Methods and procedures of three-dimensional (3D) characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional imag...Methods and procedures of three-dimensional (3D) characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional images of specimens with single particle size of 1-2, 2-3, 3-4, 4-5, 5-6, 6-7, 7-8, 8-9, 9-10 ram. Based on the in-house developed 3D image analysis programs using Matlab, the volume porosity, pore size distribution and degree of connectivity were calculated and analyzed in detail. The results indicate that the volume porosity, the mean diameter of pores and the effective pore size (d50) increase with the increasing of particle size. Lognormal distribution or Gauss distribution is mostly suitable to model the pore size distribution. The degree of connectivity investigated on the basis of cluster-labeling algorithm also increases with increasing the particle size approximately.展开更多
The Xiangshan deposit in Jiangxi province is one of the most important uranium deposits in China. The aim of this study is to achieve a better understanding of mineralization in the Xiangshan deposit through numerical...The Xiangshan deposit in Jiangxi province is one of the most important uranium deposits in China. The aim of this study is to achieve a better understanding of mineralization in the Xiangshan deposit through numerical simulation. In order to find the most favorable locations of mineralization and to help further mineral exploration, a coupling deforma- tion and fluid flow model has been established to describe the mineralization process. In this model, the simulation re- constructs the strata deformations under fields of compressive stress and thrust structure on the hanging wall of the Zou-Shi fault. Compared with practical information, the simulation results are consistent with the No. 51 exploration section of the western Xiangshan. In addition, on the basis of geological information provided by previous investigators, the model simulates the flow process of fluids under compressive stress fields. The result suggests that many tensional areas are formed, which can help the fluid flowing upward from deeper parts. The fluid is easy to concentrate on the breccia fractured zone between two volcanic layers, especially on the intersection parts with faults, resulting in the for- mation of favourable locations of mineralization. In addition, the model is significant in guiding the exploration of ura- nium deposits in the western Xiangshan and provides clues for further exploration of deposits.展开更多
For deposit body medium, the internal structural properties may be the controlling factors for the strength of the material and the mechanical response. Based on the results of soil-rock meso-statistics using digital ...For deposit body medium, the internal structural properties may be the controlling factors for the strength of the material and the mechanical response. Based on the results of soil-rock meso-statistics using digital imaging, a simulated annealing algorithm is adopted to expand the meso-structural features of deposit bodies in 3D. The construction of the 3D meso-structure of a deposit body is achieved, and then the particle flow analysis program PFC3 D is used to simulate the mechanical properties of the deposit body. It is shown that with a combination of the simulated annealing algorithm and the statistical feature functions, the randomness and heterogeneity of the rock distribution in the 3D inner structure of deposit body medium can be realized, and the reconstructed structural features of the deposit medium can match the features of the digital images well. The spatial utilizations and the compacting effects of the body-centered cubic, hexagonal close and face-centered packing models are high, so these structures can be applied in the simulations of the deposit structures. However, the shear features of the deposit medium vary depending on the different model constructive modes. Rocks, which are the backbone of the deposit, are the factors that determine the shear strength and deformation modulus of the deposit body. The modeling method proposed is useful for the construction of 3D meso-scope models from 2D meso-scope statistics and can be used for studying the mechanical properties of mixed media, such as deposit bodies.展开更多
The tellurium-based glasses TeO2, 85TeOz-15WO3, 85TeO2-10WO3-5Sm203, 77TeO2-20WO3-3Y203, 77TeO2-20WO3-3La203, 65TeO2-33WO3-2Er203 and 49TeO2-29.4WO3-19.6PbO-2Er203 have been prepared by melt quenching technique. Densi...The tellurium-based glasses TeO2, 85TeOz-15WO3, 85TeO2-10WO3-5Sm203, 77TeO2-20WO3-3Y203, 77TeO2-20WO3-3La203, 65TeO2-33WO3-2Er203 and 49TeO2-29.4WO3-19.6PbO-2Er203 have been prepared by melt quenching technique. Density and molar volume have been measured for the present glasses. Optical absorption studies are carried out on the glass system in the wavelength range of 200-900 nm. The compositions depend on different physical parameters such as density, molar volume and oxygen packing density will be discussed. Also, molar refraction (RM), calculated refractive index (n), metallization criterion (M), electronic polarizability of the oxide ion (to2"(Eopt) and optical basicity A^opt have been determined.展开更多
The crystal structure of [Ni(C5H2N2O4)(2, 2?bipy)(H2O)2]?H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) ? a = 84.771(1),...The crystal structure of [Ni(C5H2N2O4)(2, 2?bipy)(H2O)2]?H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) ? a = 84.771(1), b = 77.375(2), g = 68.993(2)? C15H18N4O8Ni, Mr = 440.7, V = 876.16(5) 3, Z = 2, Dc = 1.672 g/cm3, F(000) = 456, m(MoKa) = 1.162 mm-1, the final R = 0.0464 and wR = 0.1055 for 3026 observed reflections with I > 2s(I). In the title compound, the nickel ion is coordinated by a nitrogen atom and an oxygen atom from the orotate ligand, two nitrogen atoms from 2, 2?bipy and two oxygen atoms from the coordinated water molecules in a distorted octahedral geometry. The presence of intermolecular hydrogen bonding and p-p stacking interaction of aromatic rings from 2, 2?bipy results in a 3D structure.展开更多
