Preparation of new sunscreen materials Ce_(1-x)Zn_xO_(2-x) via solid-state reaction at room temperature and study on their properties

Superfine cerium-zinc oxides Ce1-xZnxO2-x with x = 0, 0.1, 0.3, 0.5, and 1.0 were obtained by grinding Ce（SO4）2·4H2O, ZnSO4·7H2O and NH4HCO3 under the condition of surfactant PEG-400 being present at room temperature, washing the mixture with water to remove soluble inorganic salts, drying at 80°C, and calcining.The precursor and its calcined samples were characterized using thermogravimetry and differential thermal analyses（TG/DTA）, UV-vis absorption spectroscopy, X-ray powder diffraction（XRD）, and scanning electron microscopy（SEM）.The results showed that superfine Ce1-xZnxO2-x behaved as an excellent UV-shielding material.The ZnO-doped CeO2 can facilitate the formation of crystalline state CeO2.The catalytic ability of products used in air oxidation of castor oil was investigated.The results showed that the catalytic abilities of products decreased with increasing zinc amount.

A THEORETICAL STUDY OF THE THERMODYNAMIC AND KINETIC PROPERTIES FOR THE REACTION OF FORMYL CYANIDE DECOMPOSITION

We compute the thermodynamic and the kinetic properties for the reaction: HCOCN→HCH+CO using the statistical theory and the transition-state theory.The equi- librium constants and the rate coefficients of this reaction are also reported here,and the half lives of formyl cyanide at different temperatures are first estimated in this work.

Effect of Homogenizing Procedures on the Properties of Reaction Sialon Suspension

Homogeneous, high concentrated ceramic suspensions wi th low viscosity are the key controlling factors for the production of ceramic c omponents through colloidal processing. A well-dispersed suspension can be obta ined by choosing suitable dispersant, solvent, particle size distribution etc. B esides these factors, the homogenizing procedure is also a key step. In this paper, reaction sialon suspensions were prepared using 3-wt% KD1 as dis persant in organic media composed of 60-vol% methyletheylketone and 40-vol% et hanol. Different homogenizing procedures have been used and compared, including planetary milling, low energy ball milling and ultrasonic disaggregation. The ef fects of different homogenizing routes and mixing times on the rheology and stab ility of suspensions, and on the microstructure of slip casting green bodies, ha ve been studied. The varying dispersion efficiencies observed could be attribute d to differences in deagglomeration degrees achieved and in adsorption amount of dispersant onto the surface of reaction sialon powders.

Structural Diversity and Photoluminescent Properties of Two Mn(Ⅱ) Sulfoterephthalate Complexes from Multi-pyridine N-containing Ligands

Solvothermal reaction of manganese（II） salt with monosodium 2-sulfoterephthalate（2-NaH2stp） and two multi-pyridine N-containing auxiliary ligands results in the formation of two new complexes formulated with [Mn2（Hstp）2（bpp）2（H2O）4]（1） and [Mn3（stp）2（tpy）3（H2O）]（H2O）5（2）（bpp = benz-2,3-pyrimidine-[2,3-f]-1,10-phenanthroline, tpy = 2,2＇：6＇,2＇＇-terpyridine）. X-ray diffraction structural analyses of two complexes reveal their structural diversity（0D and 1D） due to the difference of auxiliary ligands. 1 is a discrete structure, in which the Mn（Ⅱ） ion is hexa-coordinated with one stp, one bpp ligand and two water molecules. Complex 2 is a one-dimensional（1D） chain-like structure with three crystallographically independent Mn（Ⅱ） ions. The photoluminescent properties could be assigned to the π-π＊ transition of 2-sulfoterephthalate ligands.

