The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
This paper focuses on the distributed parameter modeling of the zinc electrowinning process(ZEWP)to reveal the spatiotemporal distribution of concentration of zinc ions(CZI)and sulfuric acid(CSA)in the electrolyte.Con...This paper focuses on the distributed parameter modeling of the zinc electrowinning process(ZEWP)to reveal the spatiotemporal distribution of concentration of zinc ions(CZI)and sulfuric acid(CSA)in the electrolyte.Considering the inverse diffusion of such ions in the electrolyte,the dynamic distribution of ions is described by the axial dispersion model.A parameter estimation strategy based on orthogonal approximation has been proposed to estimate the unknown parameters in the process model.Different industrial data sets are used to test the effectiveness of the spatiotemporal distribution model and the proposed parameter estimation approach.The results demonstrate that the analytical model can effectively capture the trends of the electrolysis reaction in time and thus has the potential to implement further optimization and control in the ZEWP.展开更多
The wall surface roughness renders a significant impact on ventilation of roadways and cross-sectional wind speed distribution.Herein,the wall roughness(Ra)in the roadway has been defined theoretically.Moreover,three-...The wall surface roughness renders a significant impact on ventilation of roadways and cross-sectional wind speed distribution.Herein,the wall roughness(Ra)in the roadway has been defined theoretically.Moreover,three-center arched roadway models for different situations are established based on the normal distribution of roof roughness.The influence of inlet velocity,roof roughness and roadway height on wind speed distribution is systematically studied by using Fluent software.At Ra=0.1 m,the simulation results reveal that the wind speed is negatively related to the distance from the wall to the point where 80%of the central wind speed is reached(DA).Also,the wind speed distribution is significantly influenced by increasing the roof roughness.However,the wind speed distribution becomes asymmetric at Ra=0.2 m and 0.3 m.Furthermore,the low-speed area(v≤1 m/s)started to concentrate on the roof with the increase of roadway height.Overall,an Ra value of<0.1 m can reduce the influence of wall roughness on wind speed distribution of the roadway,which is suggested in practical applications.展开更多
Considering the fact that the temperature distribution in furnace of a tangential fired pulverized coal boiler is difficult to be measured and monitored, two-stage numerical simulation method was put forward. First, m...Considering the fact that the temperature distribution in furnace of a tangential fired pulverized coal boiler is difficult to be measured and monitored, two-stage numerical simulation method was put forward. First, multi-field coupling simulation in typical work conditions was carried out off-line with the software CFX-4.3, and then the expression of temperature profile varying with operating parameter was obtained. According to real-time operating parameters, the temperature at arbitrary point of the furnace can be calculated by using this expression. Thus the temperature profile can be shown on-line and monitoring for combustion state in the furnace is realized. The simul-(ation) model was checked by the parameters measured in an operating boiler, (DG130-9.8/540.) The maximum of relative error is less than 12% and the absolute error is less than 120℃, which shows that the proposed two-stage simulation method is reliable and able to satisfy the requirement of industrial application.展开更多
In the feeding process of aluminum electrolytic, feeding quantity of alumina affects eventually dissolved quantity at the end of a feeding cycle. Based on the OpenFOAM platform, dissolution model coupled with heat and...In the feeding process of aluminum electrolytic, feeding quantity of alumina affects eventually dissolved quantity at the end of a feeding cycle. Based on the OpenFOAM platform, dissolution model coupled with heat and mass transfer was established. Applying the Rosin-Rammler function, alumina particle size distribution under different feeding quantities was obtained. The temperature response of electrolyte after feeding was included and calculated, and the dissolution processes of alumina with different feeding quantities (0.6, 0.8, 1.0, 1.2, 1.4, 1.6 kg) after feeding were simulated in 300 kA aluminum reduction cell. The results show that with the increase of feeding quantity, accumulated mass fraction of dissolved alumina decreases, and the time required for the rapid dissolution stage extends. When the feeding quantity is 0.6 kg and 1.2 kg, it takes the shortest time for the electrolyte temperature dropping before rebounding back. With the increase of feeding quantity, the dissolution rate in the rapid dissolution stage increases at first and then decreases gradually. The most suitable feeding quantity is 1.2 kg. The fitting equation of alumina dissolution curve under different feeding quantities is obtained, which can be used to evaluate the alumina dissolution and guide the feeding quantity and feeding cycle.展开更多
The radiative properties of a gold surface with one-dimensional Gaussian random roughness distribution were obtained with the finite-difference time-domain （FDTD） method and the recursive convolution treatment of th...The radiative properties of a gold surface with one-dimensional Gaussian random roughness distribution were obtained with the finite-difference time-domain （FDTD） method and the recursive convolution treatment of the Drude Model. The bi-directional reflection distribution function （BRDF） for both TM mode and TE mode were obtained and compared with the highly accurate experimental data from the earlier work. The incident wavelength varies from 1.152 μm to 3.392 μm and incident angle is at 300-70°, respectively. The results show that, the predicted values and experimental results are in good agreement. The highly specular peak in the BRDF is reproduced in the numerical simulations, and the increase of the TM mode BRDF is found to be attributed to the effect of a variation in the optical constant at the incident wavelength period.展开更多
