The distributions of local structural units of calcium silicate melts were quantified by means of classical molecular dynamics simulation and a newly constructed structural thermodynamic model. The distribution of fiv...The distributions of local structural units of calcium silicate melts were quantified by means of classical molecular dynamics simulation and a newly constructed structural thermodynamic model. The distribution of five kinds of Si-O tetrahedra Qi from these two methods was compared with each other and also with the experimental Raman spectra, an excellent agreement was achieved. These not only displayed the panorama distribution of microstructural units in the whole composition range, but also proved that the thermodynamic model is suitable for the utilization as the subsequent application model of spectral experiments for the thermodynamic calculation. Meanwhile, the five refined regions mastered by different disproportionating reactions were obtained. Finally, the distributions of two kinds of connections between Qi were obtained, denoted as Qi-Ca-Qj and Qi-[Ob]-Qj, from the thermodynamic model, and a theoretical verification was given that the dominant connections for any composition are equivalent connections.展开更多
This paper presents the combined influence of heat-loss and radiation on the pyrolysis of biomass particles by considering the structure of one-dimensional, laminar and steady state flame propagation in uniformly prem...This paper presents the combined influence of heat-loss and radiation on the pyrolysis of biomass particles by considering the structure of one-dimensional, laminar and steady state flame propagation in uniformly premixed wood particles. The assumed flame structure consists of a broad preheat-vaporization zone where the rate of gas-phase chemical reaction is small, a thin reaction zone composed of three regions: gas, tar and char combustion where convection and the vaporization rate of the fuel particles are small, and a broad convection zone. The analysis is performed in the asymptotic limit, where the value of the characteristic Zeldovich number is large and the equivalence ratio is larger than unity(i.e.u≥1). The principal attention is made on the determination of a non-linear burning velocity correlation. Consequently, the impacts of radiation, heat loss and particle size as the determining factors on the flame temperature and burning velocity of biomass particles are declared in this research.展开更多
Solidification structure is critical in the control of the mechanical properties and quality during the continuous casting process. The thermo-physical properties of 13 Cr steel added some rare metals, such as Mo, V, ...Solidification structure is critical in the control of the mechanical properties and quality during the continuous casting process. The thermo-physical properties of 13 Cr steel added some rare metals, such as Mo, V, Nb, are measured to better understand the solidification structure of 13 Cr bloom. A computational model using CA-FE(cellular automation-finite element) method coupled with heat transfer model is developed to describe the solidification structure in continuous casting process. It is found that the calculated solidification structure is in good agreement with the observed data. The influence of casting speed and superheat on the solidification structure of the bloom is studied in detail. In order to obtain more equiaxed crystal ratio and low degree of the segregation in the bloom, the optimized casting speed 0.6 m/min and superheat less than 25 °C are determined for the caster. Using the optimized manufacturing parameters, these samples are 60% with the equiaxed zone ratio of 8%–10% and below the degree of segregation 1.05.展开更多
The thermostability of three sulfur oxygenase reductases (SORs) was investigated from thermoacidophilic achaea Acidianus tengchongensis (SORAT) and Sulfolobus tokodaii (SORsT) as well as the moderately thermophi...The thermostability of three sulfur oxygenase reductases (SORs) was investigated from thermoacidophilic achaea Acidianus tengchongensis (SORAT) and Sulfolobus tokodaii (SORsT) as well as the moderately thermophilic bacterium Acidithiobacillus sp. SM-1 (SORsB). The optimal temperatures for catalyzing sulfur oxidation were 80 ℃ (SORAT), 85 ℃ (SORsT), and 70 ℃ (SORsB), respectively. The half-lives of the three SORs at their optimal catalytic conditions were 100 min (SORAT), 58 min (SORsT), and 37 min (SORsB). In order to reveal the structural basis of the thermostability of these SORs, three-dimensional structural models of them were generated by homology modeling using the previously reported high-resolution X-ray structure of SORAA (from Acidianus ambivalens) as a template. The results suggest that thermostability was dependent on: (a) high number of the charged amino acid glutamic acid and the flexible amino acid proline, (b) low number of the therraolabile amino acid glutamine, (c) increased number of ion pairs, (d) decreased ratio of hydrophobie accessible solvent surface area (ASA) to charged ASA, and (e) increased volumes of the cavity. The number of cavities and the number of hydrogen bonds did not signifieantly affect the thermostability of SORs, whereas the cavity volumes increased as the thermal stability increased.展开更多
Numerical simulation on conjugate heat transfer of an internal cooled turbine vane was carried out. Numerical techniques employed included the third-order accuracy TVD scheme, multi-block structured grids and the tech...Numerical simulation on conjugate heat transfer of an internal cooled turbine vane was carried out. Numerical techniques employed included the third-order accuracy TVD scheme, multi-block structured grids and the technique of arbitrary curved mesh. Comparison between results of commercial CFD codes with several turbulence models and those of this code shows that it is incorrect of commercial CFD codes to predict the thermal boundary layer with traditional turbulence models, and that turbulence models considering transition lead to more accurate heat transfer in thermal boundary layer with some reliability and deficiency yet. The results of this code are close to those of CFX with transition model.展开更多
