In this paper,based on the structure-behavior coupling paradigm,we propose the concept of deviation of central town to describe the geography-market distance between farmers and the central regional town.Using the sur...In this paper,based on the structure-behavior coupling paradigm,we propose the concept of deviation of central town to describe the geography-market distance between farmers and the central regional town.Using the survey data from farmers in a poverty-stricken village in Western China,the impact of deviation of central town on farmers'livelihood strategies is analyzed.The results indicate that farmers exhibit spatial heterogeneity in their livelihood strategies.Those with low deviation show a strong inclination towards working in urban areas,while those with high deviation tend to integrate into rural industries.The deviation of central town influences farmers'livelihood strategies through the information effect,which is also affected by the level of rural infrastructure and public services,labor force structure and assistance policies.The obtained results are expected to provide guidance for promoting the integration of farmers into the urban-rural economic cycle based on sustainable livelihoods and connecting poverty alleviation with rural revitalization.展开更多
Based on the entropy function, a two-dimensional phase field model of binary alloys was established. Meanwhile, an explicit difference method with uniform grid was adopted to solve the phase field and solute field con...Based on the entropy function, a two-dimensional phase field model of binary alloys was established. Meanwhile, an explicit difference method with uniform grid was adopted to solve the phase field and solute field controlled equations. And the alternating direction implicit(ADI) algorithm for solving temperature field controlled equation was also employed to avoid the restriction of time step. Some characteristics of the Ni-Cu alloy were captured in the process of non-isothermal solidification, and the comparative analysis of the isothermal and the non-isothermal solidification was investigated. The simulation results indicate that the non-isothermal model is favorable to simulate the real solidification process of binary alloys, and when the thermal diffusivity decreases, the non-isothermal phase-field model is gradually consistent with the isothermal phase-field model.展开更多
A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in ternary and binary strong electrolyte aqueous solution was developed based on the ion and molecule coexi...A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in ternary and binary strong electrolyte aqueous solution was developed based on the ion and molecule coexistence theory and verified in four kinds of binary aqueous solutions and two kinds of ternary aqueous solutions. The calculated mass action concentrations of structural units or ion couples in four binary aqueous solutions and two ternary solutions at 298.15 K have good agreement with the reported activity data from literatures after shifting the standard state and concentration unit. Therefore, the calculated mass action concentrations of structural units or ion couples from the developed universal thermodynamic model for ternary and binary aqueous solutions can be applied to predict reaction ability of components in ternary and binary strong electrolyte aqueous solutions. It is also proved that the assumptions applied in the developed thermodynamic model are correct and reasonable, i.e., strong electrolyte aqueous solution is composed of cations and anions as simple ions, H2O as simple molecule and other hydrous salt compounds as complex molecules. The calculated mass action concentrations of structural units or ion couples in ternary and binary strong electrolyte aqueous solutions strictly follow the mass action law.展开更多
The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 a...The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 and λ 2, which are represented as a linear function of temperature, T . The molar excess Gibbs free energy, G m E, can be written in the form G m E= x A x B[( λ 11 + λ 12 T )+( λ 21 + λ 22 T ) x B ] The calculation is carried out numerically for three immiscible binary alloy systems, Al Pb, Cu Tl and In V. The agreement between the calculated and experimentally determined values of activity coefficient is excellent.展开更多
Phase field method offers the prospect of being able to perform realistic numerical experiments on dendrite growth in metallic systems. In this study, the growth process of multiple dendrites in AI-2-mole-%-Si binary ...Phase field method offers the prospect of being able to perform realistic numerical experiments on dendrite growth in metallic systems. In this study, the growth process of multiple dendrites in AI-2-mole-%-Si binary alloy under isothermal solidification was simulated using phase field model. The simulation results showed the impingement of arbitrarily oriented crystals and the competitive growth among the grains during solidification. With the increase of growing time, the grains begin to coalesce and impinge the adjacent grains. When the dendrites start to impinge, the dendrite growth is obviously inhibited.展开更多
