An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used t...An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used to represent the thermodynamics of binary alloys at higher concentrations. The present results reveal that it is an improper way to evaluate first and second-order interaction parameters simultaneously from the experimental data in the range of higher concentrations due to an inadequate accuracy Of high temperature experiments.展开更多
Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency ...Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency of these experimental data is tested with an available statistic method. Interaction parameters of the carbonate group -OCOO- with the group -CH3, ACH, CH3OH and CH3COO- in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAC parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMC and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower.展开更多
In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpr...In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.展开更多
Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide c...Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide concentration rangethat the non-combinatorial“entropic interaction”term (?)φ_1φ_2 perceptibly counteracts the mean field combinary entropy△S_(MF).With the increase of the solvent size,both (?) and the ratio (?)φ_1φ_2/△S_(MF) first reach their maximum and finallybecome trivially to zero.It is worth noting that no any demixing was found in the current calculation.This makes thecontroversial idea“entropically driven demixing”even elusive.However,we propose that further work on compressiblepolymer solution with structured monomer will witness the demixing owning to an increased configurational correlation.展开更多
The molecular interaction volume model （MIVM） for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction ...The molecular interaction volume model （MIVM） for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction parameter formalism （UIPF） can be used to predict the activities of solutes and solvents in the Fe-Cr-Ni liquid alloys. But the former employs only the infinite dilute activity coefficients, and the later is not applicable without the dilute binary and ternary interaction parameters. MIVM has a certain physical meaning from the viewpoint of statistical thermodynamics, so it is an alternative for the estimation of activity coefficients of the solutes and solvents in a dilute or finite concentration metal solution where the interaction parameters are absent or their accuracies are questionable.展开更多
The artificial neural network method has been applied to the relationship between the atomic parameters and intemction packeters of binary alloy Phases, and the principle of thermodynamics in combination with artifici...The artificial neural network method has been applied to the relationship between the atomic parameters and intemction packeters of binary alloy Phases, and the principle of thermodynamics in combination with artificial neural network method has been used for the computerized phase diagrams of continuous solid solution of bigamy alloy systems. The computerized phase diagrams well agree with the real phase diagmms.展开更多
Quantitative description of vapor-liquid equilibrium is very useful for designing separation processes. In this study, we combined the Peng-Robinson equation and the Huron-Vidal-Orbey-Sandler mixing rule into a modifi...Quantitative description of vapor-liquid equilibrium is very useful for designing separation processes. In this study, we combined the Peng-Robinson equation and the Huron-Vidal-Orbey-Sandler mixing rule into a modified UNIFAC model for the improvement of predicting vapor-liquid equilibria. The predictions of vapor-liquid equilibria for 62 systems including alcohol- alkane, alcohol-benzene, and amine-water systems demonstrate that the revised parameters remarkably improve the prediction accuracy for many systems. Especially for amine-water system, the mean deviation of components decreases from 0.094 to 0.021, and the mean deviation of pressure from 22.45% to 4.41%.展开更多
Blends of polyacrylamide—PAM, poly(N-isopropylacrylamide)—PNIPAAm, poly(N-tert-butylacrylamide)—PTBAA, poly(N,N-dimethylacrylamide)—PDMAA and poly(N,N-diethylacrylamide)—PDEAA with poly(ethylene glycol)— PEG wer...Blends of polyacrylamide—PAM, poly(N-isopropylacrylamide)—PNIPAAm, poly(N-tert-butylacrylamide)—PTBAA, poly(N,N-dimethylacrylamide)—PDMAA and poly(N,N-diethylacrylamide)—PDEAA with poly(ethylene glycol)— PEG were prepared by casting in methanol and water at concentrations of 20 wt%, 40 wt%, 60 wt%, and 80 wt% in PEG. The miscibility of the components was studied by Differential Scanning Calorimetry—DSC. All blend systems are characterized by a single glass transition temperature (Tg), close to the Tg of the amorphous component. The Hoffman Weeks method was used to determine equilibrium melting temperature (Tm) data. The determination of the melt point depression of the blends allowed the calculation of Flory-Huggins interaction parameter (χ12) of the two polymers in the melt, by using the Nishi Wang equation. The interaction parameters, calculated for all the blends, are slightly negative and close to zero, suggesting a partial miscibility between the components.展开更多
