and inorganic)and arbuscular mycorrhizal fungi(AMF)on ryegrass(Lolium multiflorum L.)growth,root morphology,mineral nutrition and cadmium(Cd)and lead(Pb)contents were investigated by pot experiments.The results showed that both fertilizer and AMF significantly ameliorated the root morphology and mineral nutrition,reduced the Cd and Pb contents,and promoted the growth of ryegrass.Among all treatments,the combined application of organic–inorganic compound fertilizer with AMF had the highest effect,resulting in increases in root length,surface area and branch number by 2.3,1.1,and 3.9 times,respectively;an 88%increase in plant biomass;a nitrogen content increase of 2.3 and 1.2 times,and phosphorus content increase of 62%and 68%in shoots and roots,respectively was also recorded as well as decreases in Cd content by 34%and 62%and Pb content by 47%and 34%in shoots and roots,respectively.Twofactor analysis showed that both fertilizer and AMF significantly promoted ryegrass growth(plant height,biomass,chlorophyll content,root length,nitrogen and phosphorus content)and reduced the Cd and Pb contents in roots,and there was a synergistic effect between them.Moreover,the nitrogen and phosphorus contents were very significantly positively correlated with the shoot and root biomasses but very significantly negatively correlated with the Cd and Pb contents of ryegrass.Thus,the application of fertilizer and AMF synergistically improved ryegrass growth on polluted soils in the copper mining area.

Synthesis of spherical CoAl_2O_4 pigment particles with high reflectivity by polymeric-aerosol pyrolysis

Spherical cobalt blue particles with good reflectivity characteristics were synthesized by spray pyrolysis. Two different spray solutions were prepared to investigate the differences in the morphology and the reflectivity properties of cobalt blue particles. One was an aqueous solution, and the other was a polycation solution that was obtained by chemically modifying the aqueous solution with NH4OH. The cobalt blue particles prepared with the aqueous solution had an irregular morphology after heat treatment at 1000~C for 2 h. On the contrary, spherical and dense particles were obtained from the polycation solution. The spherical and dense cobalt blue particles showed remarkable improvement in reflectivity compared with that of irregular morphology particles as well as the commercial.

Synthesis and characterization of yttrium hydroxide and oxide microtubes

Hexagonal microtubes with hexagonal phase Y（OH）3 were successfully synthesized by a facile solvothermal method at 160°C for 12 h in the absence of surfactants or templates via a crystal transformation route. Scanning electron microscopy （SEM） results demonstrate that the prepared hexagonal microtubes are with a wall thickness of 50-100 nm, an outer diameter of 1 μm, and lengths going up tens of micrometers. Cubic phase Y2O3 microtubes were obtained after thermal treatment of the Y（OH）3 microtubes at 700 oC for 4 h. Eu^3＋-doped Y2O3 microtubes with strong red emission at 610 nm were also prepared and their photoluminescence （PL） properties were studied. The possible mechanism for the formation of the microtubes was briefly discussed.

Microstructure and temperature dependence of magnetic properties of CuO-added MnZn ferrites

MnZn ferrites with the chemical formula Mn0.68Zn0.25Fe2.07O4 have been prepared by a conventional ceramic technique. Then, the effects of CuO addition on the microstructure and temperature dependence of magnetic properties of MnZn ferrites were investigated by characterizing the fracture surface micrograph and measuring the magnetic properties over a temperature ranging from 25 to 120 C. The results show that the lattice constant and average grain size increase with the increase of CuO concentration. When the CuO concentration is below 0.07 wt.%, the initial permeability and saturation magnetic flux density increase monotonously, and the temperature of the secondary maximum peak in the curve of initial permeability versus temperature and the lowest power loss shift to a lower temperature with the increase of CuO concentra-tion. However, excessive CuO concentration （0.07 wt.%） results in abnormal grain growth and porosity increase, which causes the initial permeability and saturation magnetic flux density decrease and the power loss increase at room temperature. Furthermore, the temperature of the secondary maximum peak in the curve of initial permeability versus temperature and the lowest power loss shift to a higher temperature.