For the magnetized fluidized bed(MFB)with the binary mixture of Geldart-B magnetizable and nonmagnetizable particles,the magnetically induced segregation between these two kinds of particles occurs at high magnetic fi...For the magnetized fluidized bed(MFB)with the binary mixture of Geldart-B magnetizable and nonmagnetizable particles,the magnetically induced segregation between these two kinds of particles occurs at high magnetic field intensities(H),leading to the deterioration of the fluidization quality.The critical intensity(H_(ms))above which such segregation commences varies with the gas velocity(U_g).This work focuses on establishing a segregation model to theoretically derive the H_(ms)–U_g relationship.In a magnetic field,the magnetizable particles form agglomerates.The magnetically induced segregation in essence refers to the size segregation of the binary mixture of agglomerates and nonmagnetizable particles.Consequently,the segregation model was established in two steps:first,the size of agglomerates(d_A)was calculated by the force balance model;then,the H_(ms)–U_g relationship was obtained by substituting the expression of d_Ainto the basic size segregation model for binary mixtures.As per the force balance model,the cohesive and collision forces were 1_2 orders of magnitude greater than the other forces exerted on the agglomerates.Therefore,the balance between these two forces largely determined d_A.The calculated d_A increased with increasing H and decreasing U_g,agreeing qualitatively with the experimental observation.The calculated H_(ms)–U_ g relationship agreed reasonably with the experimental data,indicating that the present segregation model could predict well the segregation behavior in the MFB with the binary mixture.展开更多
At present,the environment impact of refrigerants has been given attention.The binary mixture R152a/R1234ze(E)is an environmentally friendly refrigerant,which solves problems of poor cooling performance of the R1234ze...At present,the environment impact of refrigerants has been given attention.The binary mixture R152a/R1234ze(E)is an environmentally friendly refrigerant,which solves problems of poor cooling performance of the R1234ze(E)cycle and flammability of R152a.In order to obtain its basic thermal and physical parameters,it is necessary to carry out vapor-liquid equilibrium(VLE)research,and the cubic equation of states(EOS)is often used in the calculation of the thermodynamic properties of mixtures.In this paper,the VLE predicted models for R152a/R1234ze(E)in the temperature range of 298.15-328.15 K were constructed using Soave-Redlich-Kwong(SRK),Peng-Robinson(PR)equations of state(EOS)combined with van der Waals(vd W),Huron-Vidal(HV)mixing rules,respectively.The equilibrium pressures and vapor-phase mole fractions of the models were obtained by calculation,and all four models presented an extreme correlation with the experimental data.And it can be concluded that the calculated results of the PR+HV model are closer to the experimental data than those of the other three models,with the average absolute deviation of 0.0027 for vapor-phase mole fraction(AAD(ycal))and the average absolute relative deviation of 0.243%for equilibrium pressure(AARD(pcal)),which provides a basis for accurately calculating the thermophysical properties of the mixture R152a/R1234ze(E).展开更多
By considering collision-limited growth mode and short-range diffusion-limited growth mode simultaneously,an extended kinetic model for solid−liquid interface with varied kinetic prefactor was developed for binary all...By considering collision-limited growth mode and short-range diffusion-limited growth mode simultaneously,an extended kinetic model for solid−liquid interface with varied kinetic prefactor was developed for binary alloys.Four potential correlations arising from effective kinetics coupling the two growth modes were proposed and studied by application to planar interface migration and dendritic solidification,where the linear correlation between the effective thermodynamic driving force and the effective kinetic energy barrier seems physically realistic.A better agreement between the results of free dendritic growth model and the available experiment data for Ni−0.7at.%B alloy was obtained based on correlation between the thermodynamics and kinetics.As compared to previous models assuming constant kinetic prefactor,a common phenomenon occurring at relatively low undercoolings,i.e.the interface migration slowdown,can be ascribed to both the thermodynamic and the kinetic factors.By considering universality of the correlation between the thermodynamics and kinetics,it is concluded that the correlation should be considered to model the interface kinetics in alloy solidification.展开更多
A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions and NaClO4-NaF-H2O ternary strong electrolyte aqueous solutions was develo...A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions and NaClO4-NaF-H2O ternary strong electrolyte aqueous solutions was developed based on the ion and molecule coexistence theory （IMCT）. A transformation coefficient was needed to compare the calculated mass action concentration and the reported activity, because they were usually obtained at different standard states and concentration units. The results show that transformation coefficients between the calculated mass action concentrations and the reported activities of the same components change in a very narrow range. The transformed mass action concentrations of structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions agree well with the reported activities. The transformed mass action concentrations of structural units or ion couples in NaClO4-NaF-H2O ternary solution are also in good agreement with the reported activities in a total ionic strength range from 0.1 to 0.9 mol/kg H2O by the 0.1 mol/kg step with different ionic strength fractions of 0, 0.2, 0.4, 0.5, 0.6, 0.8, and 1, respectively. The results indicate that the developed thermodynamic model can reveal the structural characteristics of binary and ternary strong electrolyte aqueous solutions, and the calculated mass action concentrations of structural units or ion couples also strictly follow the mass action law.展开更多