The interaction parameters of Nb in Fe-C-Nb melts at 1873 K were measured using the chemical equilibrium method.The Fe-C melts were equilibrated with the CaO-MgO-Al_(2)O_(3)-NbO_(2) slags under a controlled oxygen pot...The interaction parameters of Nb in Fe-C-Nb melts at 1873 K were measured using the chemical equilibrium method.The Fe-C melts were equilibrated with the CaO-MgO-Al_(2)O_(3)-NbO_(2) slags under a controlled oxygen potential for 24 h.In addition to acting as the protective gas,argon was adopted to control the oxygen potential.Based on the data obtained in the experiments,the activity interaction parameters were obtained by the multiple linear regression method.The first-order interaction parameters e_(Nb)^(C)and e_(Nb)^(Nb)are determined to be−0.035 and−0.134,respectively.The second-order interaction parameters r_(Nb)^(C),r_(Nb)^(Nb,C),and r_(Nb)……(Nb)are determined to be 0.011,−0.0063,and 0.0023,respectively.The thermodynamic data obtained are more reliable than those in previous publications for the Fe-C-Nb system when the Nb content range was 0.92-4.62 wt.%.展开更多
The substantial increase in the efficiency of organic solar cells achieved in recent years would not have been possible without work on the synthesis of new materials and understanding the relationship between the mor...The substantial increase in the efficiency of organic solar cells achieved in recent years would not have been possible without work on the synthesis of new materials and understanding the relationship between the morphology and performance of organic photovoltaic devices.The structure of solvent-cast active layers is a result of phase separation in mixtures of donor and acceptor components.To a large extent,this process depends on the interactions between the components of the mixture.Here,we present a systematic analysis of the morphology of poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)](PCDTBT)and[6,6]-phenyl-C71-butyric acid methyl ester(PC70BM)films in terms of the ternary phase diagram.The interaction parameters between PCDTBT and four different solvents,namely chloroform,chlorobenzene,o-dichlorobenzene,and toluene,were estimated based on swelling experiments.Based on these values,ternary phase diagrams of PCDTBT:PC70BM in different solvents were calculated.The morphology of spin-coated films with different blend ratios cast from different solvents is discussed in terms of the obtained phase diagrams.展开更多
Carbon solubility in Fe-Mn melts （XFe =0. 102 3-0. 789 9, XMn =0. 055 1-0. 638 0） was measured experimentally at various temperatures. Using Gibbs-Duhem equation, in combination with the experimental results in this...Carbon solubility in Fe-Mn melts （XFe =0. 102 3-0. 789 9, XMn =0. 055 1-0. 638 0） was measured experimentally at various temperatures. Using Gibbs-Duhem equation, in combination with the experimental results in this work, quoting experimental data reported in references, and by strict thermodynamic derivation and calculation, the relation equations between the activity interaction parameters in Fe-C system and temperature were obtained. The calculation equation of lnyFe. in Fe-C system was also obtained. The calculated results show that these relation equations can be used to calculate the activity coefficients of carbon and iron in Fe-C system and can satisfy the necessary condition to satisfy Gibbs-Duhem equation and the necessary condition to satisfy the stability condition of system at high carbon content. The calculation formula for lnTc in Fe-Mn-C system was also obtained.展开更多
Method for constructing the optimal water supply line and formulas for calculating the targets for single-contaminant regeneration recycling water systems are improved to apply to the situation of variational pararnet...Method for constructing the optimal water supply line and formulas for calculating the targets for single-contaminant regeneration recycling water systems are improved to apply to the situation of variational pararneters in this article. Based on these extending methods, the effect of varying freshwater consumption and regenerated water flow rate on the optimizing results are investigated. The interactions of parameters of regeneration recycling systems are summarized. Finally, all the conclusions are illustrated from the results of mathematical programming through an example.展开更多