During subduction processes, slabs continuously have heat exchange with the ambient mantle, including both conduction and advection effects. The evolution of slab thermal structure is one of the dominant factors in co...During subduction processes, slabs continuously have heat exchange with the ambient mantle, including both conduction and advection effects. The evolution of slab thermal structure is one of the dominant factors in controlling physical and chemical property changes in subduction zones. It also affects our understanding of many key geological processes, such as mineral dehydration, rock partial melting, arc volcanism, and seismic activities in subduction zones. There are mainly two ways for studying thermal structure of subduction zones with geodynamic models: analytical model and numerical model. Analytical model provides insights into the most dominant controlling physical parameters on the thermal structure, such as slab age, velocity and dip angle, shear stress and thermal conductivity, etc. Numerical model can further deal with more complicated environments, such as viscosity change in the mantle wedge, coupling process between slabs and the ambient mantle, and incorporation of petrology and mineralogy. When applying geodynamic modeling results to specific subduction zones on the Earth, there are many factors which may complicate the process, therefore it is difficult to precisely constrain the thermal structure of subduction zones. With the development of new quantitative methods in geophysics and geochemistry, we may obtain more observational constraints for thermal structure of subduction zones, thus providing more reasonable explanations for geological processes related to subduction zones.展开更多
Using the latest version of SAMIL (Spectral Atmosphere Model of IAP LASG) developed by LASG/IAP,we evaluate the model performance by analyzing rainfall,latent heating structure and other basic fields with two differen...Using the latest version of SAMIL (Spectral Atmosphere Model of IAP LASG) developed by LASG/IAP,we evaluate the model performance by analyzing rainfall,latent heating structure and other basic fields with two different convective parameterization schemes:Manabe Scheme and Tiedtke Scheme.Results show that convective precipitation is excessively overestimated while stratiform precipitation is underestimated by Tiedtke scheme,thus causing less stratiform rainfall proportion compared with TRMM observation.In contrast,for Manabe scheme stratiform rainfall belt is well simulated,although precipitation center near Bay of Bengal (BOB) spreads eastward and northward associated with unrealistic strong rainfall downstream of the Tibet Plateau.The simulated latent heating structure indicates that Tiedtke scheme has an advantage over Manabe scheme,as the maximum convective latent heating near middle of troposphere is well reproduced.Moreover,the stratiform latent heating structure is also well simulated by Tiedtke scheme with warming above freezing level and cooling beneath freezing level.As for Manabe scheme,the simulated maximum convective latent heating lies near 700 hPa,lower than the observation.Additionally,the warming due to stratiform latent heating extends to the whole vertical levels,which is unreasonable compared with observation.Taylor diagram further indicates that Tiedtke scheme is superior to Manabe scheme as higher correlation between model output and observation data is achieved when Tiedtke scheme is employed,especially for the temperature near 200 hPa.Finally,a possible explanation is addressed for the unrealistic stratiform rainfall by Tiedtke scheme,which is due to the neglect of detrained cloud water and cloud ice during convective process.The speculation is verified through an established sensitivity experiment.展开更多
A simplified one-dimensional transient model for biomass pyrolysis in a fixed bed cylindrical reactor has been formulated and experiments have been carded out to verify the calculation results regarding temperature di...A simplified one-dimensional transient model for biomass pyrolysis in a fixed bed cylindrical reactor has been formulated and experiments have been carded out to verify the calculation results regarding temperature distribu- tion. The mathematical model accounts for mass, momentum and heat transfer, including moisture evaporation and convection of pyrolysis gases. Numerical simulation has allowed to predict temperature and heat flux distri- bution, and the dynamics of feedstock devolatilization. Special attention has been devoted to the analysis of the effect of biomass moisture content on the pyrolysis process. The model of moisture vaporization in biomass bed was proposed, which included structure of surface of biomass particles. Assuming that vaporization occurs on the border of the dry and wet areas of the bed, the flux of water vaporization depends on the specific surface area of the particles and overall heat flux.展开更多
基金Project(2012CB722805)supported by the National Basic Research Program of ChinaProjects(50504010,50974083,51174131,51374141)supported by the National Natural Science Foundation of China+1 种基金Project(50774112)supported by the Joint Fund of NSFC and Baosteel,ChinaProject(07QA4021)supported by the Shanghai"Phosphor"Science Foundation,China
文摘The distributions of local structural units of calcium silicate melts were quantified by means of classical molecular dynamics simulation and a newly constructed structural thermodynamic model. The distribution of five kinds of Si-O tetrahedra Qi from these two methods was compared with each other and also with the experimental Raman spectra, an excellent agreement was achieved. These not only displayed the panorama distribution of microstructural units in the whole composition range, but also proved that the thermodynamic model is suitable for the utilization as the subsequent application model of spectral experiments for the thermodynamic calculation. Meanwhile, the five refined regions mastered by different disproportionating reactions were obtained. Finally, the distributions of two kinds of connections between Qi were obtained, denoted as Qi-Ca-Qj and Qi-[Ob]-Qj, from the thermodynamic model, and a theoretical verification was given that the dominant connections for any composition are equivalent connections.