The current measuring methods of walkability,such as the walk score,consider that walking distance decay laws for all amenities are the same,which is not applicable to typical communities in China with plentiful resou...The current measuring methods of walkability,such as the walk score,consider that walking distance decay laws for all amenities are the same,which is not applicable to typical communities in China with plentiful resources.Therefore,the walking distance decay laws of multi-type and multi-scale facilities are studied.Firstly,based on the residents'amenity selection survey,the walking distance decay law of residents'choice of amenity was studied from three aspects,including the law of all amenities,the laws of different types of amenities and the laws of different scales of amenities.It was proved that the walking distance decay laws of different kinds of amenities showed a significant difference.Secondly,different amenities'acceptable walking distance and optimum walking distance were obtained according to previous studies and the decay curve.Amenities with higher attraction and/or a larger scale showed a longer acceptable walking distance and optimum walking distance.Finally,the binary logistic model was used to describe the relationships between walking distance,amenity type,amenity scale and the probability of one amenity being selected,the prediction accuracy of which reached 80.4%.The calculated probability obtained from the model can be used as the decay coefficient of amenities in the measurement of walkability,providing a reference for the site selection and evaluation of amenities.展开更多
Considering both the effect of the nonisothermal nature of the interface as well as the effect of forced convection,an extended free dendritic growth model for binary alloys was proposed.Comparative analysis indicates...Considering both the effect of the nonisothermal nature of the interface as well as the effect of forced convection,an extended free dendritic growth model for binary alloys was proposed.Comparative analysis indicates that the effect of convection on solute diffusion is more remarkable compared with the ignorable effect of convection on thermal diffusion at low bath undercooling,due to the fact that solute diffusion coefficient is usually three orders of magnitude less than thermal diffusion coefficient.At high bath undercooling,the effect of convection on the dendritic growth is very slight.Furthermore,a satisfying agreement between the model predictions with the available experiment data for the Cu70Ni30 alloy was obtained,especially at low bath undercoolings,profiting from the higher values of interfacial migration velocity predicted by the present model with nonideal fluid case than that predicted by the one ignoring the effect of convection.展开更多
We consider qualitatively robust predictive mappings of stochastic environmental models, where protection against outlier data is incorporated. We utilize digital representations of the models and deploy stochastic bi...We consider qualitatively robust predictive mappings of stochastic environmental models, where protection against outlier data is incorporated. We utilize digital representations of the models and deploy stochastic binary neural networks that are pre-trained to produce such mappings. The pre-training is implemented by a back propagating supervised learning algorithm which converges almost surely to the probabilities induced by the environment, under general ergodicity conditions.展开更多
To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been s...To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been studied. The total average relative errors of component 1 and 2 are 3.2 % and 4.1% respectively by application of the sub-regular solution model into the systems within the whole concentration. However, the total average relative errors are 16 % and 1088 % in the systems presenting saturation concentration. The results show that sub-regular solu- tion model is not good for predicting the systems presenting saturation concentration, especially for the systems con- taining acidic or neutral oxide. The reason may be that the influence of the two types of oxide on the configuration is greater in binary oxide systems. These oxides can be present in the form of complex anion partly, Si-O, Al-O, Ti-O and so on, for example （SiO4）4-. That is contrary to sub-regular solution model which is supposed that the oxide systems consist of cation and O2-. But compared with regular solution model and quasi-regular solution model, sub- regular solution model is closer to the characteristics of actual solution and the calculated results are superior.展开更多
The Ge-La binary system was critically assessed by means of the calculation of phase diagram （CALPHAD） technique. The asso- ciate model was used for the liquid phase containing the constituent species Ge, La, Ge3La5...The Ge-La binary system was critically assessed by means of the calculation of phase diagram （CALPHAD） technique. The asso- ciate model was used for the liquid phase containing the constituent species Ge, La, Ge3La5, and Ge1.7La. The terminal solid solution diamond-（Ge） with a small solubility of La was described using the substitutional model, in which the excess Gibbs energy was formulated with the Redlich-Kister equation. The compounds with homogeneity ranges, μ（Gel.7La）, β（Ge1.7La）, and （GeLa）, were modeled using two sublatrices asα（Ge,La）l.7La, β（Ge,La）l.7La, and （Ge,La）（Ge,La）, respectively. The intermediate phases with no solubility ranges, Ge4Las, GeaLa4, Ge3Las, and GeLa3, were treated as stoichiometric compounds. The three allotropic modifications of La, dhcp-La, fcc-La, and bcc-La, were kept as pure element phases since no solubility of Ge in La was reported. A set of self-consistent thermodynamic parameters of the Ge-La binary system was obtained. The calculation results agree well with the available experimental data from literatures.展开更多
