The equilibrium distribution coefficients of 12 impurities （As,Fe,Ca,Co,Al,Cr,Cu,Mg,Mn,Ni,Pb,Zn） in phosphorus were obtained by measuring their effective distribution coefficients at zone travel rate of 3,5,10,15,an...The equilibrium distribution coefficients of 12 impurities （As,Fe,Ca,Co,Al,Cr,Cu,Mg,Mn,Ni,Pb,Zn） in phosphorus were obtained by measuring their effective distribution coefficients at zone travel rate of 3,5,10,15,and 20 mm·h-1 in the purification process with vertical zone-melting technique.The results indicate that the method is reliable.The equilibrium distribution coefficients are below 0.3 except arsenic.展开更多
We use non-equilibrium molecular dynamics simulations to calculate the self-diffusion coefficient, D, of a Lennard Jones fluid over a wide density and temperature range. The change in self-diffusion coefficient with t...We use non-equilibrium molecular dynamics simulations to calculate the self-diffusion coefficient, D, of a Lennard Jones fluid over a wide density and temperature range. The change in self-diffusion coefficient with temperature decreases by increasing density. For density ρ＊ = ρσ3 = 0.84 we observe a peak at the value of the self-diffusion coefficient and the critical temperature T＊ = kT/ε = 1.25. The value of the self-diffusion coefficient strongly depends on system size. The data of the self-diffusion coefficient are fitted to a simple analytic relation based on hydrodynamic arguments. This correction scales as N-α, where α is an adjustable parameter and N is the number of particles. It is observed that the values of a 〈 1 provide quite a good correction to the simulation data. The system size dependence is very strong for lower densities, but it is not as strong for higher densities. The self-diffusion coefficient calculated with non-equilibrium molecular dynamic simulations at different temperatures and densities is in good agreement with other calculations fronl the literature.展开更多
In this study,three semipredictive activity coefficient models:Wilson,non-random-two liquid model(NRTL),and universal quasi-chemical model(UNIQUAC),have been used for modeling vapor-liquid equilibrium properties of te...In this study,three semipredictive activity coefficient models:Wilson,non-random-two liquid model(NRTL),and universal quasi-chemical model(UNIQUAC),have been used for modeling vapor-liquid equilibrium properties of ternary mixtures that include substances found in alcoholic distillation processes of wine and musts.In particular,vapor-liquid equilibrium in ternary mixtures containing water + ethanol + congener has been modeled using parameters obtained from binary and ternary mixture data.The congeners are substances that although present in very low concentrations,of the order of part per million,are important enological parameters.The results given by these different models have been compared with literature data and conclusions about the accuracy of the models studied are drawn,recommending the best models for correlating and predicting phase equilibrium properties of this type of mixtures.展开更多
The main reason why the application of nuclear technology in petroleum exploration has not yet been accepted by most exploration workers is that they are not clear about the homologous distribution features of oil and...The main reason why the application of nuclear technology in petroleum exploration has not yet been accepted by most exploration workers is that they are not clear about the homologous distribution features of oil and gas fields and radioactive radiation. The authors hold that the disequilibrium of uranium, radium and radon as a natural radioactive series is the basic feature in the use of this technology in petroleum exploration. The invention Gamma-ray Spectral Measurement of the Equilibium Coefficient Kp and Its Embodiment of the senior author now can readily solve that problem and replace the impedient measure of normalization of uranium and potassium to thorium that had to be proposed before. Application of this impedient measure has some limitations. In areas where the surface is covered by beach or river sands, thorium minerals such as monazite may be concentrated by placering. This could result in local thorium highs that would yield local uranium and potassium lows after normalization to thorium, and these would constitute false anomalies.展开更多