The paper investigates the second-order interactions of parameters in an alkali-activated mixture of paper production waste(PPW)and blast furnace slag(BFS)in Taguchi method.The PPW including lime mud(LM)and paper slud...The paper investigates the second-order interactions of parameters in an alkali-activated mixture of paper production waste(PPW)and blast furnace slag(BFS)in Taguchi method.The PPW including lime mud(LM)and paper sludge(PS).This paper provides the experimental models to assess the compressive and flexural strength of them at 7-day and 28-day.The results have shown that the second-order interactions between PPW and alkali-activated activator exists in each experimental model,and the significant interactions affect the selection of optimal compositions.Compared with the interactions between the PPW themselves,the interactions between PPW and alkali-activated parameters are the main significant factors affecting its physical properties.In each experimental model,the maximum compressive strength was 47.41 MPa in 7-day and 65.64 MPa in 28-day.Compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 3.08%and 0.56%,respectively.The maximum flexural strength was 5.74 MPa in 7-day and 5.96 MPa in 28-day;compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 5.40%and 0.17%.Considering the influence of circular materials,30%of PPW should be a suitable ratio to replace BFS as the raw material of alkali-activated slag(AAS).展开更多
The interaction in two mixtures of a nonionic surfactant AEO9 (C12H25O(CH2CH2O)9H) and different ionic surfactants was investigated. The two mixtures were AEO9/sodium dodecyl sulfate (SDS) and AEO9/cetyltrimethylammon...The interaction in two mixtures of a nonionic surfactant AEO9 (C12H25O(CH2CH2O)9H) and different ionic surfactants was investigated. The two mixtures were AEO9/sodium dodecyl sulfate (SDS) and AEO9/cetyltrimethylammonium bromide (CTAB) at molar fraction of AEO9, A EO9 α =0.5. The surface properties of the surfactants, critical micelle concentration (CMC), effectiveness of surface tension reduction (γCMC), maximum surface excess concentration (Γmax) and minimum area per molecule at the air/solution interface (Amin) were determined for both individual surfactants and their mixtures. The significant deviations from ideal behavior (attractive interactions) of the nonionic/ionic surfactant mixtures were determined. Mixtures of both AEO9/SDS and AEO9/CTAB exhibited synergism in surface tension reduction efficiency and mixed micelle formation, but neither exhibited synergism in surface tension reduction effectiveness.展开更多
The miscibility of poly(ethylene terephthalate (ET)- caprolactone (CL) (TCL)/poly(ethylene terephthalate) (PET) blends were examined by Differential Scanning Calorimeter (DSC). In these blends, a miscibility limit spe...The miscibility of poly(ethylene terephthalate (ET)- caprolactone (CL) (TCL)/poly(ethylene terephthalate) (PET) blends were examined by Differential Scanning Calorimeter (DSC). In these blends, a miscibility limit specified by ET content in the TCL was found to be about 70 (wt%). In the blends of TCL/TCL with different ET contents, a miscibility window defined by ET content was also found to range from 82 to 58 (wt%). Based on the experimental miscibility limits and the mean field binary interaction model, the interaction parameter between monomeric units of ET and CL was obtained.展开更多
Experiments were carried out at 1873 K in a double-temperature zone furnace using vapor pressure method. The equilibriumtests of bedum vapor with liquid iron were conducted in CaO crucibles sealed in a Mo chamber. As ...Experiments were carried out at 1873 K in a double-temperature zone furnace using vapor pressure method. The equilibriumtests of bedum vapor with liquid iron were conducted in CaO crucibles sealed in a Mo chamber. As a result, the experiments obtainedthe relation between the dissolved content of Ba in liquid iron and the vapor pressure of Ba and the standard Gibbs energies for the re-actions Ba(g)=[Ba] and Ba(l)=[Ba].展开更多
Normal,R0,and anomalous,RS,components of the Hall coefficient are determined from the results of experimental investigations of temperature dependences of the Hall coefficient,magnetic susceptibility,and specific elec...Normal,R0,and anomalous,RS,components of the Hall coefficient are determined from the results of experimental investigations of temperature dependences of the Hall coefficient,magnetic susceptibility,and specific electrical resistance for intermetallic Gd3In,Gd3In5 and GdIn3 compounds.Effective parameters of spin-orbital interactionλSO of intermetallic compounds are calculated from anomalous components RS of the Hall coefficient and specific electrical resistance.The results calculated for the band parameters and effective parameters of spin-orbital interactionλSO for Gd-In system intermetallides coincide by orders of magnitude with the results obtained from the optical spectra of pure REMs(rare-earth metals).展开更多