In order to evaluate CCFL (countercurrent flow limitation) characteristics in a PWR (pressurized water reactor) hot leg under reflux condensation, numerical simulations have been conducted using a 2F (two-fluid)...In order to evaluate CCFL (countercurrent flow limitation) characteristics in a PWR (pressurized water reactor) hot leg under reflux condensation, numerical simulations have been conducted using a 2F (two-fluid) model and a VOF (volume of fluid) method implemented in the CFD (computational fluid dynamics) software, FLUENT6.3.26. The 2F model gave good agreement with CCFL data in low pressure conditions but did not give good results for high pressure steam-water conditions. In the previous study, the computational grid and schemes were improved in the VOF method to improve calculations in circular tubes, and the calculated CCFL characteristics agreed well with the UPTF (Upper Plenum Test Facility) data at 1.5 MPa. In this study, therefore, using the 2F model and the computational grid previously improved for the VOF calculations, numerical simulations were conducted for steam-water flows at 1.5 MPa under PWR full-scale conditions. In the range of medium gas volumetric fluxes, the calculated CCFL characteristics agreed well with the values calculated by the VOF method and the UPTF data at 1.5 MPa. This indicated that the reference set of the interfacial drag correlations employed in this study could be applied not only to low pressures but also to high pressures.展开更多
A new ruthenium(II) complex with two different types oftridentate ligands was synthesized, 2,2′:6′,2″-terpyridine (tpy) and 2,6-Bis((N-benzyl)aminomethyl)pyridine (bbap): [Ru(tpy)(bbap)]2+ (1). T...A new ruthenium(II) complex with two different types oftridentate ligands was synthesized, 2,2′:6′,2″-terpyridine (tpy) and 2,6-Bis((N-benzyl)aminomethyl)pyridine (bbap): [Ru(tpy)(bbap)]2+ (1). This compound was designed to form intramolecular π-π stacking interaction between tpy and substituted benzyl groups of bbap. The single-crystal X-ray diffraction analysis revealed that 1 crystallized with orthorhombic space group Aea2 and the ruthenium center has a distorted octahedral coordination geometry with fully chelated tpy and bbap ligands. Simultaneously, in the crystal structure of 1, the central part of ligating tpy was stacked and sandwiched with a pair of capped benzyl substituent groups of bbap, the nearest atomic distance being N...C = 3.28 A.展开更多
Surface modification may have important influences on the penetration behavior of nanoscale drug delivery system. In the present study, we mainly focused on whether cell targeting or cell penetration could affect pene...Surface modification may have important influences on the penetration behavior of nanoscale drug delivery system. In the present study, we mainly focused on whether cell targeting or cell penetration could affect penetration abilities of nanostructured lipid carriers(NLC). Real--time penetration of folate--or cell penetrating peptide(CPP)-modified NLC was evaluated using a multicellular tumor spheroid(MTS) established by stacking culture method as an in vitro testing platform. The results suggested that CPP modification had a better penetration behavior both on penetration depth and intensity compared with folate-modified NLC at the early stage of penetration process.展开更多
A method for the estimation of thermophysical properties of two-and multi-phase solid propellants is proposed in this paper.The theoretical solutions for thermal conductivity and specific heat of a homogeneous solid p...A method for the estimation of thermophysical properties of two-and multi-phase solid propellants is proposed in this paper.The theoretical solutions for thermal conductivity and specific heat of a homogeneous solid propellant cell in the transient thermal conductivity process are deduced on the condition that one boundary of the cell is heated while others are adiabatic.A homogenization theory and the finite element method are employed to compute the mean temperature and heat flux of a representative volume element(RVE).According to the mean results and the theoretical solutions,the effective thermal conductivity and specific heat of solid propellant can be estimated.A packing algorithm,considering the solid particles(ammonium perchlorate(AP)or aluminum)as spheres or discs,is used to match the size distribution and volume fraction of solid propellants,and some mesoscopic models of two-phase and three-phase solid propellants are established.According to the estimation theory proposed in this paper,the effective thermal conductivity and specific heat of solid propellants are predicted.The effect of AP or Al volume fraction is also discussed in this paper.展开更多
基金Projects(50934002,51074013,51304076,51104100)supported by the National Natural Science Foundation of ChinaProject(IRT0950)supported by the Program for Changjiang Scholars Innovative Research Team in Universities,ChinaProject(2012M510007)supported by China Postdoctoral Science Foundation
文摘Methods and procedures of three-dimensional (3D) characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional images of specimens with single particle size of 1-2, 2-3, 3-4, 4-5, 5-6, 6-7, 7-8, 8-9, 9-10 ram. Based on the in-house developed 3D image analysis programs using Matlab, the volume porosity, pore size distribution and degree of connectivity were calculated and analyzed in detail. The results indicate that the volume porosity, the mean diameter of pores and the effective pore size (d50) increase with the increasing of particle size. Lognormal distribution or Gauss distribution is mostly suitable to model the pore size distribution. The degree of connectivity investigated on the basis of cluster-labeling algorithm also increases with increasing the particle size approximately.
