Based on the full optimized molecular geometric structures via B3LYP/6-311＋G（2d,p） method, a new gem-dinitro energetic plasticizer, bis（2,2-dinitropropyl ethylene）formal was investigated in order to search for hi...Based on the full optimized molecular geometric structures via B3LYP/6-311＋G（2d,p） method, a new gem-dinitro energetic plasticizer, bis（2,2-dinitropropyl ethylene）formal was investigated in order to search for high-performance energetic material. IR spectrum, heat of formation, and detonation performances were predicted. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the title compound. The results show that the four N-NO2 BDEs are nearly equal to the values of 164.38 kJ/mol, which shows that the title compound is a stable compound. The detonation velocity and pressure were evaluated by using Kamlet-Jacobs equations based on the theoretical density and condensed HOF. The crystal structure obtained by molec-ular mechanics belongs to P21 space group, with lattice parameters Z=2, a=13.8017 A, b=13.4072 A, c=5.5635 A.展开更多
The present work establishes a systematic approach based on the application of in-situ Fourier transform infrared spectroscopy （FTIR） for the investigation of the crystal structure, thermal stability, redox behavior...The present work establishes a systematic approach based on the application of in-situ Fourier transform infrared spectroscopy （FTIR） for the investigation of the crystal structure, thermal stability, redox behavior （temperature-programmed reduction/temperatureprogrammed re-oxidation） as well as the catalytic properties of Co3O4 thin films. The syntheses of Co3O4 were achieved by chemical vapor deposition in the temperature range of 400-500℃. The structure analysis of the as-prepared material revealed the presence of two prominent IR bands peaking at 544 cm-1 （υ1） and 650 cm-1 （υ2） respectively, which originate from the stretching vibrations of the Co-O bond, characteristic of the Co3O4 spinel. The lattice stability limit of Co3O4 was estimated to be above 650℃. The redox properties of the spinel structure were determined by integrating the area under the emission bands υ1 and υ2 as a function of the temperature. Moreover, Co3O4 has been successfully tested as a catalyst towards complete oxidation of dimethyl ether below 340 ℃. The exhaust gas analysis during the catalytic process by in situ absorption FTIR revealed that only CO2 and H2O were detected as the final products in the catalytic reaction. The redox behavior suggests that the oxidation of dimethyl ether over Co3O4 follows a Mars-van Krevelen type mechanism. The comprehensive application of in situ FTIR provides a novel diagnostic tool in characterization and performance test of catalysts.展开更多
We compute the mass and temperature of third order Lovelock black holes with negative Gauss-Bonnet coefficient a2 〈 0 in anti-de Sitter space and perform the stability analysis of topological black holes. When k = -1...We compute the mass and temperature of third order Lovelock black holes with negative Gauss-Bonnet coefficient a2 〈 0 in anti-de Sitter space and perform the stability analysis of topological black holes. When k = -1, the third order Lovelock black holes are thermodynamically stable for the whole range r＋. When k = 1, we found that the black hole has an intermediate unstable phase for D = 7. In eight dimensional spacetimes, however, a new phase of thermodynamically unstable small black holes appears if the coefficient a is under a critical value. For D ≥ 9, black holes have similar the distributions of thermodynamically stable regions to the case where the coefficient ＆ is under a critical value for D = 8. It is worth to mention that all the thermodynamic and conserved quantities of the black holes with fiat horizon do not depend on the Loveloek coefficients and are the same as those of black holes in general gravity.展开更多
This study investigated the effect of heat treatment combined with acid and alkali on the angiotensin-I- converting enzyme （ACE） inhibitory activity of peptides derived from bovine casein. The free amino group conte...This study investigated the effect of heat treatment combined with acid and alkali on the angiotensin-I- converting enzyme （ACE） inhibitory activity of peptides derived from bovine casein. The free amino group content, color, and cytotoxicity of the peptides were measured under different conditions. When heated at 100 ℃ in the pH range from 9.0 to 12.0, ACE inhibitory activity was reduced and the appearance of the peptides was significantly darkened. After thermal treatment in the presence of acid and alkali, the free amino group content of ACE inhibitory peptides decreased markedly. High temperature and prolonged heating also resulted in the loss of ACE inhibitory activity, the loss of free amino groups, and the darker coloration of bovine casein-derived peptides. However, ACE inhibitory peptides, within a concentration range of from 0.01 to 0.2 mg/ml, showed no cytotoxicity to Caco-2 and ECV-304 cell lines after heat treatment. This indicated that high temperature and alkaline heat treatment impaired the stability of bovine casein-derived ACE inhibitory peptides.展开更多
