In this paper, we present an improved multi-order parameter model for multi-component model of polycrystalline solidification. We introduce an interpolation function in the phase field dynamical equation to obtain con...In this paper, we present an improved multi-order parameter model for multi-component model of polycrystalline solidification. We introduce an interpolation function in the phase field dynamical equation to obtain controllable grain boundary energy at large undercooling. The same interpolation function is also employed in the kinetics coefficient to allow for better control of grain boundary migration. Temperature dependent phase field parameters and noise terms are consistently coupled into the dynamics of a binary system in a manner that allows for quantitative simulations in the thin interface limit. The model is applied to multi-phase solidification in Al-Cu alloy, where a parabolic fitting method is employed to model the free energy of Al-Cu phases and two-phase nucleation is demonstrated in directional solidification.展开更多
The combustion efficiency of a diesel engine depends not only on spray characteristics but also on fuel-air mixing characteristics. Based on the original spray model, a new spray model is established in this paper to ...The combustion efficiency of a diesel engine depends not only on spray characteristics but also on fuel-air mixing characteristics. Based on the original spray model, a new spray model is established in this paper to accurately predict the diesel spray, and then a multi-component evaporation model is added into it. The model takes the influence of component concentration gradient and species on its evaporation rate in the liquid phase into account. This paper studies the spray characteristics(spray penetration, spray angle and spray morphology) and fuel-air mixing characteristics(spray area, spray volume and air entrainment mass) using the spray model, and the results are compared with the experimental results. The comparison shows that the simulated spray penetration and spray angle are close to the experimental results with the average deviations less than 3%. Moreover, this paper studies the spray area, spray volume and air entrainment using empirical formula under different conditions. And the maximum deviations of the spray volume, spray area and air entrainment mass are less than 5% as compared with the test values. Overall, this spray model can predict the diesel spray characteristics and fuel-air mixing characteristics under high injection pressure accurately.展开更多
Carbenes as one of the most important class of intermediates have been widely utilized in various organic synthetic transformations.Carbene insertion-initiated ring-opening reactions of cyclic ethers offer a valuable ...Carbenes as one of the most important class of intermediates have been widely utilized in various organic synthetic transformations.Carbene insertion-initiated ring-opening reactions of cyclic ethers offer a valuable strategy for constructing new carbon-oxygen bonds.In comparison with traditional thermal or metal-mediated carbene transfer reactions,visible-light-promoted multi-component reaction strategy provides a mild and eco-friendly approach to access densely functionalized molecules.Recently,visible-light-induced multi-component carbene transfer reactions of diazo compounds have been rapidly developed and attracted a great deal of research interest of chemists owing to their advantages of simple operation,mild condition,high atom economy and rich structural diversity.This paper summarizes the recent research progress on the visible-light-promoted multi-component carbene transfer reactions of diazo compounds via ring-opening of cyclic ethers with various nucleophiles.The reaction patterns of different nucleophiles and their corresponding mechanism are described in this review.The future research direction and challenges in this area are also discussed.展开更多
Adsorption is one of the several techniques that has been successfully used for dyes removal.Since most industrial colored effluents contain several components including dyes,having a strong knowledge about the scope ...Adsorption is one of the several techniques that has been successfully used for dyes removal.Since most industrial colored effluents contain several components including dyes,having a strong knowledge about the scope of competitive adsorption process is a powerful key to design an appropriate system.This is mainly because of the complexity brought about by the increasing number of parameters needed for process description which complicates not only the process modeling but also the experimental data collection.A multicomponent adsorption model should be based on fundamental soundness,speed,and simplicity of calculation.For such systems,competition will change the adsorbent-adsorbate attractions.Thus,there is major concern to develop an accurate and reliable method to predict dye adsorption behavior in multi-component systems.This article covers topics such as the theory of dyes adsorption in multi-component systems along with applicable models according to the consistent theories presented by researchers.展开更多
The degradation data of multi-components in missile is derived by periodical testing. How to use these data to assess the storage reliability (SR) of the whole missile is a difficult problem in current research. An SR...The degradation data of multi-components in missile is derived by periodical testing. How to use these data to assess the storage reliability (SR) of the whole missile is a difficult problem in current research. An SR assessment model based on competition failure of multi-components in missile is proposed. By analyzing the missile life profile and its storage failure feature, the key components in missile are obtained and the characteristics voltage is assumed to be its key performance parameter. When the voltage testing data of key components in missile are available, a state space model (SSM) is applied to obtain the whole missile degradation state, which is defined as the missile degradation degree (DD). A Wiener process with the time-scale model (TSM) is applied to build the degradation failure model with individual variability and nonlinearity. The Weibull distribution and proportional risk model are applied to build an outburst failure model with performance degradation effect. Furthermore, a competition failure model with the correlation between degradation failure and outburst failure is proposed. A numerical example with a set of missiles in storage is analyzed to demonstrate the accuracy and superiority of the proposed model.展开更多
