Physical chemistry experiments are an important branch of chemical experiments.In view of problems and shortcomings in physical chemistry experiment teaching of food quality and safety major in Chengdu University,the ...Physical chemistry experiments are an important branch of chemical experiments.In view of problems and shortcomings in physical chemistry experiment teaching of food quality and safety major in Chengdu University,the teaching methods of physical chemistry experiment course of food quality and safety major were explored and practiced,aiming to arouse students enthusiasm for experiments and cultivate their ability of independent learning,comprehensive thinking and independent problem solving.展开更多
A new photocatalyst, TiO_2 powder immobilized on polystyrene (PS) thin films,was prepared using a novel method and its photocatalytic activity on the photodegradation ofacridine dye in aqueous solution was tested. By ...A new photocatalyst, TiO_2 powder immobilized on polystyrene (PS) thin films,was prepared using a novel method and its photocatalytic activity on the photodegradation ofacridine dye in aqueous solution was tested. By this method, the crystal form and grain size of theimmobilized TiO_2 were well maintained. Compared with TiO_2 powder, the photocatalytic activity ofTiO_2/PS thin films was not significantly reduced. The catalyst is stable and can be reused severaltimes without the loss of activity, which makes wastewater treatment using this photocatalyticdegradation technique of this way possible in the practical application.展开更多
Platinum was electrodeposited onto a polyaniline-modified carbon fiberelectrode by the cyclic voltammetric method in sulfuric acid, which may enable an increase in thelevel of platinum utilization currently achieved i...Platinum was electrodeposited onto a polyaniline-modified carbon fiberelectrode by the cyclic voltammetric method in sulfuric acid, which may enable an increase in thelevel of platinum utilization currently achieved in electrocatalytic systems. This electrodepreparation consists of a two-step procedure: first electropolymerization of aniline onto carbonfiber and then electrodeposition of platinum. The catalytic activity of theplatinum-polyanihne-modified carbon fiber electrode (Pt/PAni/C) was compared with that of a barecarbon fiber electrode (Pt/C) by the oxidation of methanol. The maximum oxidation current ofmethanol on Pt/PAni/C is 50.7 mA centre dot cm^(-2), which is 6.7 times higher than 7.6 mA centredot cm^(-2) on the Pt/C. Scanning electron microscopy was used to investigate the dispersion of theplatinum particles of about 0.4 um.展开更多
In this paper, the kinetics of pressure leaching for purification of metallurgical grade silicon with hydrochloric acid was investigated. The effects of particle size, temperature, total pressure, and concentration of...In this paper, the kinetics of pressure leaching for purification of metallurgical grade silicon with hydrochloric acid was investigated. The effects of particle size, temperature, total pressure, and concentration of hydrochloric acid on the kinetics and mechanism of iron removal were studied. It was found that the reaction kinetic model followed the shrinking core model, and the apparent activation energy of the leaching reaction was 46.908 kJ/mol. And the apparent reaction order of iron removal with pressure leaching was 0.899. The kinetic equation was obtained and the mathematical model of iron removal from metallurgical grade silicon (MG-Si) was given as follows:The values calculated from the equation were consistent with the experimental results.展开更多
The treatment of wastewater containing bromphenol blue (BPB) by WO3/α-Fe203 was studied. Reaction mechanism of photocatalysis enhanced by photosensitizer was probed. The relationships between the composition of het...The treatment of wastewater containing bromphenol blue (BPB) by WO3/α-Fe203 was studied. Reaction mechanism of photocatalysis enhanced by photosensitizer was probed. The relationships between the composition of heterogeneous photocatalyst, the starting concentration of BPB, amount of photocatalyst, pH, amount of H2O2, illumination time and the decoloring rate of BPB were discussed. The results show that the decoloring rate of BPB can reach 99.1% by using WO3/α-FeaO3 as heterogeneous photocatalyst, with the composition of m(WO3):m(α-Fe2O3 )=3:1, the initial concentration of BPB = 15mg/L, the amount of catalyst = 0.300 g, pH= 6.3, the amount of H2O2 =0.2 mL, and the illumination time = 6 h.展开更多