Fabrication and magnetic properties of NiFe_2O_4 nanorods

NiFe2O4 nanorods have been successfully synthesized via thermal treatment of the rod-like precursor fabricated by Ni-doped （x-FeOOH, which was enwrapped by the complex of citric acid and Niz~. The morphology evolution during the calcination of the precursor nanorods was investigated with transmission electron microscopy （TEM）, and the phase and the magnetic properties of samples were analyzed through X-ray diffraction （XRD） and vibrating sample magnetometer （VSM）. The results indicated that the diameter of the NiFe204 nanorods obtained ranged between 30 and 50 nm, and the length ranged between 2 and 3 um. As the calcination temperature was up to 600℃, the coercivity, saturation magnetization, and remanent magnetization of the samples were 36.1 kA.m^-1, 27.2 A.m2.kg^-1, and 5.3 A.m2.kg^-1, respectively. The NiFe2O4 nanorods prepared have higher shape anisotropy and superior magnetic properties than those with irregular shapes.

Preparation and magnetic properties of Fe_2O_3 microtubules prepared by sol-gel template method

Fe（OH）3 precursor sol was prepared by a sol-gel method. The precursor sol was dipped onto the absorbent cotton, and gel was formed on the absorbent cotton template after the volatilization of moisture. Fe2O3 microtubules were synthesized after the process of self-propagation or calcination. The phase, morphology, and particle diameter of the samples were examined by X-ray diffraction （XRD） and scanning electron microscopy （SEM）, and the magnetic properties of the samples were measured using a vibrating sample magnetometer （VSM）. The external diameters of Fe2O3 microtubules ranged between 8 and 13 μm, and the wall thicknesses ranged between 0.5 and 2 μm. The type of the calcination method plays a significant role in developing the Fe2O3 phase and the variation in the magnetic properties in the sol-gel template complexing method. γ-Fe2O3 was synthesized by a self-propagation method. However, α-Fe203 was synthesized after calcination at 400℃ for 2 h. The coercivity of the samples synthesized by calcination at 400℃ for 2 h after self-propagation was found to increase significantly, thereby presenting hard magnetic properties.

Determination of sulfur anions by ion chromatography-postcolumn derivation and UV detection

A novel method for determination of formaldehyde sulfoxylate, sulfite, thiocyanate, and thiosulfate in foodstuffs by ion chromatography separation with postcolumn derivation and UV detection has been developed. All species are separated at Dionex IonPac AG22A and AS22A with mobile phase of a mixture of 4.5 mmol/L sodium carbonate and 0.8 mmol/L sodium bicarbonate at a flow-rate of 1.0 mL/min. The postcolunm derivation solution was 0.24% iodine in 0.2% phosphate acid and the detection wavelength was set at 288 nm. The detection limits （LOD, signal-to-noise ratio of 3） of formaldehyde sulfoxylate, sulfite, thiocyanate, and thiosulfate were 0.004, 0.006, 0.006, and 0.007 mg/L, respectively. Within-day relative standard deviations （RSD, n = 10） of formaldehyde sulfoxylate, sulflte, thiocyanate, and thiosulfate were 3.24%, 3.76%, 2.68%, and 2.07%, respectively. The recoveries of the four anions were in the range of 67.2-116.5%.

Study on crystallization and microstructure of Li_2O-Al_2O_3-SiO_2 glass ceramics

Lithium aluminosilicate （LAS） glasses are generally difficult to prepare because of their high melting temperature. In this study, the preparation of LAS glasses was achieved at a relatively low melting temperature. The batch containing MgO-ZnO-LiEO- Al2O3-SiO2 was melted in a platinum crucible at 1550℃ for 2 h and was then followed by two- or three-step heat treatment processes for nucleation and crystal growth. The characterizations were carried out by differential thermal analysis, X-ray diffraction, infrared spectroscopy, scanning electron microscopy, and UV-Vis-NIR scanning spectrophotometry. The hexagonal stuffed β-eucryptite solid solution crystallized at 840-960℃. Most of the hexagonal β-eucryptite solid solution transformed into the tetragonal β-spodumene solid solution at 1100℃. Almost all the aluminum atoms entered into the tetrahedral sites in the aluminosilicate network of the 6- eucryptite/β-quartz solid solution. All of the Al atoms did not belong to the aluminosilicate network of the β-spodumene solid solution. The glass ceramic with a mean grain size of 10-20 nm is transparent, the transmittance reaches -85% in the visible light wavelength.