On the basis of a multi-length scale modeling, a mixture-averaged multi-component/multiphase micro- segregation model was proposed without pre-set function for the micro-scale solute profile. The model explains the ef...On the basis of a multi-length scale modeling, a mixture-averaged multi-component/multiphase micro- segregation model was proposed without pre-set function for the micro-scale solute profile. The model explains the effect of morphologies of solidifying phases and solid back diffusion （SBD） on segregation, and covers the two limiting solidification cases of Scheil and Lever-rule models. A commercial Thermo-Calc software package/database was linked to the algorithms via its TQ6-interface for instantaneous determination of the related thermodynamic data of the multi-component alloys. The influences of cooling rate and other parameters on the solidification path and micro-segregation behavior were numerically investigated by sample calculation of the ternary AI-Cu-Mg alloys. A parallel experimental investigation on AI-Cu-Si alloys solidified under different cooling conditions was conducted to validate the theoretical model. Reasonable agreements were gained between the predicted solidification paths and the measured results.展开更多
Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer （salt deposit） in Qarhan Salt Lake was studied by using the Pitzer theory. Th...Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer （salt deposit） in Qarhan Salt Lake was studied by using the Pitzer theory. The concept of macroscopic solubility product and its relation with accumulated ore dissolving ratio were presented, which are used in the numerical model of dissolving and driving exploitation of potassium salt in Qarhan Salt Lake. And secondly, with a model forming idea of transport model for reacting solutes in the multi-component fresh groundwater system in porous media being a reference, a two-dimensional transport model coupled with a series of chemical reactions in a multi-component brine porous system （salt deposits） was developed by using the Pitzer theory. Meanwhile, the model was applied to model potassium/magnesium transport in Qarhan Salt Lake in order to study the transfer law of solid and liquid phases in the dissolving and driving process and to design the optimal injection/abstraction strategy for dissolving and capturing maximum Potassium/ Magnesium in the mining of salt deposits in Qarhan Salt Lake.展开更多
A modified multi-component solute diffusion equation described with diffusion flux was derived in detail based on the classical MaxwellStefan diffusion theory. The friction between the solute species and the soil skel...A modified multi-component solute diffusion equation described with diffusion flux was derived in detail based on the classical MaxwellStefan diffusion theory. The friction between the solute species and the soil skeleton wall, which is proportional to the relative velocity between the solute species and the soil skeleton, is introduced. The chemical potential gradient is considered the driving force. A one-dimensional model for transport of multi-component solute in saturated soil was developed based on the modified diffusion equation and the modified competitive Langmuir adsorption equation. Numerical calculation of a case of two heavy metal ion species, which was chosen as an example, was carried out using the finite element software COMSOL Multiphysics. A comparative analysis was performed between the multi-component solute transport model developed in this study and the convection-diffusion transport model of single-component solute based on Fick's law. Simulation results show that the transport behavior of each species in a multi-component solute system is different from that in a single-component system, and the friction characteristics considered in the developed model contribute to obstructing the movement of each solute component. At the same time,the influence of modified competitive Langmuir adsorption on solute transport was investigated. These research results can provide strong theoretical support for the design of antifouling barriers in landfills and the maintenance of operation stability.展开更多
An empiric equation, G ex H 2O /(1- x (H 2O)) 2= α+β·x (H 2O)/ln( x (H 2O)), representing the relation between the excess free energy G ex H 2O and mole fraction of water x (H 2O) in binary electrolyte solution...An empiric equation, G ex H 2O /(1- x (H 2O)) 2= α+β·x (H 2O)/ln( x (H 2O)), representing the relation between the excess free energy G ex H 2O and mole fraction of water x (H 2O) in binary electrolyte solution, was developed and the parameters α and β in the equation were determined by fitting the experimental data for some binary aqueous systems of electrolytes such as CuCl 2, NiCl 2, HCl, NaCl, KCl, CaCl 2 and BaCl 2. The activities of water in such ternary and multi component systems composed of 7 binaries as HClH 2OCuCl 2, HClH 2ONiCl 2, HClH 2ONaCl, NaClH 2OKCl, NaCl H 2OCaCl 2, KClH 2OCaCl 2, NaClH 2OBaCl 2, KClH 2OCaCl 2 and NaClH 2OKClBaCl 2 were predicted by a simplified sub regular solution model developed by authors from the corresponding binary systems. The predicted results are in good agreement with the measured ones. [展开更多
Overview about three key contents of condition-based maintenance decision-making of a multi-component system is analyzed based on maintenance optimization and modeling. The component deterioration model, the correlati...Overview about three key contents of condition-based maintenance decision-making of a multi-component system is analyzed based on maintenance optimization and modeling. The component deterioration model, the correlation between the degraded components and the system configuration are analyzed separately in the deterioration model of multi-component system.For the maintenance polices,the opportunistic maintenance( OM)policy and the grouping maintenance( GM) policy are analyzed and summarized in combination with the condition-based maintenance( CBM) modeling of multi-component system. It is put forward that CBM modeling of multi-component system should be further researched based on the inspection interval and the maintenance threshold of multi-component system in availability.展开更多