Dust sediments collected from 1995 to 1998 in Beijing, Dunhuang, Inner Mongolia, Kashi, the Kunlun Mountains, Lanzhou, Ningxia, the Taklimakan Desert, and Xi’an, China, were characterized in terms of their physical, ...Dust sediments collected from 1995 to 1998 in Beijing, Dunhuang, Inner Mongolia, Kashi, the Kunlun Mountains, Lanzhou, Ningxia, the Taklimakan Desert, and Xi’an, China, were characterized in terms of their physical, chemical, and mineralogical properties. Most aerosols and dust analysed ranged in texture from silty clay to clay loam. Their median particle diameters (Mds) generally ranged between 5 to 63 μm, coinciding with those of loess from central China and the finest sand from northwestern China. The dust sediments were characterized by a predominance of SiO2 and Al2O3, followed by K2O. Their SiO2/Al2O3 and K2O/SiO2 molar ratios ranged from 5.17 to 8.43 and from 0.009 to 0.0368, respectively. The mass concentration spectrum during a dust storm showed a single peak, rather than the triple peak generally observed under clear sky conditions. The dominant minerals were chlorite, illite, calcite, and dolomite. These physical, chemical, and mineralogical properties were consistent with those of aeolian soils and loess in western and central China. The results suggest that aerosols and fine-grained fractions of dust sediments collected in northern China are mainly composed of soil material transported from the arid and semiarid regions of China and Mongolia by prevailing winds. The rate of deposition and properties of dust falling on eastern China were strongly influenced by meteorological conditions, season, latitude, longitude, and altitude of the sampling sites.展开更多
Lattice parameters of lead titanate were precisely re-determined in thetemperature range of-150-950 deg C by high precision XRPD measurements. It was clarified that therewas no any evidence for a new phase transition ...Lattice parameters of lead titanate were precisely re-determined in thetemperature range of-150-950 deg C by high precision XRPD measurements. It was clarified that therewas no any evidence for a new phase transition at low tempera-lures. Tetragonal distortion straindecreases with temperature increasing. A novel thermal expansion was observed, positive thermalexpansion from -150 deg C to room temperature (RT) and above 490 deg C, and the negative thermalexpansion in the temperature range of RT-490 deg C. A big jump of thermal expansion coefficient isattributed to the tetragonal-cubic phase transition. A rationalization for the negative thermalexpansion of PbTiO_3 is due to the decrease of anion-anion repulsion as polyhedra become moreregular at heating. The mechanisms of positive and negative thermal expansions were elucidated asthe same nature in the homogenous tetragonal phase at present case.展开更多
Complex nanometer particles WO3/TiO2 were prepared using a sol-gel process and characterized using XRD spectra. The photocatalytic activity of TiO2 can be increased by doping W^6+ with TiO2 because the doped W^6+ th...Complex nanometer particles WO3/TiO2 were prepared using a sol-gel process and characterized using XRD spectra. The photocatalytic activity of TiO2 can be increased by doping W^6+ with TiO2 because the doped W^6+ that entered into the crystal lattices of TiO2 led to the formation of defects in the crystal lattices of TiO2 and thereby improved the photocatalytic activity of TiO2.When WO3 doped in TiO2 exceeded 3%, the excess W^6+ did not enter into the crystal lattices of TiO2 but were uniformly dispersed in TiO2 or they covered the surface of TiO2, which reduced the effective illumination area of TiO2 and thereby lowered the photocatalytic activity of TiOE.The relationship among the composition of the catalyst, the amount of photocatalyst, the illumination time, and the decolorizing rate of methyl orange (MO) were discussed. The results show that the decolorizing rate of MO can reach 82.3% using WO3/TiO2 as the photocatalyst, with the composition of WO3/TiO2 -3:97, the mass of catalyst = 0.400 g, the initial concentration of MO = 20 mg/L, pH = 6.5, and the illumina- tion time = 7 h.展开更多
We perform a three-dimensional numerical simulation based on a one-step chemical reaction model to investigate changes in the mode of H2-Air detonation wave propagation from rotating detonation wave (RDW) mode to st...We perform a three-dimensional numerical simulation based on a one-step chemical reaction model to investigate changes in the mode of H2-Air detonation wave propagation from rotating detonation wave (RDW) mode to standing detonation wave mode. The physical characteristics of an RDW with injection velocity of 500 m/s are analyzed to investigate the physical mechanisms involved. We find that with increasing injection velocity, the detonation wave gradually changes from perpendicular to the head wall to parallel to the head wall. When the injection velocity exceeds the Chapman-Jouguet velocity VCJ (about 1984 m/s), the detonation wave changes orientation to become perpendicular to the fuel injection direction, and the rotating mode changes accordingly to a standing mode. Finally, the plane detonation characteristic triple-wave structures can be found from the standing mode.展开更多