The influence of heterogeneity on mechanical and acoustic emission characteristics of rock specimen under uniaxial compress was studied with numerical simulation methods.Weibull distribution function was adopted to de...The influence of heterogeneity on mechanical and acoustic emission characteristics of rock specimen under uniaxial compress was studied with numerical simulation methods.Weibull distribution function was adopted to describe the mesoscopic heterogeneity of rocks.The failure process of heterogeneous rock specimen under uniaxial loading was simulated using FLAC 3D software.Five schemes were adopted to investigate the influence of heterogeneity.The results demonstrate that as the homogeneity increases,the peak strength and brittleness of rocks increase,and the macro elastic modulus improves as well.Heterogeneity has great influence on macro elastic modulus and strength when the homogeneity coefficient is less than 20.0.The volume expansion is not so obvious when the homogeneity increases.As the homogeneity coefficient increases the acoustic emissions modes change from swarm shock to main shock.When the homogeneity coefficient is high,the cumulative acoustic emission events-axial strain curve is gentle before the rock failure.The numerical results agree with the previously numerical results and earlier experimental measurements.展开更多
Numerical simulation combined with experimental test was carried out to analyze the pre-stretching process of the 7075 aluminum alloy sheet,from which the stress variation curves and residual stress of aluminum alloy ...Numerical simulation combined with experimental test was carried out to analyze the pre-stretching process of the 7075 aluminum alloy sheet,from which the stress variation curves and residual stress of aluminum alloy sheet in different stretch rates were obtained.The results show that the residual stress in length direction is released after unloading the stretch force,while the residual stress in width direction is released during the stretching process.The study of residual stress elimination is beneficial for optimizing stretch rate on the basis of residual stress distribution law.By comparing the variation principle of residual stress in length direction,the size range of three deformation areas and elimination percentage of residual stress were obtained.The residual stresses of clamping area and transition area are not eliminated effectively,so sawing quantity should be the sum of both the areas.The elimination rate of residual stress in even deformation area could reach 90% after choosing a proper stretch rate,which is verified by both simulation and experiment.展开更多
in order to achieve a more efficient way to accurately detect the position of the fire source of spontaneous combustion underground mine, a simple fire source locating method, based on infrared scanning system which c...in order to achieve a more efficient way to accurately detect the position of the fire source of spontaneous combustion underground mine, a simple fire source locating method, based on infrared scanning system which can determine the point where the highest temperature on the surface of igniting ores occurs, was proposed. First, the differential equations that describe heat flow in ore body were presented and the relationship between the surface temperature distribution and the depth and intensity of inner fire source was established with a relatively simple heat transfer model. With the solution of equation, the expression of the relationship between the surface temperature distribution and the inner fire source was deduced and the mathematical-physical model of heat transfer process was set up. Then, with the model, visualization of fire source on the basis of MATLAB simulation platform was realized. The results show that： 1） within 10 m, when the detecting depth is less than 2 m, the temperature perturbation on ores surface can change rapidly, and then slowly; after 4 m, in contrast, it changes very little, and is even close to zero at 10 m; 2） When it is close to self-ignition duration and the detective depths are 2, 5 and 10 m, respectively, the maximum temperature differences are correspondingly 0.5, 0.04 and 0.005 ℃ in the scope of 1 m×1 m; under the same condition, the maximum temperature differences are 1.391, 0.136 and 0.018 ℃, respectively, in the scope of 2 m×2 m. Therefore, this system can be used to measure the temperature differences on the surface of ore body and determine the highest temperature point directly. Also, it is possible to determine the depth of fire source and its intensity by locating method of fire source indirectly.展开更多
The effect of wall temperature on the characteristics of random combustion of micro organic particles with recirculation was investigated. The effect of recirculating in micro-combustors is noticeable, hence it is nec...The effect of wall temperature on the characteristics of random combustion of micro organic particles with recirculation was investigated. The effect of recirculating in micro-combustors is noticeable, hence it is necessary to present a model to describe the combustion process in these technologies. Recirculation phenomenon is evaluated by entering the exhausted heat from the post flam zone into the preheat zone. In this work, for modeling of random situation at the flame front, the source term in the equation of energy was modeled considering random situation for volatizing of particles in preheat zone. The comparison of obtained results from the proposed model by experimental data regards that the random model has a better agreement with experimental data than non-random model. Also, according to the results obtained by this model, wall temperature affects the amount of heat recirculation directly and higher values of wall temperature will lead to higher amounts of burning velocity and flame temperature.展开更多
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
基金Project(61673400)supported by the National Natural Science Foundation of ChinaProject(2015cx007)supported by the Innovation-driven Plan in Central South University,China+1 种基金Project(61321003)supported by the Foundation for Innovative Research Groups of the National Natural Science Foundation of ChinaProjects(61590921,61590923)supported by the Major Program of the National Natural Science Foundation of China
文摘This paper focuses on the distributed parameter modeling of the zinc electrowinning process(ZEWP)to reveal the spatiotemporal distribution of concentration of zinc ions(CZI)and sulfuric acid(CSA)in the electrolyte.Considering the inverse diffusion of such ions in the electrolyte,the dynamic distribution of ions is described by the axial dispersion model.A parameter estimation strategy based on orthogonal approximation has been proposed to estimate the unknown parameters in the process model.Different industrial data sets are used to test the effectiveness of the spatiotemporal distribution model and the proposed parameter estimation approach.The results demonstrate that the analytical model can effectively capture the trends of the electrolysis reaction in time and thus has the potential to implement further optimization and control in the ZEWP.