A chemical sequential separation procedure for sediment has been developed for the adsorptive investigation of hydrophobic organic compounds(HOCs) including four fractions: carbonate, hydrous metallic oxide(ferric oxi...A chemical sequential separation procedure for sediment has been developed for the adsorptive investigation of hydrophobic organic compounds(HOCs) including four fractions: carbonate, hydrous metallic oxide(ferric oxide, manganese oxide and alumina), clay and organic matter. Adsorption isotherms of these hydrophobic solute probes, such as hexachloroethane, lindane and 1,2,4,5 tetrachlorobenzene were measured for model sorbents, model and natural sediment, and the latter of which was pretreated with the simplified sequential separation method. The linear and Langmuir models are applied to correlate the experimental data of humic substance and other model sorbents respectively. Multi component Adsorptive Model (MCAM) was used to simulate adsorption isotherms of model and natural sediment. The results reveal that(1) the separation efficiencies of carbonate, organic matter, ferric oxide, manganese oxide and alumina are 98.1%, 72.5%, 82.6%, 93.5% and 83.3%, respectively; (2) except for removing metallic oxide, the external structure of sediment is not changed greatly after separation; (3) the MCAM correlates the data of adsorption isotherm rather well with the maximal relative deviations of 9.76%, 6.78% and 9.53% for hexachloroethane, lindane and 1,2,4,5 tetrachlorobenaze in model sediment, respectively. The MCAM can clearly give expression to the different adsorptive mechanisms for HOCs in organic and inorganic matter, though the experimental data in each component are not very accurate due to the sequential separation efficiency.展开更多
A geometric model for calculating the viscosity of multi-component melt fromrelated binary physicochemistry properties was derived based on Chou's thermodynamic geometricmodel. The model derived was employed to pr...A geometric model for calculating the viscosity of multi-component melt fromrelated binary physicochemistry properties was derived based on Chou's thermodynamic geometricmodel. The model derived was employed to predict the viscosity of Au-Ag-Cu alloys. The results showthat the calculated viscosity for Au-Ag-Cu alloys meet the experimental data very well. In addition,the viscosity of Bi-Sn-In systems was also predicted with this model.展开更多
Three-dimensional atom probe （3DAP） technique has been used to study the nucleation and growth of M23C6 carbide in a supersaturated multi-component Fe-based alloy aged at 800℃. 3D images indicate that the radius of...Three-dimensional atom probe （3DAP） technique has been used to study the nucleation and growth of M23C6 carbide in a supersaturated multi-component Fe-based alloy aged at 800℃. 3D images indicate that the radius of M23C6 carbide after ageing for 10 min is about 9 nm. Concentration profiles of alloy elements in the carbide are also obtained. Combined with PANDAT and Thermo-Calc software, attempts to model the early stages of precipitation are present. The calculated particle size and composition of M23C6 carbide is in good agreement with 3DAP data.展开更多
In the realm of nonlinear integrable systems,the presence of decompositions facilitates the establishment of linear superposition solutions and the derivation of novel coupled systems exhibiting nonlinear integrabilit...In the realm of nonlinear integrable systems,the presence of decompositions facilitates the establishment of linear superposition solutions and the derivation of novel coupled systems exhibiting nonlinear integrability.By focusing on single-component decompositions within the potential BKP hierarchy,it has been observed that specific linear superpositions of decomposition solutions remain consistent with the underlying equations.Moreover,through the implementation of multi-component decompositions within the potential BKP hierarchy,successful endeavors have been undertaken to formulate linear superposition solutions and novel coupled Kd V-type systems that resist decoupling via alterations in dependent variables.展开更多
Multi-component transition group metal borides(MMB_(2))have become a research hotspot due to their new composition design concepts and superior properties compared with conventional ceramics.Most of the current method...Multi-component transition group metal borides(MMB_(2))have become a research hotspot due to their new composition design concepts and superior properties compared with conventional ceramics.Most of the current methods,however,are complicated and time-consuming,the mass production remains a chal-lenge.Herein,we proposed a new high-efficiency strategy for synthesis of MMB_(2)using molten aluminum as the medium for the first time.The prepared Al-containing multi-component borides(TiZrHfNbTa)B_(2)microcrystals had a homogeneous composition with a hexagonal AlB_(2)structure and ultra-high hardness value of∼35.3 GPa,which was much higher than data reported in the literature and the rule of mix-ture estimations.Furthermore,combined with the First-principles calculation results,we found that the Poisson’s ratio(v)values exhibit a clearly ascending trend from 0.17 at VEC=3.5 to 0.18 at VEC=3.4,then to 0.201 at VEC=3.2 with the increasing of Al content.This indicates that the intrinsic toughness of multi-component boride microcrystals is obviously enhanced by the trace-doped Al elements.Besides,the fabricated Al-containing multi-component boride microcrystals have superior oxidation activation en-ergy and structural stability.The enhanced oxidation resistance is mainly attributed to the formation of a protective Al2 O3 oxide layer and the lattice distortion,both of which lead to sluggish diffusion of O_(2).These findings propose a new unexplored avenue for the fabrication of MMB_(2)materials with supe-rior comprehensive performance including ultra-hardness and intrinsically improved thermo-mechanical properties.展开更多