Syntheses,Structures and Photoluminescent Properties of Cd(Ⅱ)Polymeric Complexes Based on 5-Aminoisophthalic Acid and Bipyridine Co-ligands

Two novel complexes, namely {[Cd（AIP）（4,4＇-bpy）]·1.3DMF}n（1） and [Cd（AIP）（2,2＇- bpy）]n（2）, have been synthesized through solvothermal reaction（H2AIP = 5-aminoisophthalic acid, 2,2＇-bpy = 2,2＇-bipyridine, 4,4＇-bpy = 4,4＇-bipyridine, and DMF = N,N＇-dimethylformamide） and structurally determined by single-crystal X-ray diffraction. Complex 1 shows a three-dimensional（3D） layer-pillar framework with rectangular channels, while complex 2 displays a two-dimensional（2D） wave net architecture. Furthermore, 1 and 2 were characterized by elemental analysis, infrared spectra（IR）, thermal gravimetric analyses（TGA） and fluorescence measurements. The luminescent properties of 1 dispersed in various organic solvents have been investigated systematically, demonstrating high selectivity for acetone via the fluorescence quenching effect.

Reaction Mechanism and Microstructure Evolution of Reaction Sintered h-BN

Hexagonal boron nitride ceramic（h-BN） based on the nitridation of B powders was obtained by reaction sintering method. The effects of sintering temperature on the mechanical properties and microstructure of the resultant products were investigated and the reaction mechanism was discussed. Results showed that the reaction between B and N2 occurred vigorously at temperatures ranging from 1 000 ℃ to 1 300 ℃, which resulted in the generation of t-BN. When the temperature exceeded 1 450 ℃, transformation from t-BN to h-BN began to occur. As the sintering temperature increased, the spherical particles of t-BN gradually transformed into fine sheet particles of h-BN. These particles subsequently displayed a compact arrangement to achieve a more uniform microstructure, thereby increasing the strength.

Synthesis,Crystal Structure,Physical Properties and Theoretical Studies of the New Ternary Sulfide with Closed Cavities:CsYb_7S_(11)

A novel ternary rare-earth sulfide, CsYb7S（11）, has been successfully synthesized by high-temperature solid-state reaction of an elemental mixture with modified Cs Cl flux. The single-crystal X-ray diffraction data reveal its orthorhombic symmetry in space group Cmca（no. 64） with a = 15.271（3）, b = 13.414（2）, c = 18.869（3） A°, V = 3865.2（2） A°^3, Z = 8, Mr = 1696.85, Dc = 5.832 g/cm^3, μ = 36.538 mm^-1, F（000） = 5768, the final R = 0.0225 and w R = 0.0517 for 2258 observed reflections with I 〉 2σ（I）, 2.67〈θ〈27.48o, w = 1/[σ^2（Fo^2） ＋（0.0443 P）2 ＋ 8.7453 P], where P =（Fo^2 ＋ 2Fc^2）/3, S = 1.036,（Δρ）max = 1.609 and（Δρ）min = –1.922. The remarkable structural feature is the dual tricapped Cs2@S18 cube closed cavities far apart within the three-dimensional [Yb7S（11）]-covalent bonding matrix. Magnetic susceptibility measurements show that the title compound exhibits temperature-dependent（50～300 K） para-magnetism and obey the Curie-Weiss law. Moreover, the optical gap of 2.03 Ev for CsYb7S11 was deduced from the UV/Vis reflectance spectroscopy and DFT study indicates an indirect band gap with an electronic transfer excitation of S-3p to Yb-5d orbital.

Theoretical Studies on the Structure and Detonation Properties of a Furazanbased Energetic Macrocycle Compound

Based on the full optimized molecular geometric structure at 6-311＋＋G＊＊ level,the density（ρ）,detonation velocity（D）,and detonation pressure（P） for a new furazan-based energetic macrocycle compound,hexakis[1,2,5]oxadi-azole[3,4-c：3＇,4＇-e;3＇＇,4＇＇-g：3＇＇＇,4＇＇＇-k：3＇＇＇＇,4＇＇＇＇-m：3＇＇＇＇＇,4＇＇＇＇＇-o][1,2,9,10]-tetraazacyclohexadecine,were investigated to verify its capacity as high energy density material（HEDM）. The infrared spectrum was also predicted. The heat of formation（HOF） was calculated using designed isodesmic reaction. The calculation on the bond dissociation energies（BDEs） was done and the pyrolysis mechanism of the compound was studied. The result shows that the N3–O1 bond in the ring may be the weakest one and the ring cleavage is possible to happen in thermal decomposition. The condensed phase HOF and the crystal density were also calculated for the title compound. The detonation data show that it can be considered as a potential HEDM. These results would provide basic information for the molecular design of novel high energy materials.