The interaction coefficients of Ca.Ti and Mg in the dilute Sn-based solution have been de- termined at 1500℃.Experimental measurements were taken by equilibrating the slag-alloy systems with metallic Sn as flux and g...The interaction coefficients of Ca.Ti and Mg in the dilute Sn-based solution have been de- termined at 1500℃.Experimental measurements were taken by equilibrating the slag-alloy systems with metallic Sn as flux and graphite as reducing agent under Ar atmosphere mixed with different portion of CO.It was found that a considerable error may produce if the coefficients of ε_(Ca)^(Ca),ε_(Mg)^(Mg)and ε_(Ti)^(Ti)in the molten Sn were neglected when the activities of the components CaO,MgO and TiO_2 in the slags were estimated by this method.展开更多
As a part of the fundamental study related to the reduction smelting of spent lithium-ion batteries and ocean polymetallic nodules based on MnO–SiO_(2)slags,this work investigated the activity coefficient of NiO in S...As a part of the fundamental study related to the reduction smelting of spent lithium-ion batteries and ocean polymetallic nodules based on MnO–SiO_(2)slags,this work investigated the activity coefficient of NiO in SiO_(2)-saturated Mn O–Si O_(2)slag and Al_(2)O_(3)-saturated Mn O–SiO_(2)–Al_(2)O_(3)slag at 1623 K with controlled oxygen partial pressure levels of 10^(-7),10^(-6),and 10^(-5)Pa.Results showed that the solubility of nickel oxide in the slags increased with increasing oxygen partial pressure.The nickel in the Mn O–Si O_(2)slag and Mn O–Si O_(2)–Al_(2)O_(3)slag existed as Ni O under experimental conditions.The addition of Al_(2)O_(3)in the Mn O–Si O_(2)slag decreased the dissolution of nickel in the slag and increased the activity coefficient of Ni O.Furthermore,the activity coefficient of Ni O(γN_(i O)),which is solid Ni O,in the Si O_(2)saturated Mn O–Si O_(2)slag and Al_(2)O_(3)saturated Mn O–Si O_(2)–Al_(2)O_(3)slag at 1623 K can be respectively calculated asγN_(i O)=8.58w(Ni O)+3.18 andγN_(i O)=11.06w(Ni O)+4.07,respectively,where w(Ni O)is the Ni O mass fraction in the slag.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
High-pressure vapor-liquid equilibrium data for the binary systems of methyl propionate＋carbon dioxide and propyl propionate＋carbon dioxide were measured at pressure from 1.00 MPa to 12.00 MPa and temperature in the...High-pressure vapor-liquid equilibrium data for the binary systems of methyl propionate＋carbon dioxide and propyl propionate＋carbon dioxide were measured at pressure from 1.00 MPa to 12.00 MPa and temperature in the range from 313 K to 373 K. Experimental results were correlated with the Peng-Robinson equation of state with the two-parameter van der Waals mixing rule. At the same time, the Henry＇s coefficient, partial molar enthalpy change and partial molar entropy change of CO2 during dissolution at different temperature were also calculated.展开更多
基金Supported by the Eleventh Five-year National Key Technology Research and Development Program of China (2007BAE58B01)
文摘The equilibrium distribution coefficients of 12 impurities （As,Fe,Ca,Co,Al,Cr,Cu,Mg,Mn,Ni,Pb,Zn） in phosphorus were obtained by measuring their effective distribution coefficients at zone travel rate of 3,5,10,15,and 20 mm·h-1 in the purification process with vertical zone-melting technique.The results indicate that the method is reliable.The equilibrium distribution coefficients are below 0.3 except arsenic.
基金supported by the National Natural Science Foundation of China (Grant No. 51076128)the National High Technology Research and Development Program of China (Grant No. 2009AA05Z107)
文摘We use non-equilibrium molecular dynamics simulations to calculate the self-diffusion coefficient, D, of a Lennard Jones fluid over a wide density and temperature range. The change in self-diffusion coefficient with temperature decreases by increasing density. For density ρ＊ = ρσ3 = 0.84 we observe a peak at the value of the self-diffusion coefficient and the critical temperature T＊ = kT/ε = 1.25. The value of the self-diffusion coefficient strongly depends on system size. The data of the self-diffusion coefficient are fitted to a simple analytic relation based on hydrodynamic arguments. This correction scales as N-α, where α is an adjustable parameter and N is the number of particles. It is observed that the values of a 〈 1 provide quite a good correction to the simulation data. The system size dependence is very strong for lower densities, but it is not as strong for higher densities. The self-diffusion coefficient calculated with non-equilibrium molecular dynamic simulations at different temperatures and densities is in good agreement with other calculations fronl the literature.