The hardening mechanism of multi-component carbide ceramic has been investigated in detail through a combination of experiments,first-principles calculations,and ab initio molecular dynamics(AIMD).Eight dense carbide ...The hardening mechanism of multi-component carbide ceramic has been investigated in detail through a combination of experiments,first-principles calculations,and ab initio molecular dynamics(AIMD).Eight dense carbide ceramics were prepared by spark plasma sintering.Compulsorily,all the multi-component carbide samples have similar carbon content,grain size,and uniform compositional distribution by optimizing the sintering process and adjusting the initial raw materials.Hence the interference of other factors on the hardness of multi-component carbide ceramics is minimized.The effects of changes in the elemental species on the lattice distortion,bond strength,bonding properties,and electronic structure of multi-component carbide ceramics were thoroughly analyzed.These results show that the hardening of multi-component carbide ceramic can be attributed to the coupling of solid solution strengthening caused by lattice distortion and covalent bond strengthening.Besides,the“host lattice”of multi-component carbide ceramics is defined based on the concept of supporting lattice.The present work is of great significance for a deeper understanding of the hardening mechanism of multi-component carbide ceramics and the design of superhard multi-component carbides.展开更多
A convenient photocatalytic multi-component reaction of alkenes,quinoxalin-2(1H)-ones,and diazo compounds has been developed in the presence of water.A number of ester-containing quinoxalin-2(1H)-ones could be efficie...A convenient photocatalytic multi-component reaction of alkenes,quinoxalin-2(1H)-ones,and diazo compounds has been developed in the presence of water.A number of ester-containing quinoxalin-2(1H)-ones could be efficiently obtained in moderate to good yields at room temperature.This metal-free visiblelight-driven tandem reaction was conducted through proton-coupled electron transfer(PCET)process using water as the hydrogen donor and 1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene(4CzIPN)as the photocatalyst.展开更多
The construction of a borehole correction library for the multi-component array induction tool in deviated boreholes involves extensive 3D forward modeling and typically requires significant computational resources.To...The construction of a borehole correction library for the multi-component array induction tool in deviated boreholes involves extensive 3D forward modeling and typically requires significant computational resources.To address this challenge,this paper proposes an efficient algorithm for the library construction based on the 3D finite volume method(FVM)and contraction high-order Born approximation(CHBA).First,the electromagnetic(EM)field solution region is divided into two symmetric subregions based on the symmetry of the correction library model and the EM field.Numerical solution on a single subregion,combined with the symmetry boundary extension technique,enhances the efficiency of the 3D numerical simulation.Second,three reference mud conductivities are selected based on the mud conductivity range,and the CHBA is applied to calculate the EM responses at all mud conductivity nodes rapidly.Third,the number of forward simulation operations is further reduced by exploiting the principle that models with different frequencies and different formation conductivities have equivalent EM responses.Numerical experiments demonstrate the correctness and feasibility of the proposed algorithm.Compared to conventional 3D modeling,the proposed algorithm achieves approximately a 20-fold speedup in library construction,effectively reducing computational resources and time consumption.展开更多
The dynamics of inviscid multi-component relativistic fluids may be modeled by the relativistic Euler equations, augmented by one (or more) additional species equation(s). We use the high-resolution staggered central ...The dynamics of inviscid multi-component relativistic fluids may be modeled by the relativistic Euler equations, augmented by one (or more) additional species equation(s). We use the high-resolution staggered central schemes to solve these equations. The equilibrium states for each component are coupled in space and time to have a common temperature and velocity. The current schemes can handle strong shocks and the oscillations near the interfaces are negligible, which usually happens in the multi-component flows. The schemes also guarantee the exact mass conservation for each component, the exact conservation of total momentum, and energy in the whole particle system. The central schemes are robust, reliable, compact and easy to implement. Several one- and two-dimensional numerical test cases are included in this paper, which validate the application of these schemes to relativistic multi-component flows.展开更多
基金financial support by the National Foundation of China under Grant No. 51875131Nikolas Provatas acknowledges financial support by the Canada Research Chairs (CRC) Programsupported by the China Scholarship Council as a Graduate Trainee at McGill University。
文摘In this paper, we present an improved multi-order parameter model for multi-component model of polycrystalline solidification. We introduce an interpolation function in the phase field dynamical equation to obtain controllable grain boundary energy at large undercooling. The same interpolation function is also employed in the kinetics coefficient to allow for better control of grain boundary migration. Temperature dependent phase field parameters and noise terms are consistently coupled into the dynamics of a binary system in a manner that allows for quantitative simulations in the thin interface limit. The model is applied to multi-phase solidification in Al-Cu alloy, where a parabolic fitting method is employed to model the free energy of Al-Cu phases and two-phase nucleation is demonstrated in directional solidification.