Modified quasi-regular solution model has been available based on the sub-regular solution model and quasiregular solution model in this article. The three parameters of this model are set by the computer-aided analys...Modified quasi-regular solution model has been available based on the sub-regular solution model and quasiregular solution model in this article. The three parameters of this model are set by the computer-aided analysis based on the experimental data of activity at two different temperatures. Seven binary molten slag systems in the whole concentration are calculated by application of the model and the average relative error is within 10%. Ten binary molten slag systems presenting saturation concentration are also calculated, but the average relative error is bigger, especially for the systems containing acidic oxide and neutral oxide. The results show that the calculated results are superior to those calculated by application of regular solution model, sub-regular solution model and quasi-regular solution model.展开更多
A phase-field model(PFM)coupling with phase field,flow field and diffuse equation is presented for simulating isothermal dendrite growth of a nickel-copper alloy under a forced flow.Based on the finite difference meth...A phase-field model(PFM)coupling with phase field,flow field and diffuse equation is presented for simulating isothermal dendrite growth of a nickel-copper alloy under a forced flow.Based on the finite difference method with uniform grid,the C programming code is implemented to complete the phase-field simulations.The simulation results indicate that the interfacial morphology,the symmetry of dendrite formation,the tip growth velocity and the concentration distribution are strongly influenced by the fluid flow.展开更多
Objective: To analyze longitudinal binary data by using generalized linear models. The correlation between repeated measures were considered. The general method for analyzing longitudinal binary data was given. Method...Objective: To analyze longitudinal binary data by using generalized linear models. The correlation between repeated measures were considered. The general method for analyzing longitudinal binary data was given. Methods: Generalized estimating equations (GEE) proposed by Zeger and Liang was used. For sevens covariance structures, one method was given for estimating regression and correlation parameters. Results: Regression and coerelation parameters were estimated simultaneously. A Set of program was finished and an example was illustrated. Conclusion: Longitudinal dsta often occur in medical researches and clinical trials. For solving the problem of correlation between repeated measures, it is necessary to use some special methods to cope with this Kind of data.展开更多
In this work, the COSMO-RS （conductor like screening model for real solvent） model algorithm was derived from the modified Rachford rice method. It could be more helpful to investigate the phase behavior of binary s...In this work, the COSMO-RS （conductor like screening model for real solvent） model algorithm was derived from the modified Rachford rice method. It could be more helpful to investigate the phase behavior of binary systems with the help of quantum chemical calculation at 6-31G＊ basis set. COSMO-RS was used to predict solubility of binary mixture involving non-ILs （ionic liquids）, and ILs systems are： benzyl ethylamine ＋ glycerol system （Type-Ⅰ）, nitro methane ＋ cyclohexane system （Type-Ⅱ）, dipropylamine ＋ water system （Type-Ⅲ）, 1,2-ethanediol ＋ thiophene system （Type-Ⅳ）, [1,2-DMIM] [salicylate] ＋ thiophene （Type-Ⅳ）, and [EMIM] [NO3] ＋ thiophene （Type-Ⅳ）. Totally 15 cations with 27 anions were used for generating 405 binary LLE （liquid liquid equilibrium） systems involving thiophene. However, the predicted COSMO-RS values are consisting with the reported experimental values. Furthermore, the immiscibility gap at 298.15 K was determined and compared for various ILs. It was found that l-butylpyrrolidinium, l-octylquinolinium, 1-octylpyridinium and 1-octyl-3-methylimidazolium based cations are most suitable for thiophene extraction from any liquid mixture.展开更多
The present study investigated the vaporization kinetics of MgCl_2,CaCl_2 and their binary melts in a fluidized bed at1073-1273 K,and developed a vaporization model for the binary melts to explore the possibility of a...The present study investigated the vaporization kinetics of MgCl_2,CaCl_2 and their binary melts in a fluidized bed at1073-1273 K,and developed a vaporization model for the binary melts to explore the possibility of achieving enhanced vaporization rate for the feedstock containing CaO greater than 0.2 wt%.The vaporization rate constant of MgCl_2 is more than seven times than that of CaCl_2 at 1273 K.The vaporization rate of the binary melt was significantly affected by the composition,a small quantity of CaCl_2 can remarkably deteriorate the overall vaporization rate.Experimental results coincide well with the numerical simulation by the vaporization model which regards the evolution of vaporization rate with melts composition.A correlation between the necessary operation temperature and the CaO/(CaO + MgO) of the feedstock was proposed.Predictions reveal that a similar vaporization rate for 0.2 wt%-0.4 wt%CaO content feedstock with 0.2 wt%could be achieved at lower than 1365 K.展开更多
文摘In this paper,based on the structure-behavior coupling paradigm,we propose the concept of deviation of central town to describe the geography-market distance between farmers and the central regional town.Using the survey data from farmers in a poverty-stricken village in Western China,the impact of deviation of central town on farmers'livelihood strategies is analyzed.The results indicate that farmers exhibit spatial heterogeneity in their livelihood strategies.Those with low deviation show a strong inclination towards working in urban areas,while those with high deviation tend to integrate into rural industries.The deviation of central town influences farmers'livelihood strategies through the information effect,which is also affected by the level of rural infrastructure and public services,labor force structure and assistance policies.The obtained results are expected to provide guidance for promoting the integration of farmers into the urban-rural economic cycle based on sustainable livelihoods and connecting poverty alleviation with rural revitalization.
