From June 2008 to August 2013,approximately 67 kt of CO_(2) was injected into a deep saline formation at the Ketzin pilot CO_(2) storage site.During injection,3D seismic surveys have been performed to monitor the migr...From June 2008 to August 2013,approximately 67 kt of CO_(2) was injected into a deep saline formation at the Ketzin pilot CO_(2) storage site.During injection,3D seismic surveys have been performed to monitor the migration of sequestered CO_(2).Seismic monitoring results are limited by the acquisition and signal-to-noise ratio of the acquired data.The multiphysical reservoir simulation provides information regarding the CO_(2) fluid behavior,and the approximated model should be calibrated with the monitoring results.In this work,property models are delivered from the multiphysical model during 3D repeated seismic surveys.The simulated seismic data based on the models are compared with the real data,and the results validate the effectiveness of the multiphysical inversion method.Time-lapse analysis shows the trend of CO_(2) migration during and after injection.展开更多
In order to conform to dimensional tolerances, an efficient numerical method, displacement iterative compensation method, based on finite element methodology (FEM) was presented for the wax pattern die profile desig...In order to conform to dimensional tolerances, an efficient numerical method, displacement iterative compensation method, based on finite element methodology (FEM) was presented for the wax pattern die profile design of turbine blades. Casting shrinkages at different positions of the blade which was considered nonlinear thermo-mechanical casting deformations were calculated. Based on the displacement iterative compensation method proposed, the optimized wax pattern die profile can be established. For a A356 alloy blade, substantial reduction in dimensional and shape tolerances was achieved with the developed die shape optimization system. Numerical simulation result obtained by the proposed method shows a good agreement with the result measured experimentally. After four times iterations, compared with the CAD model of turbine blade, the total form error decreases to 0.001 978 mm from the orevious 0.515 815 mm.展开更多
A novel approach based on the quantitative phase field model was proposed to calculate the interface mobility and applied to the α/β interface of a ternary Ti-6Al-4V alloy.Phase field simulations indicate that the h...A novel approach based on the quantitative phase field model was proposed to calculate the interface mobility and applied to the α/β interface of a ternary Ti-6Al-4V alloy.Phase field simulations indicate that the higher interface mobility leads to the faster transformation rate,but only a unique value of interface mobility matches the diffusion equation under the diffusion-controlled condition.By comparing the transformation kinetics from phase field simulations with that from classical diffusion equation,the interface mobility at different temperatures can be obtained.The results show that the calculated interface mobility increases with increasing temperature and accords with Arrhenius equation very well.展开更多
Presently the research based on the accurate seismic imaging methods for surface relief, complex structure, and complicated velocity distributions is of great significance. Reverse-time migration is considered to be o...Presently the research based on the accurate seismic imaging methods for surface relief, complex structure, and complicated velocity distributions is of great significance. Reverse-time migration is considered to be one of highly accurate methods. In this paper, we propose a new non-reflecting recursive algorithm for reverse-time migration by introducing the wave impedance function into the acoustic wave equation and the algorithm for the surface relief case is derived from the coordinate transformation principle. Using the exploding reflector principle and the zero-time imaging condition of poststack reverse- time migration, poststack numerical simulation and reverse-time migration with complex conditions can be realized. The results of synthetic and real data calculations show that the method effectively suppresses unwanted internal reflections and also deals with the seismic imaging problems resulting from surface relief. So, we prove that this method has strong adaptability and practicality.展开更多
A mathematical model considering free nuclei was developed to reveal the migration behavior of the free nuclei. Numerical simulation results show that most of the nuclei on the top surface of the melt move downwards a...A mathematical model considering free nuclei was developed to reveal the migration behavior of the free nuclei. Numerical simulation results show that most of the nuclei on the top surface of the melt move downwards and distribute randomly inside the Al melt, which induces more nucleation sites resulting in grain refinement. At the same time, the effect of nuclei size on the nuclei distribution and refinement employing electric current pulse (ECP) was also investigated. The smaller nuclei migrate a short distance with the Al melt at lower speed. But for the larger nuclei, the migration downwards with higher speed benefits the refinement of interior grains of the melt. The research results help to better understand the refinement process and provide a more reasonable explanation of the grain refinement mechanism using ECP.展开更多