Synthesis and optical properties of turquoise-and green-colored brownmilleritetype Ba_2In_(2-x-y)Mn_xAl_yO_(5+x) codoped with manganese and aluminum

Brownmillerite-type oxides Ba_2In_（2-x-y）Mn_xAl_yO_（5＋x）（0 ≤ x ≤ 0.6, 0 ≤ y ≤ 0.5） were prepared at 1300°C through solid-state reaction. X-ray diffraction（XRD） analysis showed that the structure symmetry evolved from orthorhombic to cubic with increasing Mn and Al contents. When y was greater than 0.3, peaks associated with small amounts of BaAl_2O_4 and Ba_2InAlO_5 impurities were observed in the XRD patterns. When substituted with a small amount of Mn（x ≤ 0.3）, the Ba_2In_（2-x-y）Mn_xAl_yO_（5＋x） samples exhibited an intense turquoise color. The color changed to green and dark-green with increasing Mn concentration. UV–vis absorbance spectra revealed that the color changed only slightly upon Al doping. The valence state of Mn ions in Ba_2In_（2-x-y）Mn_xAl_yO_（5＋x） was confirmed to be ＋5 on the basis of X-ray photoelectron spectroscopic analysis. According to this analysis, the intense turquoise color of the Ba_2In_（2-x-y）Mn_xAl_yO_（5＋x） samples is rooted in the existence of Mn^（5＋）; thus, the introduction of Al does not affect the optical properties of the compounds.

Studies on the Redox Properties of Undecatungstotitanates Containing One Kind of Transition Metal

Some monosubstituted Keggin or Dawson anions nave been reporten by Hill to be "remarkably effective" catalysts for the epoxidation of alkenes, Hill, Finke and Neumann reported respectively that the transition metal monosubstituted heteropolyanions [PW;O;M（H;O）]";, [P;W;O;M（L）]"- and [SiW;O;Ru（H;O）];have an ability to catalyze the epoxidation of alkenes. And the undecatungstotitanates with one kind of transition metal have

Synthesis,Crystal Structure and Optical Properties of KPr(MoO_4)_2 with the Scheelite-type Structure

Solid-state reaction of praseodymium （III） oxide,K2CO3 and MoO3 at high temperature leads to a potassium lanthanide double molybdate,namely,KPr（MoO4）2. The structural and optical properties of the title compound have been investigated by means of single-crystal X-ray diffraction and spectroscopic measurements at room temperature. KPr（MoO4）2 crystallizes in tetragonal,space group I41/a with a = 5.401（3）,c = 12.044（10）,Z = 2 and R （I 〉 2σ（I）） = 0.0416. It features the famous scheelite-type structure （CaWO4）,which can be thought as the substitution of two Ca^2＋ ions in CaWO4 by a couple of K^＋ and Pr^3＋ ions in a statistical manner,and W^6＋ by Mo^6＋ cations.

Wear Behavior of In-situ TiC Particles Reinforced Aluminum Matrix Composite

The microstructure, tensile property and wear resistance of 7075 aluminum matrix composite reinforced with TiC particles prepared by in-situ reaction casting were investigated. The effect of TiC reinforcement on wear behavior was analyzed. The wear mechanism was also discussed. A micro-mechanism model of reaction kinetics for synthesis of TiC was acquired. Results show that TiC could increase the tensile and yield strength, but decrease the elongation. Besides, TiC particles improve the property of wear resistance of 7075 aluminum alloy. The wear mechanisms include abrasive wear and adhesive wear in wear test process.