基金Projects(51161011,11364024)supported by the National Natural Science Foundation of China
文摘Based on the entropy function, a two-dimensional phase field model of binary alloys was established. Meanwhile, an explicit difference method with uniform grid was adopted to solve the phase field and solute field controlled equations. And the alternating direction implicit(ADI) algorithm for solving temperature field controlled equation was also employed to avoid the restriction of time step. Some characteristics of the Ni-Cu alloy were captured in the process of non-isothermal solidification, and the comparative analysis of the isothermal and the non-isothermal solidification was investigated. The simulation results indicate that the non-isothermal model is favorable to simulate the real solidification process of binary alloys, and when the thermal diffusivity decreases, the non-isothermal phase-field model is gradually consistent with the isothermal phase-field model.
基金Project supported by Publication Foundation of National Science and Technology Academic Books of China
文摘A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in ternary and binary strong electrolyte aqueous solution was developed based on the ion and molecule coexistence theory and verified in four kinds of binary aqueous solutions and two kinds of ternary aqueous solutions. The calculated mass action concentrations of structural units or ion couples in four binary aqueous solutions and two ternary solutions at 298.15 K have good agreement with the reported activity data from literatures after shifting the standard state and concentration unit. Therefore, the calculated mass action concentrations of structural units or ion couples from the developed universal thermodynamic model for ternary and binary aqueous solutions can be applied to predict reaction ability of components in ternary and binary strong electrolyte aqueous solutions. It is also proved that the assumptions applied in the developed thermodynamic model are correct and reasonable, i.e., strong electrolyte aqueous solution is composed of cations and anions as simple ions, H2O as simple molecule and other hydrous salt compounds as complex molecules. The calculated mass action concentrations of structural units or ion couples in ternary and binary strong electrolyte aqueous solutions strictly follow the mass action law.
文摘The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 and λ 2, which are represented as a linear function of temperature, T . The molar excess Gibbs free energy, G m E, can be written in the form G m E= x A x B[( λ 11 + λ 12 T )+( λ 21 + λ 22 T ) x B ] The calculation is carried out numerically for three immiscible binary alloy systems, Al Pb, Cu Tl and In V. The agreement between the calculated and experimentally determined values of activity coefficient is excellent.
基金supported by the Doctor Foundational Research Project in Shenyang Ligong University(Serial Number:0010).
文摘Phase field method offers the prospect of being able to perform realistic numerical experiments on dendrite growth in metallic systems. In this study, the growth process of multiple dendrites in AI-2-mole-%-Si binary alloy under isothermal solidification was simulated using phase field model. The simulation results showed the impingement of arbitrarily oriented crystals and the competitive growth among the grains during solidification. With the increase of growing time, the grains begin to coalesce and impinge the adjacent grains. When the dendrites start to impinge, the dendrite growth is obviously inhibited.