Differential interferometric synthetic aperture radar (DInSAR) technology is a new method to monitor the dynamic surface subsidence. It can monitor the large scope of dynamic deformation process of surface subsidenc...Differential interferometric synthetic aperture radar (DInSAR) technology is a new method to monitor the dynamic surface subsidence. It can monitor the large scope of dynamic deformation process of surface subsidence basin and better reflect the surface subsidence form in different stages. But under the influence of factors such as noise and other factors, the tilt and horizontal deformation curves regularity calculated by DInSAR data are poorer and the actual deviation is larger. The tilt and horizontal deformations are the important indices for the safety of surface objects protection. Numerical simulation method was used to study the dynamic deformation of LW32 of West Cliff colliery in Australia based on the DInSAR monitoring data. The result indicates that the subsidence curves of two methods fit well and the correlation coefficient is more than 95%. The other deformations calculated by numerical simulation results are close to the theory form. Therefore, considering the influence, the surface and its subsidiary structures and buildings due to mining, the numerical simulation method based on the DInSAR data can reveal the distribution rules of the surface dynamic deformation values and supply the shortcomings of DInSAR technology. The research shows that the method has good applicability and can provide reference for similar situation.展开更多
An all-atom dimethyl sulfoxide (DMSO) and water model have been used for molecular dynamics simulation. The NMR and IR spectra are also performed to study the structures and interactions in the DMSO-water system. An...An all-atom dimethyl sulfoxide (DMSO) and water model have been used for molecular dynamics simulation. The NMR and IR spectra are also performed to study the structures and interactions in the DMSO-water system. And there are traditional strong hydrogen bonds and weak C-H- ~ ~ O contacts existing in the mixtures according to the analysis of the radial distribution functions. The insight structures in the DMSO-water mixtures can be classified into different regions by the analysis of the hydrogen-bonding network. Interestingly, the molar fraction of DMSO 0.35 is found to be a special concentration by the network. It is the transitional region which is from the water rich region to the DMSO rich region. The stable aggregates of (DMSO)m'S=O…… HW-OW-(H20)n might play a key role in this region. Moreover, the simulation is compared with the chemical shifts in NMR and wavenumbers in IR with concentration dependence. And the statistical results of the average number hydrogen bonds in the MD simulations are in agreement with the experiment data in NMR and IR spectra.展开更多
A new method is used to simulate InGaAs/InP composite channel high electron mobility transistors (HEMTs). By coupling the hydrodynamic model and the density gradient model, the electron density distribution in the c...A new method is used to simulate InGaAs/InP composite channel high electron mobility transistors (HEMTs). By coupling the hydrodynamic model and the density gradient model, the electron density distribution in the channel in different electric fields is obtained. This method is faster and more robust than traditional meth- ods and should be applicable to other types of HEMTs simulations. A detailed study of the InGaAs/InP composite channel HEMTs is presented with the help of simulations.展开更多
The binaphthol enantiomers separation process using simulation moving bed technology is simulated with the true moving bed approach (TMB). In order to systematically optimize the process with multiple productive obj...The binaphthol enantiomers separation process using simulation moving bed technology is simulated with the true moving bed approach (TMB). In order to systematically optimize the process with multiple productive objectives, this article develops a variant of tissue P system (TPS). Inspired by general tissue P systems, the special TPS has a tissue-like structure with several membranes. The key rules of each membrane are the communication rule and mutation rule. These characteristics contribute to the diversity of the population, the conquest of the multimodal of objective function, and the convergence of algorithm. The results of comparison with a popular algorithm——the non-dominated sorting genetic algorithm 2(NSGA-2) illustrate that the new algorithm has satisfactory performance. Using the algorithm, this study maximizes synchronously several conflicting objectives, purities of different products, and productivity.展开更多