The friction sensitivity(FS) of five linear and eight cyclic nitramines has been determined.Arrhenius parameters of non-autocatalyzed thermal decomposition of these nitramines were used for comparison of the FS values...The friction sensitivity(FS) of five linear and eight cyclic nitramines has been determined.Arrhenius parameters of non-autocatalyzed thermal decomposition of these nitramines were used for comparison of the FS values with thermal reactivity.Generally,increasing values of activation energies of non-autocatalyzed decomposition of the studied nitramines are connected with decreasing FS values.A similar trend was found in the relation between FS and hypothetical initiation temperature for 5% conversion of the nitramines after 50 μs of their thermolysis,however,if in the given series of nitramines their initiation reactivity is predominantly determined by the energy content of their molecules and closer similarity of their molecular structures,then the above-mentioned trend may be opposite.The found relationships were used for prediction and verification of the activation energy of non-autocatalyzed thermal decomposition of 2,5-dinitro-2,5-diazahexane.展开更多
A fractal pore structure model of combustible cartridge cases was established by virtue of the fractal geometry. Pore structure information, such as backbone fractal dimension and pore fractal dimension, of four kinds...A fractal pore structure model of combustible cartridge cases was established by virtue of the fractal geometry. Pore structure information, such as backbone fractal dimension and pore fractal dimension, of four kinds of combustible cartridge case were obtained by mercury intrusion porosimetry (MIP) . The formation mechanism of fractal pore structure of combustible cartridge was studied. The results show that the backbone fractal dimension consists of the component and influenced by the component number and size of components; the pore percolation fractal dimension reflects the pore structures of components; and the fractal dimension of pore structure is positively relative to the tensile strength of combustible cartridge case.展开更多
The complex of neodymium chloride lower hydrate with diethylammonium diethyldithiocarbamate (D-DDC) was synthesized conveniently in absolute alcohol and dry N_2 atmosphere. The title complex was identified as Et_2NH_2...The complex of neodymium chloride lower hydrate with diethylammonium diethyldithiocarbamate (D-DDC) was synthesized conveniently in absolute alcohol and dry N_2 atmosphere. The title complex was identified as Et_2NH_2[Nd(S_2CNEt_2)_4] by chemical and elemental analyses and the bonding characteristics of which was characterized by IR. The enthalpies of solution of neodymium chloride hydrate and D-DDC in absolute alcohol at 298.15 K and the enthalpies change of liquid-phase reaction of formation for Et_2NH_2[Nd (S_2CNEt_2)_4] at different temperatures were determined by microcalorimetry. On the basis of experimental and calculated results, three thermodynamic parameters (the activation enthalpy, the activation entropy and the activation free energy), the rate constant and three kinetic parameters (the apparent activation energy, the pre-exponential constant and the reaction order) of liquid-phase reaction of formation were obtained. The enthalpy change of the solid-phase title reaction at 298.15 K was calculated by a thermochemical cycle.展开更多
Ti-Mo getters have been fabricated via metal injection molding (MIM) using three kinds of Ti powders with different mean particle sizes of 46 μm,35 μm and 26 μm,respectively. The surface morphology,porosity,and hyd...Ti-Mo getters have been fabricated via metal injection molding (MIM) using three kinds of Ti powders with different mean particle sizes of 46 μm,35 μm and 26 μm,respectively. The surface morphology,porosity,and hydrogen sorption properties of Ti-Mo getters formed by MIM using paraffin wax as a principal binder constituent were examined. It has been proven that the powder injection molding is a viable forming technique for porous Ti-Mo getters. The particle size of Ti powders and the powder loading influence...展开更多
We establish a new model based on fractal theory and cubic spline interpolation to study the effective thermal conductivity of isotropic porous silica low-k materials. A 3D fractal model is introduced to describe the ...We establish a new model based on fractal theory and cubic spline interpolation to study the effective thermal conductivity of isotropic porous silica low-k materials. A 3D fractal model is introduced to describe the structure of the silica xerogel and silica hybrid materials (such as methylsilsesquioxane, MSQ). Combined with fractal structure, a more suitable medium approximation is developed to study the isotropic porous silica xerogel and MSQ materials. Cubic spline interpolation for fitting discrete predictions from the fractal model is used to obtain the continuous function of the effective thermal conductivity versus porosity. Compared with other common models, the effective thermal conductivity predicted by our model presents better agreement with the experimental data for all porosity. These results indicate that the proposed model is valid.展开更多