基金Supported by the National Natural Science Foundation of China(21325628)the Major Research Plan of the National Natural Science Foundation of China(91334108)the Scientific Instrument Developing Project of the Chinese Academy of Sciences(YZ201641)
文摘For the magnetized fluidized bed(MFB)with the binary mixture of Geldart-B magnetizable and nonmagnetizable particles,the magnetically induced segregation between these two kinds of particles occurs at high magnetic field intensities(H),leading to the deterioration of the fluidization quality.The critical intensity(H_(ms))above which such segregation commences varies with the gas velocity(U_g).This work focuses on establishing a segregation model to theoretically derive the H_(ms)–U_g relationship.In a magnetic field,the magnetizable particles form agglomerates.The magnetically induced segregation in essence refers to the size segregation of the binary mixture of agglomerates and nonmagnetizable particles.Consequently,the segregation model was established in two steps:first,the size of agglomerates(d_A)was calculated by the force balance model;then,the H_(ms)–U_g relationship was obtained by substituting the expression of d_Ainto the basic size segregation model for binary mixtures.As per the force balance model,the cohesive and collision forces were 1_2 orders of magnitude greater than the other forces exerted on the agglomerates.Therefore,the balance between these two forces largely determined d_A.The calculated d_A increased with increasing H and decreasing U_g,agreeing qualitatively with the experimental observation.The calculated H_(ms)–U_ g relationship agreed reasonably with the experimental data,indicating that the present segregation model could predict well the segregation behavior in the MFB with the binary mixture.
基金supported by the National Natural Science Foundation of China(22068024).
文摘At present,the environment impact of refrigerants has been given attention.The binary mixture R152a/R1234ze(E)is an environmentally friendly refrigerant,which solves problems of poor cooling performance of the R1234ze(E)cycle and flammability of R152a.In order to obtain its basic thermal and physical parameters,it is necessary to carry out vapor-liquid equilibrium(VLE)research,and the cubic equation of states(EOS)is often used in the calculation of the thermodynamic properties of mixtures.In this paper,the VLE predicted models for R152a/R1234ze(E)in the temperature range of 298.15-328.15 K were constructed using Soave-Redlich-Kwong(SRK),Peng-Robinson(PR)equations of state(EOS)combined with van der Waals(vd W),Huron-Vidal(HV)mixing rules,respectively.The equilibrium pressures and vapor-phase mole fractions of the models were obtained by calculation,and all four models presented an extreme correlation with the experimental data.And it can be concluded that the calculated results of the PR+HV model are closer to the experimental data than those of the other three models,with the average absolute deviation of 0.0027 for vapor-phase mole fraction(AAD(ycal))and the average absolute relative deviation of 0.243%for equilibrium pressure(AARD(pcal)),which provides a basis for accurately calculating the thermophysical properties of the mixture R152a/R1234ze(E).
基金The authors are grateful for the financial supports from the National Natural Science Foundation of China(51671075 and 51790481)the National Key R&D Program of China,(2017YFB0703001 and 2017YFB0305100)+3 种基金China Postdoctoral Science Foundation(2016M590970)the Fund of the State Key Laboratory of Solidification Processing in NWPU,China(SKLSP201606)the Fundamental Research Foundation for Universities of Heilongjiang Province,China(LGYC2018JC004)the Heilongjiang Postdoctoral Fund for Scientific Research Initiation,China(LBH-Q16118).
文摘By considering collision-limited growth mode and short-range diffusion-limited growth mode simultaneously,an extended kinetic model for solid−liquid interface with varied kinetic prefactor was developed for binary alloys.Four potential correlations arising from effective kinetics coupling the two growth modes were proposed and studied by application to planar interface migration and dendritic solidification,where the linear correlation between the effective thermodynamic driving force and the effective kinetic energy barrier seems physically realistic.A better agreement between the results of free dendritic growth model and the available experiment data for Ni−0.7at.%B alloy was obtained based on correlation between the thermodynamics and kinetics.As compared to previous models assuming constant kinetic prefactor,a common phenomenon occurring at relatively low undercoolings,i.e.the interface migration slowdown,can be ascribed to both the thermodynamic and the kinetic factors.By considering universality of the correlation between the thermodynamics and kinetics,it is concluded that the correlation should be considered to model the interface kinetics in alloy solidification.
基金supported by the Publication Foundation of China National Science and Technology Academic Books
文摘A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions and NaClO4-NaF-H2O ternary strong electrolyte aqueous solutions was developed based on the ion and molecule coexistence theory （IMCT）. A transformation coefficient was needed to compare the calculated mass action concentration and the reported activity, because they were usually obtained at different standard states and concentration units. The results show that transformation coefficients between the calculated mass action concentrations and the reported activities of the same components change in a very narrow range. The transformed mass action concentrations of structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions agree well with the reported activities. The transformed mass action concentrations of structural units or ion couples in NaClO4-NaF-H2O ternary solution are also in good agreement with the reported activities in a total ionic strength range from 0.1 to 0.9 mol/kg H2O by the 0.1 mol/kg step with different ionic strength fractions of 0, 0.2, 0.4, 0.5, 0.6, 0.8, and 1, respectively. The results indicate that the developed thermodynamic model can reveal the structural characteristics of binary and ternary strong electrolyte aqueous solutions, and the calculated mass action concentrations of structural units or ion couples also strictly follow the mass action law.