基金the Postgraduate Research & Practice Innovation Program of Jiangsu Province(No.SJCX17 0597)the Postgraduate Research & Practice Innovation Program of Jiangsu University of Science & Technology(No.YSJ16S-05)the National Natural Science Foundation of China(No.51606100)
文摘The combustion efficiency of a diesel engine depends not only on spray characteristics but also on fuel-air mixing characteristics. Based on the original spray model, a new spray model is established in this paper to accurately predict the diesel spray, and then a multi-component evaporation model is added into it. The model takes the influence of component concentration gradient and species on its evaporation rate in the liquid phase into account. This paper studies the spray characteristics(spray penetration, spray angle and spray morphology) and fuel-air mixing characteristics(spray area, spray volume and air entrainment mass) using the spray model, and the results are compared with the experimental results. The comparison shows that the simulated spray penetration and spray angle are close to the experimental results with the average deviations less than 3%. Moreover, this paper studies the spray area, spray volume and air entrainment using empirical formula under different conditions. And the maximum deviations of the spray volume, spray area and air entrainment mass are less than 5% as compared with the test values. Overall, this spray model can predict the diesel spray characteristics and fuel-air mixing characteristics under high injection pressure accurately.
基金Science and Technology Foundation of Guizhou Province(No.QKHJC-ZK[2024]654)Guizhou Provincial University Key Laboratory of Advanced Functional Electronic Materials(No.QJ[2023]021).
文摘Carbenes as one of the most important class of intermediates have been widely utilized in various organic synthetic transformations.Carbene insertion-initiated ring-opening reactions of cyclic ethers offer a valuable strategy for constructing new carbon-oxygen bonds.In comparison with traditional thermal or metal-mediated carbene transfer reactions,visible-light-promoted multi-component reaction strategy provides a mild and eco-friendly approach to access densely functionalized molecules.Recently,visible-light-induced multi-component carbene transfer reactions of diazo compounds have been rapidly developed and attracted a great deal of research interest of chemists owing to their advantages of simple operation,mild condition,high atom economy and rich structural diversity.This paper summarizes the recent research progress on the visible-light-promoted multi-component carbene transfer reactions of diazo compounds via ring-opening of cyclic ethers with various nucleophiles.The reaction patterns of different nucleophiles and their corresponding mechanism are described in this review.The future research direction and challenges in this area are also discussed.
文摘Adsorption is one of the several techniques that has been successfully used for dyes removal.Since most industrial colored effluents contain several components including dyes,having a strong knowledge about the scope of competitive adsorption process is a powerful key to design an appropriate system.This is mainly because of the complexity brought about by the increasing number of parameters needed for process description which complicates not only the process modeling but also the experimental data collection.A multicomponent adsorption model should be based on fundamental soundness,speed,and simplicity of calculation.For such systems,competition will change the adsorbent-adsorbate attractions.Thus,there is major concern to develop an accurate and reliable method to predict dye adsorption behavior in multi-component systems.This article covers topics such as the theory of dyes adsorption in multi-component systems along with applicable models according to the consistent theories presented by researchers.
基金supported by the National Defense Foundation of China(71601183)
文摘The degradation data of multi-components in missile is derived by periodical testing. How to use these data to assess the storage reliability (SR) of the whole missile is a difficult problem in current research. An SR assessment model based on competition failure of multi-components in missile is proposed. By analyzing the missile life profile and its storage failure feature, the key components in missile are obtained and the characteristics voltage is assumed to be its key performance parameter. When the voltage testing data of key components in missile are available, a state space model (SSM) is applied to obtain the whole missile degradation state, which is defined as the missile degradation degree (DD). A Wiener process with the time-scale model (TSM) is applied to build the degradation failure model with individual variability and nonlinearity. The Weibull distribution and proportional risk model are applied to build an outburst failure model with performance degradation effect. Furthermore, a competition failure model with the correlation between degradation failure and outburst failure is proposed. A numerical example with a set of missiles in storage is analyzed to demonstrate the accuracy and superiority of the proposed model.