基金Projects GPMR0547 supported by the State Key Laboratory of Geological Processes and Mineral Resources, China University of Geosciences, and 2002 CB 412601 by the Chinese Ministry of Science and Technology
文摘The Xiangshan deposit in Jiangxi province is one of the most important uranium deposits in China. The aim of this study is to achieve a better understanding of mineralization in the Xiangshan deposit through numerical simulation. In order to find the most favorable locations of mineralization and to help further mineral exploration, a coupling deforma- tion and fluid flow model has been established to describe the mineralization process. In this model, the simulation re- constructs the strata deformations under fields of compressive stress and thrust structure on the hanging wall of the Zou-Shi fault. Compared with practical information, the simulation results are consistent with the No. 51 exploration section of the western Xiangshan. In addition, on the basis of geological information provided by previous investigators, the model simulates the flow process of fluids under compressive stress fields. The result suggests that many tensional areas are formed, which can help the fluid flowing upward from deeper parts. The fluid is easy to concentrate on the breccia fractured zone between two volcanic layers, especially on the intersection parts with faults, resulting in the for- mation of favourable locations of mineralization. In addition, the model is significant in guiding the exploration of ura- nium deposits in the western Xiangshan and provides clues for further exploration of deposits.
基金Projects(51309089,11202063)supported by the National Natural Science Foundation of ChinaProject(2013BAB06B01)supported by the National High Technology Research and Development Program of China+1 种基金Project(2015CB057903)supported by the National Basic Research Program of ChinaProject(BK20130846)supported by Natural Science Foundation of Jiangsu Province,China
文摘For deposit body medium, the internal structural properties may be the controlling factors for the strength of the material and the mechanical response. Based on the results of soil-rock meso-statistics using digital imaging, a simulated annealing algorithm is adopted to expand the meso-structural features of deposit bodies in 3D. The construction of the 3D meso-structure of a deposit body is achieved, and then the particle flow analysis program PFC3 D is used to simulate the mechanical properties of the deposit body. It is shown that with a combination of the simulated annealing algorithm and the statistical feature functions, the randomness and heterogeneity of the rock distribution in the 3D inner structure of deposit body medium can be realized, and the reconstructed structural features of the deposit medium can match the features of the digital images well. The spatial utilizations and the compacting effects of the body-centered cubic, hexagonal close and face-centered packing models are high, so these structures can be applied in the simulations of the deposit structures. However, the shear features of the deposit medium vary depending on the different model constructive modes. Rocks, which are the backbone of the deposit, are the factors that determine the shear strength and deformation modulus of the deposit body. The modeling method proposed is useful for the construction of 3D meso-scope models from 2D meso-scope statistics and can be used for studying the mechanical properties of mixed media, such as deposit bodies.
文摘The tellurium-based glasses TeO2, 85TeOz-15WO3, 85TeO2-10WO3-5Sm203, 77TeO2-20WO3-3Y203, 77TeO2-20WO3-3La203, 65TeO2-33WO3-2Er203 and 49TeO2-29.4WO3-19.6PbO-2Er203 have been prepared by melt quenching technique. Density and molar volume have been measured for the present glasses. Optical absorption studies are carried out on the glass system in the wavelength range of 200-900 nm. The compositions depend on different physical parameters such as density, molar volume and oxygen packing density will be discussed. Also, molar refraction (RM), calculated refractive index (n), metallization criterion (M), electronic polarizability of the oxide ion (to2"(Eopt) and optical basicity A^opt have been determined.