Evaluating the effects of granular and membrane filtrations on chlorine demand in drinking water

In this study, chlorine decay experiments were conducted for the raw water from Nakdong River that is treated by Chllseo Water Treatment Plant （CWTP） situated in Haman, Korea as well as the effluents from sand and granular activated carbon （GAC） filters of CWTP and fitted using a chlorine decay model. The model estimated the fast and slow reacting nitrogenous as well as organic/inorganic compounds that were present in the water. It was found that the chlorine demand due to fast and slow reacting （FRA and SRA） organic/inorganic substances was not reduced significantly by sand as well as GAC filters. However, the treated effluents from those filters contained FRA and SRA that are less reactive and had small reaction rate constants. For the effluents from microfiltration, ultrafiltration, and nanofiltration the chlorine demand because FRA and SRA were further reduced but the reaction rate constants were larger compared to those of sand and GAC filter effluents. This has implications in the formation of disinfection by products （DBPs）. If DBPs are assumed to form due to the interactions between chlorine and SRA, then it is possible that the DBP formation potential in the effluents from membrane filtrations could be higher than that in the effluents from granular media filters.

SYNTHESIZING KINETICS AND MICRO-CHARACTERIZATION OF SPINEL LiMn_(2)O_(4) FOR LITHIUM-ION BATTERY CATHODE MATERIAL

The reaction process during synthesis of LiMn2O4 with LiOH&middotH2O and MnO2 was studied by means of DTA in dynamical air atmosphere, and it could be applied as an important theoretical principle for preparing LiMn2O4. The active energies of four reaction processes were obtained with Doyle-Ozawa method and Kissinger method as follows: 66.299, 72.640, 128.11 and 113.876 kJ&middotmol-1, respectively. Reaction orders, frequency factors and kinetic equations of each reaction were determined by Kissinger method. XRD, SEM and TEM show that the synthesized LiMn2O4 is a pure phase, with regular appearance and higher ratio-surface.

Hydrogen Storage Alloy Pair as a Bus Air Conditioner

A new hydrogen storage alloy pair, La0.6Ml0.4Ni4.7 Cr0.3-La0.2Mm0.8Ni4.35Fe0.65, was developed to serve as a bus hydride air conditioner, which utilizes the waste heat of exhaust gases of a bus as the high temperature source. Under the operating temperature of 150-250 °C/35-40°C/15-20°C, the maximum working hydrogen capacity and the theoretical value of COPc are 4.5 and 0.74 H/mol M respectively, which can meet the practical requirements.

Syntheses and Structures of Alkali Metal Rare Earth Polyphosphates CsLn(PO_3)_4 (Ln = La,Ce)

Alkali metal-rare earth polyphosphates, CsLn（PO3）4 （Ln = La, Ce）, were synthesized by the high temperature solution reaction and studied by single-crystal X-ray diffraction technique. They crystallize in the monoclinic space group P21 （Z = 2） and feature infinite PO4 spiral chains linked with neighboring CsO10 and LnO8 polyhedra. In addition, theoretically calculated energy band structure and density of states （DOS） by the density functional theory （DFT） predict that the solid-state compound CsLa（PO3）4 possesses insulative character.

Formation Mechanism and Template-free Synthesis of Hierarchical m-ZrO_2 Nanorods by Hydrothermal Method

Here, a new idea was proposed for template-free synthesis of hierarchical m-ZrO2 nanorods and ＂their＂ possible formation mechanism based on a series of chemical reactions by simple hydrothermal method. The traditional preparation methods of hierarchical ZrO2 nanorods involved inexpensive equipment, complicated process, and high production cost. The as-synthesized products composed of many nanorods with 180-200 nm in diameter and 5-7 μm in length. The fi nal product after annealing involved hierarchical monoclinic ZrO2（m-ZrO2） nanorods, namely, the big nanorod was made up of many small nanorods with 40-50 nm in diameter and 500-600 nm in length. The experimental results were useful in understanding the chemical properties of ZrB2 and ZrO2 and the design of the derivatives for m-ZrO2 nanomaterials.