A non-linear non-ideal model, taking into account non-linear competitive isotherms, axial dispersion, film mass transfer, intraparticle diffusion, and port periodic switching, was developed to simulate the dynamics of...A non-linear non-ideal model, taking into account non-linear competitive isotherms, axial dispersion, film mass transfer, intraparticle diffusion, and port periodic switching, was developed to simulate the dynamics of simulated moving bed chromatography (SMBC). The model equations were solved by a new efficient numerical technique of orthogonal collocation on finite elements with periodical movement of concentration vector. The simulated SMBC performance is in accordance with the experimental results reported in the literature for separation of l,1'-bi-2-naphthol enantiomers using SMBC. This model is useful for design, operation, optimization and scale-up of non-linear SMBC for chiral separations with significant non-ideal effects, especially for high solute concentration and small intraparticle diffusion coefficient or large chiral stationary phase particle.展开更多
A rate model, which considers axial dispersion, external mass transfer, intraparticle diffusion and nonlinear isotherms, and ports periodic switching is adopted to simulate the simulated moving bed (SMB) process. Th...A rate model, which considers axial dispersion, external mass transfer, intraparticle diffusion and nonlinear isotherms, and ports periodic switching is adopted to simulate the simulated moving bed (SMB) process. The effects of flow rate in Sections 2 and 3 and switching time on the operating performance parameters: purity, recovery, productivity and dcsorbent consumption are studied. A simulation approach is applied to simulate the operation and performance of the SMB. The model predicts the performance of the transient and cyclic steady state behavior to a reasonably good extent, and provides guidance operation condition of the SMB process.展开更多
A new feeding mode for a simulated moving bed(SMB) is proposed.The outlet stream from zone II is collected at regular intervals.The concentration of the solution is increased by dissolving raw materials and then fed t...A new feeding mode for a simulated moving bed(SMB) is proposed.The outlet stream from zone II is collected at regular intervals.The concentration of the solution is increased by dissolving raw materials and then fed to zone III as the feed stream during the next collection interval.In this feeding mode,the concentration of the stream fed to zone III is identical to that of original feed,while in a conventional SMB,the feed is diluted by mix-ing with the outlet stream of zone II before feeding to zone III.The new feeding mode increases the inlet concentra-tion of zone III.A modeling investigation shows that higher inlet concentration of zone III increases the height of concentration band in SMB,improving the separation performance significantly.In comparison with the traditonal feeding mode,the new feeding mode increases the productivity by 23.52%and decreases the solvent consumption by 22.56%,so as to increase the raffinate and extract concentrations by 53.17%and 20.38%,respectively.The col-lection interval for the outlet stream from zone II has no effect on the separation performance after reaching the steady state,so that the collection interval can be increased to make the operation more convenient.展开更多
Asynchronous simulated moving bed chromatography (ASMBC), known also as the 'VARICOL' process, is more efficient and flexible than the well-known and traditional simulated moving bed chromatography (SMBC). A d...Asynchronous simulated moving bed chromatography (ASMBC), known also as the 'VARICOL' process, is more efficient and flexible than the well-known and traditional simulated moving bed chromatography (SMBC). A detailed model of ASMBC, taking account of non-linear competitive isotherms, mass transfer parameters, and complex port switching schedule parameters, was developed to simulate the complex dynamics of ASMBC.The simulated performance is in close agreement with the experimental data of chiral separation reported in the literature. The simulation results show that ASMBC can achieve the performance similar to SMBC with fewer columns and can achieve better performance than SMBC with the same total column number. All design and operation parameters can be chosen correctly by numerical simulation. This detailed ASMBC model and the numerical technique are useful for design, operation, optimization and scale-up of ASMBC.展开更多
A two-feed simulated moving bed(SMB) was proposed to utilize the stationary phase more effectively.Zone I is disconnected with zone Ⅱ and zone Ⅲ is disconnected with zone IV.Two feeds are added to zones I and Ⅲ,w...A two-feed simulated moving bed(SMB) was proposed to utilize the stationary phase more effectively.Zone I is disconnected with zone Ⅱ and zone Ⅲ is disconnected with zone IV.Two feeds are added to zones I and Ⅲ,while two desorbents are added to zones Ⅱ and IV separately.The investigation on the movement of concentra-tion bands indicated that the tail of the strong retained solute and the front of the weak retained solute were eluted from zones I and Ⅲ orderly,so the streams from zones I and Ⅲ could be cut into different fractions to give the products with high purity.The two-feed SMB was used to separate α-tocopherol from its homologue mixture suc-cessfully,and could double the productivity if both feeds were identical to the feed in the conventional four-zone SMB.The solvent consumption could be reduced by reusing the middle fraction without solutes.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.42025403)the Youth Innovation Promotion Association,Chinese Academy of Sciences(Grant No.2023074).