文摘The current measuring methods of walkability,such as the walk score,consider that walking distance decay laws for all amenities are the same,which is not applicable to typical communities in China with plentiful resources.Therefore,the walking distance decay laws of multi-type and multi-scale facilities are studied.Firstly,based on the residents'amenity selection survey,the walking distance decay law of residents'choice of amenity was studied from three aspects,including the law of all amenities,the laws of different types of amenities and the laws of different scales of amenities.It was proved that the walking distance decay laws of different kinds of amenities showed a significant difference.Secondly,different amenities'acceptable walking distance and optimum walking distance were obtained according to previous studies and the decay curve.Amenities with higher attraction and/or a larger scale showed a longer acceptable walking distance and optimum walking distance.Finally,the binary logistic model was used to describe the relationships between walking distance,amenity type,amenity scale and the probability of one amenity being selected,the prediction accuracy of which reached 80.4%.The calculated probability obtained from the model can be used as the decay coefficient of amenities in the measurement of walkability,providing a reference for the site selection and evaluation of amenities.
基金the financial supports from the National Natural Science Foundation of China(No.51671075)the Heilongjiang Postdoctoral Fund for Scientific Research Initiation(No.LBH-Q16118)the Fundamental Research Foundation for Universities of Heilongjiang Province,China(No.LGYC2018-JC004).
文摘Considering both the effect of the nonisothermal nature of the interface as well as the effect of forced convection,an extended free dendritic growth model for binary alloys was proposed.Comparative analysis indicates that the effect of convection on solute diffusion is more remarkable compared with the ignorable effect of convection on thermal diffusion at low bath undercooling,due to the fact that solute diffusion coefficient is usually three orders of magnitude less than thermal diffusion coefficient.At high bath undercooling,the effect of convection on the dendritic growth is very slight.Furthermore,a satisfying agreement between the model predictions with the available experiment data for the Cu70Ni30 alloy was obtained,especially at low bath undercoolings,profiting from the higher values of interfacial migration velocity predicted by the present model with nonideal fluid case than that predicted by the one ignoring the effect of convection.
文摘We consider qualitatively robust predictive mappings of stochastic environmental models, where protection against outlier data is incorporated. We utilize digital representations of the models and deploy stochastic binary neural networks that are pre-trained to produce such mappings. The pre-training is implemented by a back propagating supervised learning algorithm which converges almost surely to the probabilities induced by the environment, under general ergodicity conditions.
基金Item Sponsored by National Natural Science Foundation of China(50764006,50574045)Yunnan Basic Applied Research Foundation of China(2006E0021M)
文摘To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been studied. The total average relative errors of component 1 and 2 are 3.2 % and 4.1% respectively by application of the sub-regular solution model into the systems within the whole concentration. However, the total average relative errors are 16 % and 1088 % in the systems presenting saturation concentration. The results show that sub-regular solu- tion model is not good for predicting the systems presenting saturation concentration, especially for the systems con- taining acidic or neutral oxide. The reason may be that the influence of the two types of oxide on the configuration is greater in binary oxide systems. These oxides can be present in the form of complex anion partly, Si-O, Al-O, Ti-O and so on, for example （SiO4）4-. That is contrary to sub-regular solution model which is supposed that the oxide systems consist of cation and O2-. But compared with regular solution model and quasi-regular solution model, sub- regular solution model is closer to the characteristics of actual solution and the calculated results are superior.
基金supported by the National Natural Science Foundation of China (Nos.50731002 and 50671009)
文摘The Ge-La binary system was critically assessed by means of the calculation of phase diagram （CALPHAD） technique. The asso- ciate model was used for the liquid phase containing the constituent species Ge, La, Ge3La5, and Ge1.7La. The terminal solid solution diamond-（Ge） with a small solubility of La was described using the substitutional model, in which the excess Gibbs energy was formulated with the Redlich-Kister equation. The compounds with homogeneity ranges, μ（Gel.7La）, β（Ge1.7La）, and （GeLa）, were modeled using two sublatrices asα（Ge,La）l.7La, β（Ge,La）l.7La, and （Ge,La）（Ge,La）, respectively. The intermediate phases with no solubility ranges, Ge4Las, GeaLa4, Ge3Las, and GeLa3, were treated as stoichiometric compounds. The three allotropic modifications of La, dhcp-La, fcc-La, and bcc-La, were kept as pure element phases since no solubility of Ge in La was reported. A set of self-consistent thermodynamic parameters of the Ge-La binary system was obtained. The calculation results agree well with the available experimental data from literatures.