Considering the relationship between the black hole horizon and the cosmological horizon, the thermodynamic property of the charged de Sitter spacetime is discussed. The effective temperature and energy are obtained. ...Considering the relationship between the black hole horizon and the cosmological horizon, the thermodynamic property of the charged de Sitter spacetime is discussed. The effective temperature and energy are obtained. The result shows that the upper limit of the energy in the charged de Sitter spacetime is just the energy in the pure de Sitter spacetime. The thermal capacity of the charged de Sitter spacetime is positive, thus satisfying the thermal stability condition.展开更多
The steady and unsteady leakage flow and heat transfer characteristics of the rotor blade squealer tip were conducted by solving Reynolds-Averaged Navier-Stokes （RANS） equations with k-co turbulence model. The first...The steady and unsteady leakage flow and heat transfer characteristics of the rotor blade squealer tip were conducted by solving Reynolds-Averaged Navier-Stokes （RANS） equations with k-co turbulence model. The first stage of GE-E3 engine with squealer tip in the rotor was adopted to perform this work. The tip clearance was set to be 1% of the rotor blade height and the groove depth was specified as 2% of the span. The results showed that there were two vortexes in the tip gap which determined the local heat transfer characteristics. In the steady flow field, the high heat transfer coefficient existed at several positions. In the unsteady case, the flow field in the squealer tip was mainly influenced by the upstream wake and the interaction of the blades potential fields. These unsteady effects induced the periodic variation of the leakage flow and the vortexes, which resulted in the fluctuation of the heat transfer coefficient. The largest fluctuation of the heat transfer coefficient on the surface of the groove bottom exceeded 16% of the averaged value on the surface of the squealer tip.展开更多
基金ACKNOWLEDGMENTS This work was supported by the Key Project of Henan Educational Committee （No.12A140004）, China Postdoctoral Science Foundation （No.2013M531361）, and Jiangsu Planned Projects for Postdoctoral Research Funds （No.1201015B）.
文摘Based on the full optimized molecular geometric structures via B3LYP/6-311＋G（2d,p） method, a new gem-dinitro energetic plasticizer, bis（2,2-dinitropropyl ethylene）formal was investigated in order to search for high-performance energetic material. IR spectrum, heat of formation, and detonation performances were predicted. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the title compound. The results show that the four N-NO2 BDEs are nearly equal to the values of 164.38 kJ/mol, which shows that the title compound is a stable compound. The detonation velocity and pressure were evaluated by using Kamlet-Jacobs equations based on the theoretical density and condensed HOF. The crystal structure obtained by molec-ular mechanics belongs to P21 space group, with lattice parameters Z=2, a=13.8017 A, b=13.4072 A, c=5.5635 A.
文摘The present work establishes a systematic approach based on the application of in-situ Fourier transform infrared spectroscopy （FTIR） for the investigation of the crystal structure, thermal stability, redox behavior （temperature-programmed reduction/temperatureprogrammed re-oxidation） as well as the catalytic properties of Co3O4 thin films. The syntheses of Co3O4 were achieved by chemical vapor deposition in the temperature range of 400-500℃. The structure analysis of the as-prepared material revealed the presence of two prominent IR bands peaking at 544 cm-1 （υ1） and 650 cm-1 （υ2） respectively, which originate from the stretching vibrations of the Co-O bond, characteristic of the Co3O4 spinel. The lattice stability limit of Co3O4 was estimated to be above 650℃. The redox properties of the spinel structure were determined by integrating the area under the emission bands υ1 and υ2 as a function of the temperature. Moreover, Co3O4 has been successfully tested as a catalyst towards complete oxidation of dimethyl ether below 340 ℃. The exhaust gas analysis during the catalytic process by in situ absorption FTIR revealed that only CO2 and H2O were detected as the final products in the catalytic reaction. The redox behavior suggests that the oxidation of dimethyl ether over Co3O4 follows a Mars-van Krevelen type mechanism. The comprehensive application of in situ FTIR provides a novel diagnostic tool in characterization and performance test of catalysts.