文摘From June 2008 to August 2013,approximately 67 kt of CO_(2) was injected into a deep saline formation at the Ketzin pilot CO_(2) storage site.During injection,3D seismic surveys have been performed to monitor the migration of sequestered CO_(2).Seismic monitoring results are limited by the acquisition and signal-to-noise ratio of the acquired data.The multiphysical reservoir simulation provides information regarding the CO_(2) fluid behavior,and the approximated model should be calibrated with the monitoring results.In this work,property models are delivered from the multiphysical model during 3D repeated seismic surveys.The simulated seismic data based on the models are compared with the real data,and the results validate the effectiveness of the multiphysical inversion method.Time-lapse analysis shows the trend of CO_(2) migration during and after injection.
基金Project (2008ZE53042) supported by National Aerospace Science Foundation of China
文摘In order to conform to dimensional tolerances, an efficient numerical method, displacement iterative compensation method, based on finite element methodology (FEM) was presented for the wax pattern die profile design of turbine blades. Casting shrinkages at different positions of the blade which was considered nonlinear thermo-mechanical casting deformations were calculated. Based on the displacement iterative compensation method proposed, the optimized wax pattern die profile can be established. For a A356 alloy blade, substantial reduction in dimensional and shape tolerances was achieved with the developed die shape optimization system. Numerical simulation result obtained by the proposed method shows a good agreement with the result measured experimentally. After four times iterations, compared with the CAD model of turbine blade, the total form error decreases to 0.001 978 mm from the orevious 0.515 815 mm.
基金Project (51101059) supported by the National Natural Science Foundation of ChinaProject (20110490874) supported by the China Postdoctoral Science Foundation
文摘A novel approach based on the quantitative phase field model was proposed to calculate the interface mobility and applied to the α/β interface of a ternary Ti-6Al-4V alloy.Phase field simulations indicate that the higher interface mobility leads to the faster transformation rate,but only a unique value of interface mobility matches the diffusion equation under the diffusion-controlled condition.By comparing the transformation kinetics from phase field simulations with that from classical diffusion equation,the interface mobility at different temperatures can be obtained.The results show that the calculated interface mobility increases with increasing temperature and accords with Arrhenius equation very well.
基金supported by the National Natural Science Foundation of China (Grant No. 40974073)the National 863 Program (Grant No.2007AA060504)the National 973 Program (Grant No. 2007CB209605) and CNPC Geophysical Laboratories
文摘Presently the research based on the accurate seismic imaging methods for surface relief, complex structure, and complicated velocity distributions is of great significance. Reverse-time migration is considered to be one of highly accurate methods. In this paper, we propose a new non-reflecting recursive algorithm for reverse-time migration by introducing the wave impedance function into the acoustic wave equation and the algorithm for the surface relief case is derived from the coordinate transformation principle. Using the exploding reflector principle and the zero-time imaging condition of poststack reverse- time migration, poststack numerical simulation and reverse-time migration with complex conditions can be realized. The results of synthetic and real data calculations show that the method effectively suppresses unwanted internal reflections and also deals with the seismic imaging problems resulting from surface relief. So, we prove that this method has strong adaptability and practicality.