基金supported by the Open Project of State Key Laboratory of Powder Metallurgy of Central South University (Grant No. 2008112042)the National Natural Science Foundation of China (Grant Nos. 51071062 and 50801019)Project 973 (Grant No. 2011CB610406)
文摘On the basis of a multi-length scale modeling, a mixture-averaged multi-component/multiphase micro- segregation model was proposed without pre-set function for the micro-scale solute profile. The model explains the effect of morphologies of solidifying phases and solid back diffusion （SBD） on segregation, and covers the two limiting solidification cases of Scheil and Lever-rule models. A commercial Thermo-Calc software package/database was linked to the algorithms via its TQ6-interface for instantaneous determination of the related thermodynamic data of the multi-component alloys. The influences of cooling rate and other parameters on the solidification path and micro-segregation behavior were numerically investigated by sample calculation of the ternary AI-Cu-Mg alloys. A parallel experimental investigation on AI-Cu-Si alloys solidified under different cooling conditions was conducted to validate the theoretical model. Reasonable agreements were gained between the predicted solidification paths and the measured results.
基金the National Natural Science Foundation of China
文摘Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer （salt deposit） in Qarhan Salt Lake was studied by using the Pitzer theory. The concept of macroscopic solubility product and its relation with accumulated ore dissolving ratio were presented, which are used in the numerical model of dissolving and driving exploitation of potassium salt in Qarhan Salt Lake. And secondly, with a model forming idea of transport model for reacting solutes in the multi-component fresh groundwater system in porous media being a reference, a two-dimensional transport model coupled with a series of chemical reactions in a multi-component brine porous system （salt deposits） was developed by using the Pitzer theory. Meanwhile, the model was applied to model potassium/magnesium transport in Qarhan Salt Lake in order to study the transfer law of solid and liquid phases in the dissolving and driving process and to design the optimal injection/abstraction strategy for dissolving and capturing maximum Potassium/ Magnesium in the mining of salt deposits in Qarhan Salt Lake.
基金supported by the National Basic Research Program of China(Grant No.2014CB744702)the Beijing Natural Science Foundation Key Projects(Grant No.8171001)the National Natural Science Foundation of China(Grant No.51678012)
文摘A modified multi-component solute diffusion equation described with diffusion flux was derived in detail based on the classical MaxwellStefan diffusion theory. The friction between the solute species and the soil skeleton wall, which is proportional to the relative velocity between the solute species and the soil skeleton, is introduced. The chemical potential gradient is considered the driving force. A one-dimensional model for transport of multi-component solute in saturated soil was developed based on the modified diffusion equation and the modified competitive Langmuir adsorption equation. Numerical calculation of a case of two heavy metal ion species, which was chosen as an example, was carried out using the finite element software COMSOL Multiphysics. A comparative analysis was performed between the multi-component solute transport model developed in this study and the convection-diffusion transport model of single-component solute based on Fick's law. Simulation results show that the transport behavior of each species in a multi-component solute system is different from that in a single-component system, and the friction characteristics considered in the developed model contribute to obstructing the movement of each solute component. At the same time,the influence of modified competitive Langmuir adsorption on solute transport was investigated. These research results can provide strong theoretical support for the design of antifouling barriers in landfills and the maintenance of operation stability.
文摘An empiric equation, G ex H 2O /(1- x (H 2O)) 2= α+β·x (H 2O)/ln( x (H 2O)), representing the relation between the excess free energy G ex H 2O and mole fraction of water x (H 2O) in binary electrolyte solution, was developed and the parameters α and β in the equation were determined by fitting the experimental data for some binary aqueous systems of electrolytes such as CuCl 2, NiCl 2, HCl, NaCl, KCl, CaCl 2 and BaCl 2. The activities of water in such ternary and multi component systems composed of 7 binaries as HClH 2OCuCl 2, HClH 2ONiCl 2, HClH 2ONaCl, NaClH 2OKCl, NaCl H 2OCaCl 2, KClH 2OCaCl 2, NaClH 2OBaCl 2, KClH 2OCaCl 2 and NaClH 2OKClBaCl 2 were predicted by a simplified sub regular solution model developed by authors from the corresponding binary systems. The predicted results are in good agreement with the measured ones. [
文摘Overview about three key contents of condition-based maintenance decision-making of a multi-component system is analyzed based on maintenance optimization and modeling. The component deterioration model, the correlation between the degraded components and the system configuration are analyzed separately in the deterioration model of multi-component system.For the maintenance polices,the opportunistic maintenance( OM)policy and the grouping maintenance( GM) policy are analyzed and summarized in combination with the condition-based maintenance( CBM) modeling of multi-component system. It is put forward that CBM modeling of multi-component system should be further researched based on the inspection interval and the maintenance threshold of multi-component system in availability.