The polyoxometalate complex (CPFX-HCl)(4)H5BW12O40-12H(2)O was prepared in aqueous solution for the first time, and characterized by elemental analysis, IR spectrum, and TG-DTG. The TG-DTG curves showed that its therm...The polyoxometalate complex (CPFX-HCl)(4)H5BW12O40-12H(2)O was prepared in aqueous solution for the first time, and characterized by elemental analysis, IR spectrum, and TG-DTG. The TG-DTG curves showed that its thermal decomposition was a four-step process consisting of the simultaneous collapse of Keggin anion. The intermediate and residue of the decomposition were identified by mean of TG-DTG, IR, and XRD technique. The non-isothermal kinetic data were analyzed by the Achar method and Coats-Redfern method. The apparent activation energy (E) and the pre-exponential factor (In A) of each decomposition were obtained. The most probable thermal decomposition reaction mechanisms were proposed by comparison of the kinetic parameters. The kinetic equation for both the second stage and the third stage can be expressed as d alpha/dt = Ae(-E/RT) -(1 - alpha)(2), and the fourth stage d alpha/dt = Ae(-E/RT) -(1 - alpha). And their mathematic expressions of the kinetic compensation effects of thermal decomposition reaction were also determined.展开更多
The friction sensitivity(FS) of five aliphatic linear and eight cyclic nitramines has been determined and correlated with DFT B3LYP/6-31-G(d,p) // 6-311+G(d,p) positive(VS,max) and negative(VS,min) extremes of molecul...The friction sensitivity(FS) of five aliphatic linear and eight cyclic nitramines has been determined and correlated with DFT B3LYP/6-31-G(d,p) // 6-311+G(d,p) positive(VS,max) and negative(VS,min) extremes of molecular surface electrostatic potentials VS(r).While there is an ambiguous relationship between the VS,max values and FS values,the decrease of FS is connected(more or less) with increase in VS,min values.展开更多
Based on the crystal engineering, six models of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine(HMX)/3-nitro-1,2,4-triazol-5-one(NTO) supramolecular explosive were designed. The probable formation of HMX/NTO supramol...Based on the crystal engineering, six models of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine(HMX)/3-nitro-1,2,4-triazol-5-one(NTO) supramolecular explosive were designed. The probable formation of HMX/NTO supramolecular explosive was investigated by the molecular dynamic (MD) method. Interaction between oxygen atoms in HMX and hydrogen atoms in NTO or between hydrogen atoms in HMX and oxygen atoms in NTO were studied by the radial distribution function (RDF). It shows that there are strong hydrogen bonds and Van Der Waals forces between HMX and NTO, in which the hydrogen bonds between oxygen atoms in the NTO and hydrogen atoms in HMX are the main host-guest interactions. The distributions of bond length, bond angle and dihedral angle were simulated by MD. It shows that the structure of HMX is seriously distorted. The binding energies and X-ray powder diffraction (XRD) patterns were calculated on the basis of the final HMX/NTO supramolecular structures. The results show that the binding energies of six supramolecular models are E binding (1 1 1-) >E binding (1 0 0)>E binding (0 2 0)>E binding (random)>E binding (1 0 2-)>Ebinding (0 1 1), and the XRD patterns of six supramolecular models are quite different from pure HMX or NTO. Based on the investigation for growth morphology, binding energies and RDF, the model of HMX supercell substituted by NTO along the (1 1 1-) surface of HMX is easier to form.展开更多
Metal-tip/Pr0.7Ca0.3MnO3/Pt devices possess two types of I-V hysteresis: clockwise vs counter clockwise depending on the tip materials. The criteria for categorization of these two types of devices can be simply base...Metal-tip/Pr0.7Ca0.3MnO3/Pt devices possess two types of I-V hysteresis: clockwise vs counter clockwise depending on the tip materials. The criteria for categorization of these two types of devices can be simply based on whether the Gibbs free energy of oxidation for the metal tip is lower or higher than that of PCMO, respectively. While the clockwise hysteresis can be attributed to electric field induced oxidation/reduction, the counter clockwise hysteresis can be explained by oxygen vacancy migration in an electrical field. Alternating-current conductance spectra also reveal distinct hopping barriers between these two categories of devices at high resistive states.展开更多
The oxidative properties and characterization of CuO, CeO 2 and CuO/CeO 2 cata lysts were examined by means of a CO micro-reactor GC system, TPR, XPS and X-r ay diffraction Rietveld methods. The results show that ei...The oxidative properties and characterization of CuO, CeO 2 and CuO/CeO 2 cata lysts were examined by means of a CO micro-reactor GC system, TPR, XPS and X-r ay diffraction Rietveld methods. The results show that either CuO or CeO 2 ac tivity is quite low for CO oxidation. However, when CuO and CeO 2 are mixed, the oxidative activity of the catalyst increases significantly, probably owing to the valency status of copper species (Cu 2+ and Cu+) on the CeO 2 surfa ce, the dispersion and reducibility. XPS surface analysis shows that CuO loading is very important in forming of either Cu 2+ or Cu+. Rietveld analysis s hows that some CuO, which has smaller ion radius than Ce 4+, enters the Ce O 2 lattice after CuO and CeO 2 are mixed. When the CuO loading reaches 5.0%, the size of CuO crystals is a minimum (6.1 nm) and the micro-strain value i s a maximum (2.86×10 -3), resulting in high surface energy and the best ac tivity for CO oxidation.展开更多