A thermodynamic model was developed to calculate the hydrogen solubility in molten alloys based on the hydrogen solubility in constitutional pure liquid metals and their interaction parameters. The calculated results ...A thermodynamic model was developed to calculate the hydrogen solubility in molten alloys based on the hydrogen solubility in constitutional pure liquid metals and their interaction parameters. The calculated results have a good agreement with the documented experimental results. The closer the molten alloy to an ideal liquid is, the more accurate the calculated results are. The compound forming ability and molar mixing heat of the constitutional elements take important roles in influencing the hydrogen solubility in molten alloys.展开更多
Without considering the effects of alloying interaction on the Jominy end-quench curves, the prediction resuits obtained by YU Bai-hai＇s nonlinear equation method for multi-alloying steels were different from those e...Without considering the effects of alloying interaction on the Jominy end-quench curves, the prediction resuits obtained by YU Bai-hai＇s nonlinear equation method for multi-alloying steels were different from those experimental ones reported in literature. Some alloying elements have marked influence on Jominy end-quench curves of steels. An improved mathematical model for simulating the Jominy end-quench curves is proposed by introducing a parameter named alloying interactions equivalent （Le）. With the improved model, the Jominy end-quench curves of steels so obtained agree very well with the experimental ones.展开更多
In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed b...In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.展开更多
文摘An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used to represent the thermodynamics of binary alloys at higher concentrations. The present results reveal that it is an improper way to evaluate first and second-order interaction parameters simultaneously from the experimental data in the range of higher concentrations due to an inadequate accuracy Of high temperature experiments.
文摘Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency of these experimental data is tested with an available statistic method. Interaction parameters of the carbonate group -OCOO- with the group -CH3, ACH, CH3OH and CH3COO- in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAC parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMC and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower.
文摘In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.
基金This work was support by the National Natural Science Foundation of China(NSFC,No.2037402790103036).
文摘Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide concentration rangethat the non-combinatorial“entropic interaction”term (?)φ_1φ_2 perceptibly counteracts the mean field combinary entropy△S_(MF).With the increase of the solvent size,both (?) and the ratio (?)φ_1φ_2/△S_(MF) first reach their maximum and finallybecome trivially to zero.It is worth noting that no any demixing was found in the current calculation.This makes thecontroversial idea“entropically driven demixing”even elusive.However,we propose that further work on compressiblepolymer solution with structured monomer will witness the demixing owning to an increased configurational correlation.
基金This work was supported by the Joint Fund of the National Natural Science Foundation of China the Shanghai Baoshan Steel Complex under Grant No. 50274039.
文摘The molecular interaction volume model （MIVM） for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction parameter formalism （UIPF） can be used to predict the activities of solutes and solvents in the Fe-Cr-Ni liquid alloys. But the former employs only the infinite dilute activity coefficients, and the later is not applicable without the dilute binary and ternary interaction parameters. MIVM has a certain physical meaning from the viewpoint of statistical thermodynamics, so it is an alternative for the estimation of activity coefficients of the solutes and solvents in a dilute or finite concentration metal solution where the interaction parameters are absent or their accuracies are questionable.
文摘The artificial neural network method has been applied to the relationship between the atomic parameters and intemction packeters of binary alloy Phases, and the principle of thermodynamics in combination with artificial neural network method has been used for the computerized phase diagrams of continuous solid solution of bigamy alloy systems. The computerized phase diagrams well agree with the real phase diagmms.
文摘Quantitative description of vapor-liquid equilibrium is very useful for designing separation processes. In this study, we combined the Peng-Robinson equation and the Huron-Vidal-Orbey-Sandler mixing rule into a modified UNIFAC model for the improvement of predicting vapor-liquid equilibria. The predictions of vapor-liquid equilibria for 62 systems including alcohol- alkane, alcohol-benzene, and amine-water systems demonstrate that the revised parameters remarkably improve the prediction accuracy for many systems. Especially for amine-water system, the mean deviation of components decreases from 0.094 to 0.021, and the mean deviation of pressure from 22.45% to 4.41%.