文摘A chemical sequential separation procedure for sediment has been developed for the adsorptive investigation of hydrophobic organic compounds(HOCs) including four fractions: carbonate, hydrous metallic oxide(ferric oxide, manganese oxide and alumina), clay and organic matter. Adsorption isotherms of these hydrophobic solute probes, such as hexachloroethane, lindane and 1,2,4,5 tetrachlorobenzene were measured for model sorbents, model and natural sediment, and the latter of which was pretreated with the simplified sequential separation method. The linear and Langmuir models are applied to correlate the experimental data of humic substance and other model sorbents respectively. Multi component Adsorptive Model (MCAM) was used to simulate adsorption isotherms of model and natural sediment. The results reveal that(1) the separation efficiencies of carbonate, organic matter, ferric oxide, manganese oxide and alumina are 98.1%, 72.5%, 82.6%, 93.5% and 83.3%, respectively; (2) except for removing metallic oxide, the external structure of sediment is not changed greatly after separation; (3) the MCAM correlates the data of adsorption isotherm rather well with the maximal relative deviations of 9.76%, 6.78% and 9.53% for hexachloroethane, lindane and 1,2,4,5 tetrachlorobenaze in model sediment, respectively. The MCAM can clearly give expression to the different adsorptive mechanisms for HOCs in organic and inorganic matter, though the experimental data in each component are not very accurate due to the sequential separation efficiency.
基金This work is financially supported by the National Natural Science Foundation of China (Nos. 59674028 and 20101006).
文摘A geometric model for calculating the viscosity of multi-component melt fromrelated binary physicochemistry properties was derived based on Chou's thermodynamic geometricmodel. The model derived was employed to predict the viscosity of Au-Ag-Cu alloys. The results showthat the calculated viscosity for Au-Ag-Cu alloys meet the experimental data very well. In addition,the viscosity of Bi-Sn-In systems was also predicted with this model.
基金supported by the National Natural Science Foundation of China (Nos. 50971137 and 50934011)
文摘Three-dimensional atom probe （3DAP） technique has been used to study the nucleation and growth of M23C6 carbide in a supersaturated multi-component Fe-based alloy aged at 800℃. 3D images indicate that the radius of M23C6 carbide after ageing for 10 min is about 9 nm. Concentration profiles of alloy elements in the carbide are also obtained. Combined with PANDAT and Thermo-Calc software, attempts to model the early stages of precipitation are present. The calculated particle size and composition of M23C6 carbide is in good agreement with 3DAP data.
基金sponsored by the National Natural Science Foundations of China under Grant Nos.12301315,12235007,11975131the Zhejiang Provincial Natural Science Foundation of China under Grant No.LQ20A010009。
文摘In the realm of nonlinear integrable systems,the presence of decompositions facilitates the establishment of linear superposition solutions and the derivation of novel coupled systems exhibiting nonlinear integrability.By focusing on single-component decompositions within the potential BKP hierarchy,it has been observed that specific linear superpositions of decomposition solutions remain consistent with the underlying equations.Moreover,through the implementation of multi-component decompositions within the potential BKP hierarchy,successful endeavors have been undertaken to formulate linear superposition solutions and novel coupled Kd V-type systems that resist decoupling via alterations in dependent variables.
基金financially supported by the National Natural Science Foundation of China(Nos.52271033 and 52071179)the Key program of National Natural Science Foundation of China(No.51931003)+2 种基金Natural Science Foundation of Jiangsu Province,China(No.BK20221493)Jiangsu Province Leading Edge Technology Basic Research Major Project(No.BK20222014)Foundation of“Qinglan Project”for Colleges and Universities in Jiangsu Province.
文摘Multi-component transition group metal borides(MMB_(2))have become a research hotspot due to their new composition design concepts and superior properties compared with conventional ceramics.Most of the current methods,however,are complicated and time-consuming,the mass production remains a chal-lenge.Herein,we proposed a new high-efficiency strategy for synthesis of MMB_(2)using molten aluminum as the medium for the first time.The prepared Al-containing multi-component borides(TiZrHfNbTa)B_(2)microcrystals had a homogeneous composition with a hexagonal AlB_(2)structure and ultra-high hardness value of∼35.3 GPa,which was much higher than data reported in the literature and the rule of mix-ture estimations.Furthermore,combined with the First-principles calculation results,we found that the Poisson’s ratio(v)values exhibit a clearly ascending trend from 0.17 at VEC=3.5 to 0.18 at VEC=3.4,then to 0.201 at VEC=3.2 with the increasing of Al content.This indicates that the intrinsic toughness of multi-component boride microcrystals is obviously enhanced by the trace-doped Al elements.Besides,the fabricated Al-containing multi-component boride microcrystals have superior oxidation activation en-ergy and structural stability.The enhanced oxidation resistance is mainly attributed to the formation of a protective Al2 O3 oxide layer and the lattice distortion,both of which lead to sluggish diffusion of O_(2).These findings propose a new unexplored avenue for the fabrication of MMB_(2)materials with supe-rior comprehensive performance including ultra-hardness and intrinsically improved thermo-mechanical properties.