文摘This paper presents the combined influence of heat-loss and radiation on the pyrolysis of biomass particles by considering the structure of one-dimensional, laminar and steady state flame propagation in uniformly premixed wood particles. The assumed flame structure consists of a broad preheat-vaporization zone where the rate of gas-phase chemical reaction is small, a thin reaction zone composed of three regions: gas, tar and char combustion where convection and the vaporization rate of the fuel particles are small, and a broad convection zone. The analysis is performed in the asymptotic limit, where the value of the characteristic Zeldovich number is large and the equivalence ratio is larger than unity(i.e.u≥1). The principal attention is made on the determination of a non-linear burning velocity correlation. Consequently, the impacts of radiation, heat loss and particle size as the determining factors on the flame temperature and burning velocity of biomass particles are declared in this research.
基金Projects(51274057,51474057) supported by the National Natural Science Foundation of ChinaProject(2012AA03A508) supported by the High-tech Research and Development Program of China
文摘Solidification structure is critical in the control of the mechanical properties and quality during the continuous casting process. The thermo-physical properties of 13 Cr steel added some rare metals, such as Mo, V, Nb, are measured to better understand the solidification structure of 13 Cr bloom. A computational model using CA-FE(cellular automation-finite element) method coupled with heat transfer model is developed to describe the solidification structure in continuous casting process. It is found that the calculated solidification structure is in good agreement with the observed data. The influence of casting speed and superheat on the solidification structure of the bloom is studied in detail. In order to obtain more equiaxed crystal ratio and low degree of the segregation in the bloom, the optimized casting speed 0.6 m/min and superheat less than 25 °C are determined for the caster. Using the optimized manufacturing parameters, these samples are 60% with the equiaxed zone ratio of 8%–10% and below the degree of segregation 1.05.
基金Supported by the National Natural Science Foundation of China (31070042,30870039,30921065)partially by Open Funding Project of the National Key Laboratory of Biochemical Engineering,China (2010KF-2)
文摘The thermostability of three sulfur oxygenase reductases (SORs) was investigated from thermoacidophilic achaea Acidianus tengchongensis (SORAT) and Sulfolobus tokodaii (SORsT) as well as the moderately thermophilic bacterium Acidithiobacillus sp. SM-1 (SORsB). The optimal temperatures for catalyzing sulfur oxidation were 80 ℃ (SORAT), 85 ℃ (SORsT), and 70 ℃ (SORsB), respectively. The half-lives of the three SORs at their optimal catalytic conditions were 100 min (SORAT), 58 min (SORsT), and 37 min (SORsB). In order to reveal the structural basis of the thermostability of these SORs, three-dimensional structural models of them were generated by homology modeling using the previously reported high-resolution X-ray structure of SORAA (from Acidianus ambivalens) as a template. The results suggest that thermostability was dependent on: (a) high number of the charged amino acid glutamic acid and the flexible amino acid proline, (b) low number of the therraolabile amino acid glutamine, (c) increased number of ion pairs, (d) decreased ratio of hydrophobie accessible solvent surface area (ASA) to charged ASA, and (e) increased volumes of the cavity. The number of cavities and the number of hydrogen bonds did not signifieantly affect the thermostability of SORs, whereas the cavity volumes increased as the thermal stability increased.