Different GAP-based CSRP samples with different binder contents were prepared and compared with that of conventional HTPB propellant.The crosslinker mixture of trimethylol propane(TMP)and butane diol(BD)was used in th...Different GAP-based CSRP samples with different binder contents were prepared and compared with that of conventional HTPB propellant.The crosslinker mixture of trimethylol propane(TMP)and butane diol(BD)was used in the GAP matrix beside the addition of dibutyltin dilaurate(DBTDL)to ensure cross-linking and curing completion of the prepared CSRP.The viscosity and hardness of all prepared formulations were monitored continuously during the curing process.The mechanical characteristics of cured samples were tested.The burning rate at operating pressure and specific impulse were measured,while the theoretical specific impulse(I sp)was calculated by ICT code and compared with the measured results.According to the results,DOA was found to be a suitable plasticizer for GAP when using in propellant.The mechanical properties of CSRP with 25%GAP can produce the optimum mechanical behavior,which is close to that of HTPB-based CSRP.The optimum GAP-based formulation is one candidate to replace the traditional HTPB-based CSRP with high burning rate for some applications.展开更多
文摘Physical chemistry experiments are an important branch of chemical experiments.In view of problems and shortcomings in physical chemistry experiment teaching of food quality and safety major in Chengdu University,the teaching methods of physical chemistry experiment course of food quality and safety major were explored and practiced,aiming to arouse students enthusiasm for experiments and cultivate their ability of independent learning,comprehensive thinking and independent problem solving.
基金This project is financially supported by the Natural Science Foundation of China (QT program)
文摘A new photocatalyst, TiO_2 powder immobilized on polystyrene (PS) thin films,was prepared using a novel method and its photocatalytic activity on the photodegradation ofacridine dye in aqueous solution was tested. By this method, the crystal form and grain size of theimmobilized TiO_2 were well maintained. Compared with TiO_2 powder, the photocatalytic activity ofTiO_2/PS thin films was not significantly reduced. The catalyst is stable and can be reused severaltimes without the loss of activity, which makes wastewater treatment using this photocatalyticdegradation technique of this way possible in the practical application.
文摘Platinum was electrodeposited onto a polyaniline-modified carbon fiberelectrode by the cyclic voltammetric method in sulfuric acid, which may enable an increase in thelevel of platinum utilization currently achieved in electrocatalytic systems. This electrodepreparation consists of a two-step procedure: first electropolymerization of aniline onto carbonfiber and then electrodeposition of platinum. The catalytic activity of theplatinum-polyanihne-modified carbon fiber electrode (Pt/PAni/C) was compared with that of a barecarbon fiber electrode (Pt/C) by the oxidation of methanol. The maximum oxidation current ofmethanol on Pt/PAni/C is 50.7 mA centre dot cm^(-2), which is 6.7 times higher than 7.6 mA centredot cm^(-2) on the Pt/C. Scanning electron microscopy was used to investigate the dispersion of theplatinum particles of about 0.4 um.
基金financially supported by the Program for New Century Excellent Talents of Ministry of Education of China (No.NCET-07-0387)the National Natural Science Foundation of China (No.51064014)
文摘In this paper, the kinetics of pressure leaching for purification of metallurgical grade silicon with hydrochloric acid was investigated. The effects of particle size, temperature, total pressure, and concentration of hydrochloric acid on the kinetics and mechanism of iron removal were studied. It was found that the reaction kinetic model followed the shrinking core model, and the apparent activation energy of the leaching reaction was 46.908 kJ/mol. And the apparent reaction order of iron removal with pressure leaching was 0.899. The kinetic equation was obtained and the mathematical model of iron removal from metallurgical grade silicon (MG-Si) was given as follows:The values calculated from the equation were consistent with the experimental results.
基金This work is financially supported by the Natural Science Foundation of Anhui Province,China (No. 050450301)
文摘The treatment of wastewater containing bromphenol blue (BPB) by WO3/α-Fe203 was studied. Reaction mechanism of photocatalysis enhanced by photosensitizer was probed. The relationships between the composition of heterogeneous photocatalyst, the starting concentration of BPB, amount of photocatalyst, pH, amount of H2O2, illumination time and the decoloring rate of BPB were discussed. The results show that the decoloring rate of BPB can reach 99.1% by using WO3/α-FeaO3 as heterogeneous photocatalyst, with the composition of m(WO3):m(α-Fe2O3 )=3:1, the initial concentration of BPB = 15mg/L, the amount of catalyst = 0.300 g, pH= 6.3, the amount of H2O2 =0.2 mL, and the illumination time = 6 h.