基金This project was supported by the Natural Science Foundation of China and Chinese Academy of Sciences
文摘The crystal structure of [Ni(C5H2N2O4)(2, 2?bipy)(H2O)2]?H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) ? a = 84.771(1), b = 77.375(2), g = 68.993(2)? C15H18N4O8Ni, Mr = 440.7, V = 876.16(5) 3, Z = 2, Dc = 1.672 g/cm3, F(000) = 456, m(MoKa) = 1.162 mm-1, the final R = 0.0464 and wR = 0.1055 for 3026 observed reflections with I > 2s(I). In the title compound, the nickel ion is coordinated by a nitrogen atom and an oxygen atom from the orotate ligand, two nitrogen atoms from 2, 2?bipy and two oxygen atoms from the coordinated water molecules in a distorted octahedral geometry. The presence of intermolecular hydrogen bonding and p-p stacking interaction of aromatic rings from 2, 2?bipy results in a 3D structure.
文摘In order to evaluate CCFL (countercurrent flow limitation) characteristics in a PWR (pressurized water reactor) hot leg under reflux condensation, numerical simulations have been conducted using a 2F (two-fluid) model and a VOF (volume of fluid) method implemented in the CFD (computational fluid dynamics) software, FLUENT6.3.26. The 2F model gave good agreement with CCFL data in low pressure conditions but did not give good results for high pressure steam-water conditions. In the previous study, the computational grid and schemes were improved in the VOF method to improve calculations in circular tubes, and the calculated CCFL characteristics agreed well with the UPTF (Upper Plenum Test Facility) data at 1.5 MPa. In this study, therefore, using the 2F model and the computational grid previously improved for the VOF calculations, numerical simulations were conducted for steam-water flows at 1.5 MPa under PWR full-scale conditions. In the range of medium gas volumetric fluxes, the calculated CCFL characteristics agreed well with the values calculated by the VOF method and the UPTF data at 1.5 MPa. This indicated that the reference set of the interfacial drag correlations employed in this study could be applied not only to low pressures but also to high pressures.
文摘A new ruthenium(II) complex with two different types oftridentate ligands was synthesized, 2,2′:6′,2″-terpyridine (tpy) and 2,6-Bis((N-benzyl)aminomethyl)pyridine (bbap): [Ru(tpy)(bbap)]2+ (1). This compound was designed to form intramolecular π-π stacking interaction between tpy and substituted benzyl groups of bbap. The single-crystal X-ray diffraction analysis revealed that 1 crystallized with orthorhombic space group Aea2 and the ruthenium center has a distorted octahedral coordination geometry with fully chelated tpy and bbap ligands. Simultaneously, in the crystal structure of 1, the central part of ligating tpy was stacked and sandwiched with a pair of capped benzyl substituent groups of bbap, the nearest atomic distance being N...C = 3.28 A.
基金National key Basic Research Program(Grant No.2013CB932501)National Natural Science Foundation of China(Grant No.81273454 and 81473156)+1 种基金Beijing National Science Foundation(Grant No.7132113)Doctoral Foundation of the Ministry of Education(Grant No.20130001110055)
文摘Surface modification may have important influences on the penetration behavior of nanoscale drug delivery system. In the present study, we mainly focused on whether cell targeting or cell penetration could affect penetration abilities of nanostructured lipid carriers(NLC). Real--time penetration of folate--or cell penetrating peptide(CPP)-modified NLC was evaluated using a multicellular tumor spheroid(MTS) established by stacking culture method as an in vitro testing platform. The results suggested that CPP modification had a better penetration behavior both on penetration depth and intensity compared with folate-modified NLC at the early stage of penetration process.
文摘A method for the estimation of thermophysical properties of two-and multi-phase solid propellants is proposed in this paper.The theoretical solutions for thermal conductivity and specific heat of a homogeneous solid propellant cell in the transient thermal conductivity process are deduced on the condition that one boundary of the cell is heated while others are adiabatic.A homogenization theory and the finite element method are employed to compute the mean temperature and heat flux of a representative volume element(RVE).According to the mean results and the theoretical solutions,the effective thermal conductivity and specific heat of solid propellant can be estimated.A packing algorithm,considering the solid particles(ammonium perchlorate(AP)or aluminum)as spheres or discs,is used to match the size distribution and volume fraction of solid propellants,and some mesoscopic models of two-phase and three-phase solid propellants are established.According to the estimation theory proposed in this paper,the effective thermal conductivity and specific heat of solid propellants are predicted.The effect of AP or Al volume fraction is also discussed in this paper.