基金Sponsored by the National Natural Science Foundation of China (Grant No.5047028 and 50476017)
文摘Numerical simulation on conjugate heat transfer of an internal cooled turbine vane was carried out. Numerical techniques employed included the third-order accuracy TVD scheme, multi-block structured grids and the technique of arbitrary curved mesh. Comparison between results of commercial CFD codes with several turbulence models and those of this code shows that it is incorrect of commercial CFD codes to predict the thermal boundary layer with traditional turbulence models, and that turbulence models considering transition lead to more accurate heat transfer in thermal boundary layer with some reliability and deficiency yet. The results of this code are close to those of CFX with transition model.
基金supported by the National Basic Research Program of China(Grant No.2015CB856106)
文摘During subduction processes, slabs continuously have heat exchange with the ambient mantle, including both conduction and advection effects. The evolution of slab thermal structure is one of the dominant factors in controlling physical and chemical property changes in subduction zones. It also affects our understanding of many key geological processes, such as mineral dehydration, rock partial melting, arc volcanism, and seismic activities in subduction zones. There are mainly two ways for studying thermal structure of subduction zones with geodynamic models: analytical model and numerical model. Analytical model provides insights into the most dominant controlling physical parameters on the thermal structure, such as slab age, velocity and dip angle, shear stress and thermal conductivity, etc. Numerical model can further deal with more complicated environments, such as viscosity change in the mantle wedge, coupling process between slabs and the ambient mantle, and incorporation of petrology and mineralogy. When applying geodynamic modeling results to specific subduction zones on the Earth, there are many factors which may complicate the process, therefore it is difficult to precisely constrain the thermal structure of subduction zones. With the development of new quantitative methods in geophysics and geochemistry, we may obtain more observational constraints for thermal structure of subduction zones, thus providing more reasonable explanations for geological processes related to subduction zones.
基金supported by Special Fund Project of the Ministry of Science and Technology (Grant No. GYHY200806006)Knowledge Innovation Program of the Chinese Academy of Sciences (Grant No. KZCX2-YW-Q11-01)National Natural Science Foundation of China (Grant Nos. 40925015,40875034 and 40821092)
文摘Using the latest version of SAMIL (Spectral Atmosphere Model of IAP LASG) developed by LASG/IAP,we evaluate the model performance by analyzing rainfall,latent heating structure and other basic fields with two different convective parameterization schemes:Manabe Scheme and Tiedtke Scheme.Results show that convective precipitation is excessively overestimated while stratiform precipitation is underestimated by Tiedtke scheme,thus causing less stratiform rainfall proportion compared with TRMM observation.In contrast,for Manabe scheme stratiform rainfall belt is well simulated,although precipitation center near Bay of Bengal (BOB) spreads eastward and northward associated with unrealistic strong rainfall downstream of the Tibet Plateau.The simulated latent heating structure indicates that Tiedtke scheme has an advantage over Manabe scheme,as the maximum convective latent heating near middle of troposphere is well reproduced.Moreover,the stratiform latent heating structure is also well simulated by Tiedtke scheme with warming above freezing level and cooling beneath freezing level.As for Manabe scheme,the simulated maximum convective latent heating lies near 700 hPa,lower than the observation.Additionally,the warming due to stratiform latent heating extends to the whole vertical levels,which is unreasonable compared with observation.Taylor diagram further indicates that Tiedtke scheme is superior to Manabe scheme as higher correlation between model output and observation data is achieved when Tiedtke scheme is employed,especially for the temperature near 200 hPa.Finally,a possible explanation is addressed for the unrealistic stratiform rainfall by Tiedtke scheme,which is due to the neglect of detrained cloud water and cloud ice during convective process.The speculation is verified through an established sensitivity experiment.
基金partially financed from the project "Agro-energy complexes as an example of dispersed co- generation based on local renewable energy sources" (POIG.01.01.02-00-016/08) within the framework of Programme "Innowacyjna Gospodarka 2007-2013"
文摘A simplified one-dimensional transient model for biomass pyrolysis in a fixed bed cylindrical reactor has been formulated and experiments have been carded out to verify the calculation results regarding temperature distribu- tion. The mathematical model accounts for mass, momentum and heat transfer, including moisture evaporation and convection of pyrolysis gases. Numerical simulation has allowed to predict temperature and heat flux distri- bution, and the dynamics of feedstock devolatilization. Special attention has been devoted to the analysis of the effect of biomass moisture content on the pyrolysis process. The model of moisture vaporization in biomass bed was proposed, which included structure of surface of biomass particles. Assuming that vaporization occurs on the border of the dry and wet areas of the bed, the flux of water vaporization depends on the specific surface area of the particles and overall heat flux.