基金the National 973 (TG2000048705) the Hundred Tal ent Scholar Foundation (Grant No.2003401)+1 种基金 the Key Projects (KZCX1-09-03) , (KZCX1-10-06) of the Chinese Academy of Sciences the National Natural Science Foundation of China (Grant No. 40171007).
文摘Dust sediments collected from 1995 to 1998 in Beijing, Dunhuang, Inner Mongolia, Kashi, the Kunlun Mountains, Lanzhou, Ningxia, the Taklimakan Desert, and Xi’an, China, were characterized in terms of their physical, chemical, and mineralogical properties. Most aerosols and dust analysed ranged in texture from silty clay to clay loam. Their median particle diameters (Mds) generally ranged between 5 to 63 μm, coinciding with those of loess from central China and the finest sand from northwestern China. The dust sediments were characterized by a predominance of SiO2 and Al2O3, followed by K2O. Their SiO2/Al2O3 and K2O/SiO2 molar ratios ranged from 5.17 to 8.43 and from 0.009 to 0.0368, respectively. The mass concentration spectrum during a dust storm showed a single peak, rather than the triple peak generally observed under clear sky conditions. The dominant minerals were chlorite, illite, calcite, and dolomite. These physical, chemical, and mineralogical properties were consistent with those of aeolian soils and loess in western and central China. The results suggest that aerosols and fine-grained fractions of dust sediments collected in northern China are mainly composed of soil material transported from the arid and semiarid regions of China and Mongolia by prevailing winds. The rate of deposition and properties of dust falling on eastern China were strongly influenced by meteorological conditions, season, latitude, longitude, and altitude of the sampling sites.
基金This work is financially supported by Natural Science Foundation of Beijing(No.2032010)National Natural Science Foundation of China(No.20171006)Funds of Ministry of Education of China for Training Ph.D.Candidates (No.2001008005)
文摘Lattice parameters of lead titanate were precisely re-determined in thetemperature range of-150-950 deg C by high precision XRPD measurements. It was clarified that therewas no any evidence for a new phase transition at low tempera-lures. Tetragonal distortion straindecreases with temperature increasing. A novel thermal expansion was observed, positive thermalexpansion from -150 deg C to room temperature (RT) and above 490 deg C, and the negative thermalexpansion in the temperature range of RT-490 deg C. A big jump of thermal expansion coefficient isattributed to the tetragonal-cubic phase transition. A rationalization for the negative thermalexpansion of PbTiO_3 is due to the decrease of anion-anion repulsion as polyhedra become moreregular at heating. The mechanisms of positive and negative thermal expansions were elucidated asthe same nature in the homogenous tetragonal phase at present case.
基金This work was financially supported by the Natural Science Foundation of Anhui Province, China (No. 050450301).
文摘Complex nanometer particles WO3/TiO2 were prepared using a sol-gel process and characterized using XRD spectra. The photocatalytic activity of TiO2 can be increased by doping W^6+ with TiO2 because the doped W^6+ that entered into the crystal lattices of TiO2 led to the formation of defects in the crystal lattices of TiO2 and thereby improved the photocatalytic activity of TiO2.When WO3 doped in TiO2 exceeded 3%, the excess W^6+ did not enter into the crystal lattices of TiO2 but were uniformly dispersed in TiO2 or they covered the surface of TiO2, which reduced the effective illumination area of TiO2 and thereby lowered the photocatalytic activity of TiOE.The relationship among the composition of the catalyst, the amount of photocatalyst, the illumination time, and the decolorizing rate of methyl orange (MO) were discussed. The results show that the decolorizing rate of MO can reach 82.3% using WO3/TiO2 as the photocatalyst, with the composition of WO3/TiO2 -3:97, the mass of catalyst = 0.400 g, the initial concentration of MO = 20 mg/L, pH = 6.5, and the illumina- tion time = 7 h.
文摘We perform a three-dimensional numerical simulation based on a one-step chemical reaction model to investigate changes in the mode of H2-Air detonation wave propagation from rotating detonation wave (RDW) mode to standing detonation wave mode. The physical characteristics of an RDW with injection velocity of 500 m/s are analyzed to investigate the physical mechanisms involved. We find that with increasing injection velocity, the detonation wave gradually changes from perpendicular to the head wall to parallel to the head wall. When the injection velocity exceeds the Chapman-Jouguet velocity VCJ (about 1984 m/s), the detonation wave changes orientation to become perpendicular to the fuel injection direction, and the rotating mode changes accordingly to a standing mode. Finally, the plane detonation characteristic triple-wave structures can be found from the standing mode.