基金Project(2017YFC0602901)supported by the National Key Research and Development Program of ChinaProject(2019zzts988)supported by the Postgraduate Independent Exploration and Innovative Project of Central South University,China。
文摘The wall surface roughness renders a significant impact on ventilation of roadways and cross-sectional wind speed distribution.Herein,the wall roughness(Ra)in the roadway has been defined theoretically.Moreover,three-center arched roadway models for different situations are established based on the normal distribution of roof roughness.The influence of inlet velocity,roof roughness and roadway height on wind speed distribution is systematically studied by using Fluent software.At Ra=0.1 m,the simulation results reveal that the wind speed is negatively related to the distance from the wall to the point where 80%of the central wind speed is reached(DA).Also,the wind speed distribution is significantly influenced by increasing the roof roughness.However,the wind speed distribution becomes asymmetric at Ra=0.2 m and 0.3 m.Furthermore,the low-speed area(v≤1 m/s)started to concentrate on the roof with the increase of roadway height.Overall,an Ra value of<0.1 m can reduce the influence of wall roughness on wind speed distribution of the roadway,which is suggested in practical applications.
文摘Considering the fact that the temperature distribution in furnace of a tangential fired pulverized coal boiler is difficult to be measured and monitored, two-stage numerical simulation method was put forward. First, multi-field coupling simulation in typical work conditions was carried out off-line with the software CFX-4.3, and then the expression of temperature profile varying with operating parameter was obtained. According to real-time operating parameters, the temperature at arbitrary point of the furnace can be calculated by using this expression. Thus the temperature profile can be shown on-line and monitoring for combustion state in the furnace is realized. The simul-(ation) model was checked by the parameters measured in an operating boiler, (DG130-9.8/540.) The maximum of relative error is less than 12% and the absolute error is less than 120℃, which shows that the proposed two-stage simulation method is reliable and able to satisfy the requirement of industrial application.
基金Project(2010AA065201) supported by the High-Tech Research and Development Program of ChinaProject(2018zzts157) supported by the Fundamental Research Funds for the Central Universities,China
文摘In the feeding process of aluminum electrolytic, feeding quantity of alumina affects eventually dissolved quantity at the end of a feeding cycle. Based on the OpenFOAM platform, dissolution model coupled with heat and mass transfer was established. Applying the Rosin-Rammler function, alumina particle size distribution under different feeding quantities was obtained. The temperature response of electrolyte after feeding was included and calculated, and the dissolution processes of alumina with different feeding quantities (0.6, 0.8, 1.0, 1.2, 1.4, 1.6 kg) after feeding were simulated in 300 kA aluminum reduction cell. The results show that with the increase of feeding quantity, accumulated mass fraction of dissolved alumina decreases, and the time required for the rapid dissolution stage extends. When the feeding quantity is 0.6 kg and 1.2 kg, it takes the shortest time for the electrolyte temperature dropping before rebounding back. With the increase of feeding quantity, the dissolution rate in the rapid dissolution stage increases at first and then decreases gradually. The most suitable feeding quantity is 1.2 kg. The fitting equation of alumina dissolution curve under different feeding quantities is obtained, which can be used to evaluate the alumina dissolution and guide the feeding quantity and feeding cycle.