基金Project(SELF-2011-01)supported by the Open Project of Shanghai Key Laboratory of Modern Metallurgy and Materials Processing,ChinaProjects(51204109,51035004)supported by the National Natural Science Foundation of China
文摘A mathematical model considering free nuclei was developed to reveal the migration behavior of the free nuclei. Numerical simulation results show that most of the nuclei on the top surface of the melt move downwards and distribute randomly inside the Al melt, which induces more nucleation sites resulting in grain refinement. At the same time, the effect of nuclei size on the nuclei distribution and refinement employing electric current pulse (ECP) was also investigated. The smaller nuclei migrate a short distance with the Al melt at lower speed. But for the larger nuclei, the migration downwards with higher speed benefits the refinement of interior grains of the melt. The research results help to better understand the refinement process and provide a more reasonable explanation of the grain refinement mechanism using ECP.
基金Project (20110023110014) supported by Specialized Research Fund for the Doctoral Program of Higher Education of ChinaProject (2010QD01) supported by Fundamental Research Funds for the Central Universities,China
文摘Differential interferometric synthetic aperture radar (DInSAR) technology is a new method to monitor the dynamic surface subsidence. It can monitor the large scope of dynamic deformation process of surface subsidence basin and better reflect the surface subsidence form in different stages. But under the influence of factors such as noise and other factors, the tilt and horizontal deformation curves regularity calculated by DInSAR data are poorer and the actual deviation is larger. The tilt and horizontal deformations are the important indices for the safety of surface objects protection. Numerical simulation method was used to study the dynamic deformation of LW32 of West Cliff colliery in Australia based on the DInSAR monitoring data. The result indicates that the subsidence curves of two methods fit well and the correlation coefficient is more than 95%. The other deformations calculated by numerical simulation results are close to the theory form. Therefore, considering the influence, the surface and its subsidiary structures and buildings due to mining, the numerical simulation method based on the DInSAR data can reveal the distribution rules of the surface dynamic deformation values and supply the shortcomings of DInSAR technology. The research shows that the method has good applicability and can provide reference for similar situation.
文摘An all-atom dimethyl sulfoxide (DMSO) and water model have been used for molecular dynamics simulation. The NMR and IR spectra are also performed to study the structures and interactions in the DMSO-water system. And there are traditional strong hydrogen bonds and weak C-H- ~ ~ O contacts existing in the mixtures according to the analysis of the radial distribution functions. The insight structures in the DMSO-water mixtures can be classified into different regions by the analysis of the hydrogen-bonding network. Interestingly, the molar fraction of DMSO 0.35 is found to be a special concentration by the network. It is the transitional region which is from the water rich region to the DMSO rich region. The stable aggregates of (DMSO)m'S=O…… HW-OW-(H20)n might play a key role in this region. Moreover, the simulation is compared with the chemical shifts in NMR and wavenumbers in IR with concentration dependence. And the statistical results of the average number hydrogen bonds in the MD simulations are in agreement with the experiment data in NMR and IR spectra.
文摘A new method is used to simulate InGaAs/InP composite channel high electron mobility transistors (HEMTs). By coupling the hydrodynamic model and the density gradient model, the electron density distribution in the channel in different electric fields is obtained. This method is faster and more robust than traditional meth- ods and should be applicable to other types of HEMTs simulations. A detailed study of the InGaAs/InP composite channel HEMTs is presented with the help of simulations.
基金Supported by the National Natural Science Foundation of China (No.60421002)
文摘The binaphthol enantiomers separation process using simulation moving bed technology is simulated with the true moving bed approach (TMB). In order to systematically optimize the process with multiple productive objectives, this article develops a variant of tissue P system (TPS). Inspired by general tissue P systems, the special TPS has a tissue-like structure with several membranes. The key rules of each membrane are the communication rule and mutation rule. These characteristics contribute to the diversity of the population, the conquest of the multimodal of objective function, and the convergence of algorithm. The results of comparison with a popular algorithm——the non-dominated sorting genetic algorithm 2(NSGA-2) illustrate that the new algorithm has satisfactory performance. Using the algorithm, this study maximizes synchronously several conflicting objectives, purities of different products, and productivity.
基金Supported by the National Natural Science Foundation of China(No.20206027)and the Natural Science Foundation of Zhejiang Province(No.202046).