基金Item Sponsored by National Natural Science Foundation of China(50764006,50574045)Yunnan Basic Applied Research Foundation of China(2006E0021M)
文摘Modified quasi-regular solution model has been available based on the sub-regular solution model and quasiregular solution model in this article. The three parameters of this model are set by the computer-aided analysis based on the experimental data of activity at two different temperatures. Seven binary molten slag systems in the whole concentration are calculated by application of the model and the average relative error is within 10%. Ten binary molten slag systems presenting saturation concentration are also calculated, but the average relative error is bigger, especially for the systems containing acidic oxide and neutral oxide. The results show that the calculated results are superior to those calculated by application of regular solution model, sub-regular solution model and quasi-regular solution model.
基金the National Natural Science Foundation of China(Nos.10964004 and 50804019)the Natural Science Foundation of Gansu Province (No.1014RJZA003)
文摘A phase-field model(PFM)coupling with phase field,flow field and diffuse equation is presented for simulating isothermal dendrite growth of a nickel-copper alloy under a forced flow.Based on the finite difference method with uniform grid,the C programming code is implemented to complete the phase-field simulations.The simulation results indicate that the interfacial morphology,the symmetry of dendrite formation,the tip growth velocity and the concentration distribution are strongly influenced by the fluid flow.
文摘Objective: To analyze longitudinal binary data by using generalized linear models. The correlation between repeated measures were considered. The general method for analyzing longitudinal binary data was given. Methods: Generalized estimating equations (GEE) proposed by Zeger and Liang was used. For sevens covariance structures, one method was given for estimating regression and correlation parameters. Results: Regression and coerelation parameters were estimated simultaneously. A Set of program was finished and an example was illustrated. Conclusion: Longitudinal dsta often occur in medical researches and clinical trials. For solving the problem of correlation between repeated measures, it is necessary to use some special methods to cope with this Kind of data.
文摘In this work, the COSMO-RS （conductor like screening model for real solvent） model algorithm was derived from the modified Rachford rice method. It could be more helpful to investigate the phase behavior of binary systems with the help of quantum chemical calculation at 6-31G＊ basis set. COSMO-RS was used to predict solubility of binary mixture involving non-ILs （ionic liquids）, and ILs systems are： benzyl ethylamine ＋ glycerol system （Type-Ⅰ）, nitro methane ＋ cyclohexane system （Type-Ⅱ）, dipropylamine ＋ water system （Type-Ⅲ）, 1,2-ethanediol ＋ thiophene system （Type-Ⅳ）, [1,2-DMIM] [salicylate] ＋ thiophene （Type-Ⅳ）, and [EMIM] [NO3] ＋ thiophene （Type-Ⅳ）. Totally 15 cations with 27 anions were used for generating 405 binary LLE （liquid liquid equilibrium） systems involving thiophene. However, the predicted COSMO-RS values are consisting with the reported experimental values. Furthermore, the immiscibility gap at 298.15 K was determined and compared for various ILs. It was found that l-butylpyrrolidinium, l-octylquinolinium, 1-octylpyridinium and 1-octyl-3-methylimidazolium based cations are most suitable for thiophene extraction from any liquid mixture.
基金Supported by the National Natural Science Foundation of China(NSFC)Distinguished Young Scholar project(No.21325628)
文摘The present study investigated the vaporization kinetics of MgCl_2,CaCl_2 and their binary melts in a fluidized bed at1073-1273 K,and developed a vaporization model for the binary melts to explore the possibility of achieving enhanced vaporization rate for the feedstock containing CaO greater than 0.2 wt%.The vaporization rate constant of MgCl_2 is more than seven times than that of CaCl_2 at 1273 K.The vaporization rate of the binary melt was significantly affected by the composition,a small quantity of CaCl_2 can remarkably deteriorate the overall vaporization rate.Experimental results coincide well with the numerical simulation by the vaporization model which regards the evolution of vaporization rate with melts composition.A correlation between the necessary operation temperature and the CaO/(CaO + MgO) of the feedstock was proposed.Predictions reveal that a similar vaporization rate for 0.2 wt%-0.4 wt%CaO content feedstock with 0.2 wt%could be achieved at lower than 1365 K.