基金the project of the Ministry of Education,Youth and Sports of the Czech Republic No.MSM 0021627501
文摘The friction sensitivity(FS) of five linear and eight cyclic nitramines has been determined.Arrhenius parameters of non-autocatalyzed thermal decomposition of these nitramines were used for comparison of the FS values with thermal reactivity.Generally,increasing values of activation energies of non-autocatalyzed decomposition of the studied nitramines are connected with decreasing FS values.A similar trend was found in the relation between FS and hypothetical initiation temperature for 5% conversion of the nitramines after 50 μs of their thermolysis,however,if in the given series of nitramines their initiation reactivity is predominantly determined by the energy content of their molecules and closer similarity of their molecular structures,then the above-mentioned trend may be opposite.The found relationships were used for prediction and verification of the activation energy of non-autocatalyzed thermal decomposition of 2,5-dinitro-2,5-diazahexane.
基金Sponsored by Young Fund Programs of Explosives&Propellants ( HYZ08010202-4)
文摘A fractal pore structure model of combustible cartridge cases was established by virtue of the fractal geometry. Pore structure information, such as backbone fractal dimension and pore fractal dimension, of four kinds of combustible cartridge case were obtained by mercury intrusion porosimetry (MIP) . The formation mechanism of fractal pore structure of combustible cartridge was studied. The results show that the backbone fractal dimension consists of the component and influenced by the component number and size of components; the pore percolation fractal dimension reflects the pore structures of components; and the fractal dimension of pore structure is positively relative to the tensile strength of combustible cartridge case.
文摘The complex of neodymium chloride lower hydrate with diethylammonium diethyldithiocarbamate (D-DDC) was synthesized conveniently in absolute alcohol and dry N_2 atmosphere. The title complex was identified as Et_2NH_2[Nd(S_2CNEt_2)_4] by chemical and elemental analyses and the bonding characteristics of which was characterized by IR. The enthalpies of solution of neodymium chloride hydrate and D-DDC in absolute alcohol at 298.15 K and the enthalpies change of liquid-phase reaction of formation for Et_2NH_2[Nd (S_2CNEt_2)_4] at different temperatures were determined by microcalorimetry. On the basis of experimental and calculated results, three thermodynamic parameters (the activation enthalpy, the activation entropy and the activation free energy), the rate constant and three kinetic parameters (the apparent activation energy, the pre-exponential constant and the reaction order) of liquid-phase reaction of formation were obtained. The enthalpy change of the solid-phase title reaction at 298.15 K was calculated by a thermochemical cycle.
文摘Ti-Mo getters have been fabricated via metal injection molding (MIM) using three kinds of Ti powders with different mean particle sizes of 46 μm,35 μm and 26 μm,respectively. The surface morphology,porosity,and hydrogen sorption properties of Ti-Mo getters formed by MIM using paraffin wax as a principal binder constituent were examined. It has been proven that the powder injection molding is a viable forming technique for porous Ti-Mo getters. The particle size of Ti powders and the powder loading influence...
基金Supported by the National Natural Science Foundation of China under Grant No 60476011.
文摘We establish a new model based on fractal theory and cubic spline interpolation to study the effective thermal conductivity of isotropic porous silica low-k materials. A 3D fractal model is introduced to describe the structure of the silica xerogel and silica hybrid materials (such as methylsilsesquioxane, MSQ). Combined with fractal structure, a more suitable medium approximation is developed to study the isotropic porous silica xerogel and MSQ materials. Cubic spline interpolation for fitting discrete predictions from the fractal model is used to obtain the continuous function of the effective thermal conductivity versus porosity. Compared with other common models, the effective thermal conductivity predicted by our model presents better agreement with the experimental data for all porosity. These results indicate that the proposed model is valid.
文摘The polyoxometalate complex (CPFX-HCl)(4)H5BW12O40-12H(2)O was prepared in aqueous solution for the first time, and characterized by elemental analysis, IR spectrum, and TG-DTG. The TG-DTG curves showed that its thermal decomposition was a four-step process consisting of the simultaneous collapse of Keggin anion. The intermediate and residue of the decomposition were identified by mean of TG-DTG, IR, and XRD technique. The non-isothermal kinetic data were analyzed by the Achar method and Coats-Redfern method. The apparent activation energy (E) and the pre-exponential factor (In A) of each decomposition were obtained. The most probable thermal decomposition reaction mechanisms were proposed by comparison of the kinetic parameters. The kinetic equation for both the second stage and the third stage can be expressed as d alpha/dt = Ae(-E/RT) -(1 - alpha)(2), and the fourth stage d alpha/dt = Ae(-E/RT) -(1 - alpha). And their mathematic expressions of the kinetic compensation effects of thermal decomposition reaction were also determined.