文摘A non-linear non-ideal model, taking into account non-linear competitive isotherms, axial dispersion, film mass transfer, intraparticle diffusion, and port periodic switching, was developed to simulate the dynamics of simulated moving bed chromatography (SMBC). The model equations were solved by a new efficient numerical technique of orthogonal collocation on finite elements with periodical movement of concentration vector. The simulated SMBC performance is in accordance with the experimental results reported in the literature for separation of l,1'-bi-2-naphthol enantiomers using SMBC. This model is useful for design, operation, optimization and scale-up of non-linear SMBC for chiral separations with significant non-ideal effects, especially for high solute concentration and small intraparticle diffusion coefficient or large chiral stationary phase particle.
基金Supported by the Doctoral Program Foundation of the Institution of Higher Education of China (No.20040335045).
文摘A rate model, which considers axial dispersion, external mass transfer, intraparticle diffusion and nonlinear isotherms, and ports periodic switching is adopted to simulate the simulated moving bed (SMB) process. The effects of flow rate in Sections 2 and 3 and switching time on the operating performance parameters: purity, recovery, productivity and dcsorbent consumption are studied. A simulation approach is applied to simulate the operation and performance of the SMB. The model predicts the performance of the transient and cyclic steady state behavior to a reasonably good extent, and provides guidance operation condition of the SMB process.
基金Supported by the Natural Science Foundation of Ningbo(2009A610153)
文摘A new feeding mode for a simulated moving bed(SMB) is proposed.The outlet stream from zone II is collected at regular intervals.The concentration of the solution is increased by dissolving raw materials and then fed to zone III as the feed stream during the next collection interval.In this feeding mode,the concentration of the stream fed to zone III is identical to that of original feed,while in a conventional SMB,the feed is diluted by mix-ing with the outlet stream of zone II before feeding to zone III.The new feeding mode increases the inlet concentra-tion of zone III.A modeling investigation shows that higher inlet concentration of zone III increases the height of concentration band in SMB,improving the separation performance significantly.In comparison with the traditonal feeding mode,the new feeding mode increases the productivity by 23.52%and decreases the solvent consumption by 22.56%,so as to increase the raffinate and extract concentrations by 53.17%and 20.38%,respectively.The col-lection interval for the outlet stream from zone II has no effect on the separation performance after reaching the steady state,so that the collection interval can be increased to make the operation more convenient.
基金Supported by the National Natural Science Foundation of China (No. 20206027), the Natural Science Foundation of Zhejiang Province (No. 202046)the National 973 Program of China (No. 2002CB312200).
文摘Asynchronous simulated moving bed chromatography (ASMBC), known also as the 'VARICOL' process, is more efficient and flexible than the well-known and traditional simulated moving bed chromatography (SMBC). A detailed model of ASMBC, taking account of non-linear competitive isotherms, mass transfer parameters, and complex port switching schedule parameters, was developed to simulate the complex dynamics of ASMBC.The simulated performance is in close agreement with the experimental data of chiral separation reported in the literature. The simulation results show that ASMBC can achieve the performance similar to SMBC with fewer columns and can achieve better performance than SMBC with the same total column number. All design and operation parameters can be chosen correctly by numerical simulation. This detailed ASMBC model and the numerical technique are useful for design, operation, optimization and scale-up of ASMBC.
基金Supported by the Natural Science Foundation of Ningbo,China (2009A610153)Analysis & Measurement Foundation ofZhejiang (2009F70066)Education Bureau of Ningbo,China (Jd090222)
文摘A two-feed simulated moving bed(SMB) was proposed to utilize the stationary phase more effectively.Zone I is disconnected with zone Ⅱ and zone Ⅲ is disconnected with zone IV.Two feeds are added to zones I and Ⅲ,while two desorbents are added to zones Ⅱ and IV separately.The investigation on the movement of concentra-tion bands indicated that the tail of the strong retained solute and the front of the weak retained solute were eluted from zones I and Ⅲ orderly,so the streams from zones I and Ⅲ could be cut into different fractions to give the products with high purity.The two-feed SMB was used to separate α-tocopherol from its homologue mixture suc-cessfully,and could double the productivity if both feeds were identical to the feed in the conventional four-zone SMB.The solvent consumption could be reduced by reusing the middle fraction without solutes.