Sintering characteristics and microwave dielectric properties of 0.5Ca_(0.6)La_(0.267)TiO_3-0.5Ca(Mg_(1/3)Nb_(2/3))O_3 ceramics prepared by reaction-sintering process

0.5 Ca（0.6La0.267TiO3-0.5 Ca（Mg1/3Nb2/3）O3（5 CLT-5 CMN） ceramics were prepared by a reaction-sintering process and their sintering characteristics, microwave dielectric properties were investigated in detail.Without any calcination stage involved,a mixture of CaCO_3, La_2 O_3, TiO_2, MgO and Nb_2 O_5 was pressed and sintered directly. Pure phase 5 CLT-5 CMN ceramics with high density and dense microstructure can be obtained after sintered at 1400 ℃ for 4 h. Compared with those prepared by the conventional ceramic route, 5 CLT-5 CMN ceramics produced by the reaction-sintering process exhibit slightly higher dielectric constant and Q×f value. Fine microwave dielectric properties of ε_r= 56.4, Q×f= 48,550 GHz and T_f = ＋8.7 ppm/℃ for 5 CLT-5 CMN ceramics sintered at 1400 ℃ for 4 h are obtained, suggesting reactionsintering process is a simple and efficient method to produce pure phase 5 CLT-5 CMN ceramics as a potential candidate for the fabrication of microwave devices.

THE MICROSTRUCTURE AND PROPERTY OF IN SITU TiC_P/Fe COMPOSITE

Under aircondition,theinsitu TiCP/ Fecompositeshavebeen fabricated by a reactivecast ing route usingtheinexpensiveraw materials. The microstructuresofthecompositehavebeen studied by X ray diffraction,image analyzer and analyticalelectron microscopy. The me chanicalpropertiesand abrasive wearresistanceofboththeas castcompositeandthequenched composite havebeen measured. Theresultsshow thattheinsitu TiCparticles with a average sizeof 4 51μm exhibit a homogenous distribution inthe matrix, and an excellentinterface bonding between the particle and the matrix is achieved. As above microstructure features, thecomposite,especiallythequenched composite, hashigher mechanicalpropertiesand betterwear resistance,compared with high Cr whitecastiron.

Interdependence between electrical and magnetic properties of polycrystalline cobalt-substituted tungsten bronze multiferroic ceramics

Polycrystalline cobalt-substituted tungsten bronze ferroelectric ceramics with chemical composition Ba_(5)CaTi_(2-x)Co_(X)Nb_(8)O_(30)(x=0.00,0.02,0.04 and 0.08)were synthesized by solid state reaction technique.X-ray diffraction(XRD)technique was used to confirm the phase formation and it revealed the formation of single phase tetragonal structure with space group P4bm.The surface morphology of the samples was studied by using the scanning electron microscopy(SEM)technique.The dielectric properties such as dielectric constant and dielectric loss have been investigated as a function of temperature and frequency.The P-E and M-H studies confirmed the coexistent of ferroelectricity and magnetism at room temperature.The P-E loop study indicated an increase in the coercive field while the M-H study depicted a decrease in the magnetization with the incorporation of cobalt ions.

Solid-Liquid State Bonding of Si3N4 Ceramics with Ceramic-Modified Brazing Alloy

Solid-liquid state bonding of Si3N4 ceramics with TiN-modified Ag-Cu-Ti brazing alloy was used'- to enhance joint strength. The effects of the TiN particles on the microstructures, interfacial reactions, and room-temperature properties of the joints were investigated. The results show that the TiN particles are gen- erally well dispersed in the Ag-Cu eutectic base and the interface between them is both clean and com-pact. Changes in the TiN volume fractions from 0 to 20% exert no noticeable effect on the interfacial reac-tion between Ag-Cu-Ti and the substrates. Other bonding parameters being constant, the TiN volume frac-tion in the filler material plays a key role in the joint properties. For TiN volume fractions below 20%, the joints are reinforced, especially joints with 5% and 20% TiN. The average shearing strength of joints with 5% TiN is 200.8 MPa, 30% higher than that of joints with no TiN (154.1 MPa). However, for TiN volumes frac- tions above 20%, the joint strengths decrease.