基金the project of the Ministry of Education,Youth and Sports of the Czech Republic No.MSM 0021627501
文摘The friction sensitivity(FS) of five aliphatic linear and eight cyclic nitramines has been determined and correlated with DFT B3LYP/6-31-G(d,p) // 6-311+G(d,p) positive(VS,max) and negative(VS,min) extremes of molecular surface electrostatic potentials VS(r).While there is an ambiguous relationship between the VS,max values and FS values,the decrease of FS is connected(more or less) with increase in VS,min values.
基金Sponsored by the National Natural Science Foundation of China (61106078)NUST Research Funding (2011ZDJH28)
文摘Based on the crystal engineering, six models of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine(HMX)/3-nitro-1,2,4-triazol-5-one(NTO) supramolecular explosive were designed. The probable formation of HMX/NTO supramolecular explosive was investigated by the molecular dynamic (MD) method. Interaction between oxygen atoms in HMX and hydrogen atoms in NTO or between hydrogen atoms in HMX and oxygen atoms in NTO were studied by the radial distribution function (RDF). It shows that there are strong hydrogen bonds and Van Der Waals forces between HMX and NTO, in which the hydrogen bonds between oxygen atoms in the NTO and hydrogen atoms in HMX are the main host-guest interactions. The distributions of bond length, bond angle and dihedral angle were simulated by MD. It shows that the structure of HMX is seriously distorted. The binding energies and X-ray powder diffraction (XRD) patterns were calculated on the basis of the final HMX/NTO supramolecular structures. The results show that the binding energies of six supramolecular models are E binding (1 1 1-) >E binding (1 0 0)>E binding (0 2 0)>E binding (random)>E binding (1 0 2-)>Ebinding (0 1 1), and the XRD patterns of six supramolecular models are quite different from pure HMX or NTO. Based on the investigation for growth morphology, binding energies and RDF, the model of HMX supercell substituted by NTO along the (1 1 1-) surface of HMX is easier to form.
基金Supported by the Knowledge Innovation Project of Chinese Academy of Sciences under Grant No KJCX2-SW-W26, and the National Natural Science Foundation of China under Grant Nos 90406017 and 10427402.
文摘Metal-tip/Pr0.7Ca0.3MnO3/Pt devices possess two types of I-V hysteresis: clockwise vs counter clockwise depending on the tip materials. The criteria for categorization of these two types of devices can be simply based on whether the Gibbs free energy of oxidation for the metal tip is lower or higher than that of PCMO, respectively. While the clockwise hysteresis can be attributed to electric field induced oxidation/reduction, the counter clockwise hysteresis can be explained by oxygen vacancy migration in an electrical field. Alternating-current conductance spectra also reveal distinct hopping barriers between these two categories of devices at high resistive states.
文摘The oxidative properties and characterization of CuO, CeO 2 and CuO/CeO 2 cata lysts were examined by means of a CO micro-reactor GC system, TPR, XPS and X-r ay diffraction Rietveld methods. The results show that either CuO or CeO 2 ac tivity is quite low for CO oxidation. However, when CuO and CeO 2 are mixed, the oxidative activity of the catalyst increases significantly, probably owing to the valency status of copper species (Cu 2+ and Cu+) on the CeO 2 surfa ce, the dispersion and reducibility. XPS surface analysis shows that CuO loading is very important in forming of either Cu 2+ or Cu+. Rietveld analysis s hows that some CuO, which has smaller ion radius than Ce 4+, enters the Ce O 2 lattice after CuO and CeO 2 are mixed. When the CuO loading reaches 5.0%, the size of CuO crystals is a minimum (6.1 nm) and the micro-strain value i s a maximum (2.86×10 -3), resulting in high surface energy and the best ac tivity for CO oxidation.
文摘Different GAP-based CSRP samples with different binder contents were prepared and compared with that of conventional HTPB propellant.The crosslinker mixture of trimethylol propane(TMP)and butane diol(BD)was used in the GAP matrix beside the addition of dibutyltin dilaurate(DBTDL)to ensure cross-linking and curing completion of the prepared CSRP.The viscosity and hardness of all prepared formulations were monitored continuously during the curing process.The mechanical characteristics of cured samples were tested.The burning rate at operating pressure and specific impulse were measured,while the theoretical specific impulse(I sp)was calculated by ICT code and compared with the measured results.According to the results,DOA was found to be a suitable plasticizer for GAP when using in propellant.The mechanical properties of CSRP with 25%GAP can produce the optimum mechanical behavior,which is close to that of HTPB-based CSRP.The optimum GAP-based formulation is one candidate to replace the traditional HTPB-based CSRP with high burning rate for some applications.