Denitrification in Qi'ao Island coastal zone,the Zhujiang Estuary in China

Samples of sediments and the overlying water were collected in the Qi＇ao Island coastal zone,the Zhujiang（Pearl River） Estuary（ZE）.Denitrification rates,sediment oxygen demand（SOD）,and fluxes of inorganic nitrogen compounds were investigated with N2 flux method,using a self-designed continuous flow through and auto-sampling system.The results indicate that the denitrification rates varied between 222 and 908 μmol/（m2·h） with an average of 499 μmol /（m2·h）.During incubation,the sediments absorbed dissolved oxygen in the overlying water with SOD ranging from 300 to 2 363 μmol/（m2·h）.The denitrification rates were highly correlated with the SOD（r2=0.77） regardless of the NO-3＋NO-2 concentrations in the overlying water,organic carbon contents in sediments and water temperature,suggesting that the SOD was probably the main environmental factor controlling the denitrification in the Qi＇ao Island coastal zone.There was a net flux of NO-3＋NO-2 into the sediments from the overlying water.The NH＋4 flux from sediments into water as the result of mineralization was between 12.3 and 210.3 μmol/（m2·h）,which seems limited by both organic carbon content in sediment and dissolved oxygen concentration in the overlying water.

Water uptake of multicomponent organic mixtures and their influence on hygroscopicity of inorganic salts

The hygroscopic behaviors of atmospherically relevant multicomponent water soluble organic compounds（WSOCs） and their effects on ammonium sulfate（AS） and sodium chloride were investigated using a hygroscopicity tandem differential mobility analyzer（HTDMA） in the relative humidity（RH） range of 5%–90%. The measured hygroscopic growth was compared with predictions from the Extended-Aerosol Inorganics Model（E-AIM） and Zdanovskii–Stokes–Robinson（ZSR） method. The equal mass multicomponent WSOCs mixture containing levoglucosan, succinic acid, phthalic acid and humic acid showed gradual water uptake without obvious phase change over the whole RH range. It was found that the organic content played an important role in the water uptake of mixed particles.When organic content was dominant in the mixture（75%）, the measured hygroscopic growth was higher than predictions from the E-AIM or ZSR relation, especially under high RH conditions. For mass fractions of organics not larger than 50%, the hygroscopic growth of mixtures was in good agreement with model predictions. The influence of interactions between inorganic and organic components on the hygroscopicity of mixed particles was related to the salt type and organic content. These results could contribute to understanding of the hygroscopic behaviors of multicomponent aerosol particles.

Preparation, characterization and luminescence of Sm^(3+) or Eu^(3+) doped Sr_2CeO_4 by a modified sol-gel method

Superfine Sr2CeO4:RE3+ (RE=Eu, Sm) phosphors were synthesized at relatively low temperature by a modified sol-gel method using nitrates as raw materials, ethylenediaminetetraacetic acid (EDTA) as complexing agent. Single phase phosphors could be obtained at calcination temperature above 800 °C and pH value higher than 6.4 of initial solution. The as-prepared powders consisted of uniform crotch-like grains. The preparation process was monitored by thermogravimetric and differential thermal analysis (TG-DTA) ...

Preparation and characterization of CeO_2 doped ZnO nano-tubes fluorescent composite

ZnO nanotubes were hydrothermally synthesized and the ZNTs/CeO2 fluorescent composite were prepared by introducing nano CeO2 particles into ZnO nano-tubes via a chemical solution adsorption and annealing process. The samples were characterized by X-ray diffraction, scanning electron microscopy, Fourier transformation infrared spectroscopy and room temperature photoluminescence measurement. Due to the interaction between Ce4+ and the surface atoms of ZnO2 nano-tubes, a photoluminescence enhancement was obser...