基金Supported by the Direction of Research of the University of La Serena-Chile (220-2-05 and 220-2-21)the National Council for Scientific and Technological Research,CONICYT (FONDECYT 3020020)
文摘In this study,three semipredictive activity coefficient models:Wilson,non-random-two liquid model(NRTL),and universal quasi-chemical model(UNIQUAC),have been used for modeling vapor-liquid equilibrium properties of ternary mixtures that include substances found in alcoholic distillation processes of wine and musts.In particular,vapor-liquid equilibrium in ternary mixtures containing water + ethanol + congener has been modeled using parameters obtained from binary and ternary mixture data.The congeners are substances that although present in very low concentrations,of the order of part per million,are important enological parameters.The results given by these different models have been compared with literature data and conclusions about the accuracy of the models studied are drawn,recommending the best models for correlating and predicting phase equilibrium properties of this type of mixtures.
文摘The main reason why the application of nuclear technology in petroleum exploration has not yet been accepted by most exploration workers is that they are not clear about the homologous distribution features of oil and gas fields and radioactive radiation. The authors hold that the disequilibrium of uranium, radium and radon as a natural radioactive series is the basic feature in the use of this technology in petroleum exploration. The invention Gamma-ray Spectral Measurement of the Equilibium Coefficient Kp and Its Embodiment of the senior author now can readily solve that problem and replace the impedient measure of normalization of uranium and potassium to thorium that had to be proposed before. Application of this impedient measure has some limitations. In areas where the surface is covered by beach or river sands, thorium minerals such as monazite may be concentrated by placering. This could result in local thorium highs that would yield local uranium and potassium lows after normalization to thorium, and these would constitute false anomalies.
文摘The interaction coefficients of Ca.Ti and Mg in the dilute Sn-based solution have been de- termined at 1500℃.Experimental measurements were taken by equilibrating the slag-alloy systems with metallic Sn as flux and graphite as reducing agent under Ar atmosphere mixed with different portion of CO.It was found that a considerable error may produce if the coefficients of ε_(Ca)^(Ca),ε_(Mg)^(Mg)and ε_(Ti)^(Ti)in the molten Sn were neglected when the activities of the components CaO,MgO and TiO_2 in the slags were estimated by this method.
基金financially supported by the National Natural Science Foundation of China(No.51704038)。
文摘As a part of the fundamental study related to the reduction smelting of spent lithium-ion batteries and ocean polymetallic nodules based on MnO–SiO_(2)slags,this work investigated the activity coefficient of NiO in SiO_(2)-saturated Mn O–Si O_(2)slag and Al_(2)O_(3)-saturated Mn O–SiO_(2)–Al_(2)O_(3)slag at 1623 K with controlled oxygen partial pressure levels of 10^(-7),10^(-6),and 10^(-5)Pa.Results showed that the solubility of nickel oxide in the slags increased with increasing oxygen partial pressure.The nickel in the Mn O–Si O_(2)slag and Mn O–Si O_(2)–Al_(2)O_(3)slag existed as Ni O under experimental conditions.The addition of Al_(2)O_(3)in the Mn O–Si O_(2)slag decreased the dissolution of nickel in the slag and increased the activity coefficient of Ni O.Furthermore,the activity coefficient of Ni O(γN_(i O)),which is solid Ni O,in the Si O_(2)saturated Mn O–Si O_(2)slag and Al_(2)O_(3)saturated Mn O–Si O_(2)–Al_(2)O_(3)slag at 1623 K can be respectively calculated asγN_(i O)=8.58w(Ni O)+3.18 andγN_(i O)=11.06w(Ni O)+4.07,respectively,where w(Ni O)is the Ni O mass fraction in the slag.
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).
文摘High-pressure vapor-liquid equilibrium data for the binary systems of methyl propionate＋carbon dioxide and propyl propionate＋carbon dioxide were measured at pressure from 1.00 MPa to 12.00 MPa and temperature in the range from 313 K to 373 K. Experimental results were correlated with the Peng-Robinson equation of state with the two-parameter van der Waals mixing rule. At the same time, the Henry＇s coefficient, partial molar enthalpy change and partial molar entropy change of CO2 during dissolution at different temperature were also calculated.