基金financially supported by the National Natural Science Foundation of China(Nos.52032002,52372060,51972081,and U22A20128)the National Safety Academic Foundation(No.U2130103)+1 种基金the National Key Laboratory of Precision Hot Processing of Metals(No.61429092300305)Heilongjiang Touyan Team Program are gratefully acknowledged.
文摘The hardening mechanism of multi-component carbide ceramic has been investigated in detail through a combination of experiments,first-principles calculations,and ab initio molecular dynamics(AIMD).Eight dense carbide ceramics were prepared by spark plasma sintering.Compulsorily,all the multi-component carbide samples have similar carbon content,grain size,and uniform compositional distribution by optimizing the sintering process and adjusting the initial raw materials.Hence the interference of other factors on the hardness of multi-component carbide ceramics is minimized.The effects of changes in the elemental species on the lattice distortion,bond strength,bonding properties,and electronic structure of multi-component carbide ceramics were thoroughly analyzed.These results show that the hardening of multi-component carbide ceramic can be attributed to the coupling of solid solution strengthening caused by lattice distortion and covalent bond strengthening.Besides,the“host lattice”of multi-component carbide ceramics is defined based on the concept of supporting lattice.The present work is of great significance for a deeper understanding of the hardening mechanism of multi-component carbide ceramics and the design of superhard multi-component carbides.
基金supported by Sichuan Science and Technology Program(No.2023NSFSC0101)the 2024 Provincial platform project of Chengdu Normal University(No.GNFZ202404)+1 种基金Natural Science Foundation of Shandong Province(No.ZR2021MB065)National Natural Science Foundation of China(No.22101237)。
文摘A convenient photocatalytic multi-component reaction of alkenes,quinoxalin-2(1H)-ones,and diazo compounds has been developed in the presence of water.A number of ester-containing quinoxalin-2(1H)-ones could be efficiently obtained in moderate to good yields at room temperature.This metal-free visiblelight-driven tandem reaction was conducted through proton-coupled electron transfer(PCET)process using water as the hydrogen donor and 1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene(4CzIPN)as the photocatalyst.
基金funded by the Forward-looking Basic Science and Technology Research Project of PetroChina Company Limited(2025DJ104)the National Natural Science Foundation of China(42174150)the National Science and Technology Major Project for Deep Earth Probe and Mineral Resources Exploration(2024ZD1003005).
文摘The construction of a borehole correction library for the multi-component array induction tool in deviated boreholes involves extensive 3D forward modeling and typically requires significant computational resources.To address this challenge,this paper proposes an efficient algorithm for the library construction based on the 3D finite volume method(FVM)and contraction high-order Born approximation(CHBA).First,the electromagnetic(EM)field solution region is divided into two symmetric subregions based on the symmetry of the correction library model and the EM field.Numerical solution on a single subregion,combined with the symmetry boundary extension technique,enhances the efficiency of the 3D numerical simulation.Second,three reference mud conductivities are selected based on the mud conductivity range,and the CHBA is applied to calculate the EM responses at all mud conductivity nodes rapidly.Third,the number of forward simulation operations is further reduced by exploiting the principle that models with different frequencies and different formation conductivities have equivalent EM responses.Numerical experiments demonstrate the correctness and feasibility of the proposed algorithm.Compared to conventional 3D modeling,the proposed algorithm achieves approximately a 20-fold speedup in library construction,effectively reducing computational resources and time consumption.
文摘The dynamics of inviscid multi-component relativistic fluids may be modeled by the relativistic Euler equations, augmented by one (or more) additional species equation(s). We use the high-resolution staggered central schemes to solve these equations. The equilibrium states for each component are coupled in space and time to have a common temperature and velocity. The current schemes can handle strong shocks and the oscillations near the interfaces are negligible, which usually happens in the multi-component flows. The schemes also guarantee the exact mass conservation for each component, the exact conservation of total momentum, and energy in the whole particle system. The central schemes are robust, reliable, compact and easy to implement. Several one- and two-dimensional numerical test cases are included in this paper, which validate the application of these schemes to relativistic multi-component flows.