文摘We compute the mass and temperature of third order Lovelock black holes with negative Gauss-Bonnet coefficient a2 〈 0 in anti-de Sitter space and perform the stability analysis of topological black holes. When k = -1, the third order Lovelock black holes are thermodynamically stable for the whole range r＋. When k = 1, we found that the black hole has an intermediate unstable phase for D = 7. In eight dimensional spacetimes, however, a new phase of thermodynamically unstable small black holes appears if the coefficient a is under a critical value. For D ≥ 9, black holes have similar the distributions of thermodynamically stable regions to the case where the coefficient ＆ is under a critical value for D = 8. It is worth to mention that all the thermodynamic and conserved quantities of the black holes with fiat horizon do not depend on the Loveloek coefficients and are the same as those of black holes in general gravity.
基金supported by the Innovative Research Team of Higher Education of Heilongjiang Province(No.2010td11)the National Natural Science Foundation of China(No.31000801)+1 种基金the National Key Technology R&D Program of China during the 12th Five-Year Plan Period(No.2013BAD18B06)the 2009 Doctoral Science Research of Northeast Agricultural University,China
文摘This study investigated the effect of heat treatment combined with acid and alkali on the angiotensin-I- converting enzyme （ACE） inhibitory activity of peptides derived from bovine casein. The free amino group content, color, and cytotoxicity of the peptides were measured under different conditions. When heated at 100 ℃ in the pH range from 9.0 to 12.0, ACE inhibitory activity was reduced and the appearance of the peptides was significantly darkened. After thermal treatment in the presence of acid and alkali, the free amino group content of ACE inhibitory peptides decreased markedly. High temperature and prolonged heating also resulted in the loss of ACE inhibitory activity, the loss of free amino groups, and the darker coloration of bovine casein-derived peptides. However, ACE inhibitory peptides, within a concentration range of from 0.01 to 0.2 mg/ml, showed no cytotoxicity to Caco-2 and ECV-304 cell lines after heat treatment. This indicated that high temperature and alkaline heat treatment impaired the stability of bovine casein-derived ACE inhibitory peptides.
基金supported by the National Natural Science Foundation of China (Grant No. 11075098)the Doctoral Sustentation Fund of Shanxi Datong University of China
文摘Considering the relationship between the black hole horizon and the cosmological horizon, the thermodynamic property of the charged de Sitter spacetime is discussed. The effective temperature and energy are obtained. The result shows that the upper limit of the energy in the charged de Sitter spacetime is just the energy in the pure de Sitter spacetime. The thermal capacity of the charged de Sitter spacetime is positive, thus satisfying the thermal stability condition.
基金supported by China National Basic Research Program (973 Program),Project No.2007 CB 210107
文摘The steady and unsteady leakage flow and heat transfer characteristics of the rotor blade squealer tip were conducted by solving Reynolds-Averaged Navier-Stokes （RANS） equations with k-co turbulence model. The first stage of GE-E3 engine with squealer tip in the rotor was adopted to perform this work. The tip clearance was set to be 1% of the rotor blade height and the groove depth was specified as 2% of the span. The results showed that there were two vortexes in the tip gap which determined the local heat transfer characteristics. In the steady flow field, the high heat transfer coefficient existed at several positions. In the unsteady case, the flow field in the squealer tip was mainly influenced by the upstream wake and the interaction of the blades potential fields. These unsteady effects induced the periodic variation of the leakage flow and the vortexes, which resulted in the fluctuation of the heat transfer coefficient. The largest fluctuation of the heat transfer coefficient on the surface of the groove bottom exceeded 16% of the averaged value on the surface of the squealer tip.