基金Project(N110204015) supported by the Fundamental Research Funds for the Central Universities
文摘The radiative properties of a gold surface with one-dimensional Gaussian random roughness distribution were obtained with the finite-difference time-domain （FDTD） method and the recursive convolution treatment of the Drude Model. The bi-directional reflection distribution function （BRDF） for both TM mode and TE mode were obtained and compared with the highly accurate experimental data from the earlier work. The incident wavelength varies from 1.152 μm to 3.392 μm and incident angle is at 300-70°, respectively. The results show that, the predicted values and experimental results are in good agreement. The highly specular peak in the BRDF is reproduced in the numerical simulations, and the increase of the TM mode BRDF is found to be attributed to the effect of a variation in the optical constant at the incident wavelength period.
基金Project(2007CB209407) supported by the National Basic Research Program of ChinaProject(50729904) supported by the National Natural Science Foundation of China
文摘The influence of heterogeneity on mechanical and acoustic emission characteristics of rock specimen under uniaxial compress was studied with numerical simulation methods.Weibull distribution function was adopted to describe the mesoscopic heterogeneity of rocks.The failure process of heterogeneous rock specimen under uniaxial loading was simulated using FLAC 3D software.Five schemes were adopted to investigate the influence of heterogeneity.The results demonstrate that as the homogeneity increases,the peak strength and brittleness of rocks increase,and the macro elastic modulus improves as well.Heterogeneity has great influence on macro elastic modulus and strength when the homogeneity coefficient is less than 20.0.The volume expansion is not so obvious when the homogeneity increases.As the homogeneity coefficient increases the acoustic emissions modes change from swarm shock to main shock.When the homogeneity coefficient is high,the cumulative acoustic emission events-axial strain curve is gentle before the rock failure.The numerical results agree with the previously numerical results and earlier experimental measurements.
基金Project(2009GJF10028) supported by Technical Special Pilot Program of ChinaProject(CDJXS11110013) supported by the Fundamental Research Funds for the Central Universities of China
文摘Numerical simulation combined with experimental test was carried out to analyze the pre-stretching process of the 7075 aluminum alloy sheet,from which the stress variation curves and residual stress of aluminum alloy sheet in different stretch rates were obtained.The results show that the residual stress in length direction is released after unloading the stretch force,while the residual stress in width direction is released during the stretching process.The study of residual stress elimination is beneficial for optimizing stretch rate on the basis of residual stress distribution law.By comparing the variation principle of residual stress in length direction,the size range of three deformation areas and elimination percentage of residual stress were obtained.The residual stresses of clamping area and transition area are not eliminated effectively,so sawing quantity should be the sum of both the areas.The elimination rate of residual stress in even deformation area could reach 90% after choosing a proper stretch rate,which is verified by both simulation and experiment.
基金Project(2006BAK04B03) supported by the National Basic Research Program of ChinaProject(CX2009B053) supported by Innovation Foundation for Postgraduate Students of Hunan Province,ChinaProject(2009ybfz08) supported by the Doctoral Dissertation of Central South University,China
文摘in order to achieve a more efficient way to accurately detect the position of the fire source of spontaneous combustion underground mine, a simple fire source locating method, based on infrared scanning system which can determine the point where the highest temperature on the surface of igniting ores occurs, was proposed. First, the differential equations that describe heat flow in ore body were presented and the relationship between the surface temperature distribution and the depth and intensity of inner fire source was established with a relatively simple heat transfer model. With the solution of equation, the expression of the relationship between the surface temperature distribution and the inner fire source was deduced and the mathematical-physical model of heat transfer process was set up. Then, with the model, visualization of fire source on the basis of MATLAB simulation platform was realized. The results show that： 1） within 10 m, when the detecting depth is less than 2 m, the temperature perturbation on ores surface can change rapidly, and then slowly; after 4 m, in contrast, it changes very little, and is even close to zero at 10 m; 2） When it is close to self-ignition duration and the detective depths are 2, 5 and 10 m, respectively, the maximum temperature differences are correspondingly 0.5, 0.04 and 0.005 ℃ in the scope of 1 m×1 m; under the same condition, the maximum temperature differences are 1.391, 0.136 and 0.018 ℃, respectively, in the scope of 2 m×2 m. Therefore, this system can be used to measure the temperature differences on the surface of ore body and determine the highest temperature point directly. Also, it is possible to determine the depth of fire source and its intensity by locating method of fire source indirectly.
文摘The effect of wall temperature on the characteristics of random combustion of micro organic particles with recirculation was investigated. The effect of recirculating in micro-combustors is noticeable, hence it is necessary to present a model to describe the combustion process in these technologies. Recirculation phenomenon is evaluated by entering the exhausted heat from the post flam zone into the preheat zone. In this work, for modeling of random situation at the flame front, the source term in the equation of energy was modeled considering random situation for volatizing of particles in preheat zone. The comparison of obtained results from the proposed model by experimental data regards that the random model has a better agreement with experimental data than non-random model. Also, according to the results obtained by this model, wall temperature affects the amount of heat recirculation directly and higher values of wall temperature will lead to higher amounts of burning velocity and flame temperature.