基金the Brazilian Agencies CNPq,CAPES and FAPEMIG for financial support.
文摘Blends of polyacrylamide—PAM, poly(N-isopropylacrylamide)—PNIPAAm, poly(N-tert-butylacrylamide)—PTBAA, poly(N,N-dimethylacrylamide)—PDMAA and poly(N,N-diethylacrylamide)—PDEAA with poly(ethylene glycol)— PEG were prepared by casting in methanol and water at concentrations of 20 wt%, 40 wt%, 60 wt%, and 80 wt% in PEG. The miscibility of the components was studied by Differential Scanning Calorimetry—DSC. All blend systems are characterized by a single glass transition temperature (Tg), close to the Tg of the amorphous component. The Hoffman Weeks method was used to determine equilibrium melting temperature (Tm) data. The determination of the melt point depression of the blends allowed the calculation of Flory-Huggins interaction parameter (χ12) of the two polymers in the melt, by using the Nishi Wang equation. The interaction parameters, calculated for all the blends, are slightly negative and close to zero, suggesting a partial miscibility between the components.
基金support of this research by the National Natural Science Foundation of China(Grant Nos.51774025,51534001)Fundamental Research Funds for the Central Universities(Grant No.FRF-TP-20-009A1).
文摘The interaction parameters of Nb in Fe-C-Nb melts at 1873 K were measured using the chemical equilibrium method.The Fe-C melts were equilibrated with the CaO-MgO-Al_(2)O_(3)-NbO_(2) slags under a controlled oxygen potential for 24 h.In addition to acting as the protective gas,argon was adopted to control the oxygen potential.Based on the data obtained in the experiments,the activity interaction parameters were obtained by the multiple linear regression method.The first-order interaction parameters e_(Nb)^(C)and e_(Nb)^(Nb)are determined to be−0.035 and−0.134,respectively.The second-order interaction parameters r_(Nb)^(C),r_(Nb)^(Nb,C),and r_(Nb)……(Nb)are determined to be 0.011,−0.0063,and 0.0023,respectively.The thermodynamic data obtained are more reliable than those in previous publications for the Fe-C-Nb system when the Nb content range was 0.92-4.62 wt.%.
基金the National Science Center(No.UMO-2013/11/B/ST5/04473)the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program(Contract No.POIG.02.01.00-12-023/08).
文摘The substantial increase in the efficiency of organic solar cells achieved in recent years would not have been possible without work on the synthesis of new materials and understanding the relationship between the morphology and performance of organic photovoltaic devices.The structure of solvent-cast active layers is a result of phase separation in mixtures of donor and acceptor components.To a large extent,this process depends on the interactions between the components of the mixture.Here,we present a systematic analysis of the morphology of poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)](PCDTBT)and[6,6]-phenyl-C71-butyric acid methyl ester(PC70BM)films in terms of the ternary phase diagram.The interaction parameters between PCDTBT and four different solvents,namely chloroform,chlorobenzene,o-dichlorobenzene,and toluene,were estimated based on swelling experiments.Based on these values,ternary phase diagrams of PCDTBT:PC70BM in different solvents were calculated.The morphology of spin-coated films with different blend ratios cast from different solvents is discussed in terms of the obtained phase diagrams.
基金Item Sponsored by National Natural Science Foundation of China (50374002)
文摘Carbon solubility in Fe-Mn melts （XFe =0. 102 3-0. 789 9, XMn =0. 055 1-0. 638 0） was measured experimentally at various temperatures. Using Gibbs-Duhem equation, in combination with the experimental results in this work, quoting experimental data reported in references, and by strict thermodynamic derivation and calculation, the relation equations between the activity interaction parameters in Fe-C system and temperature were obtained. The calculation equation of lnyFe. in Fe-C system was also obtained. The calculated results show that these relation equations can be used to calculate the activity coefficients of carbon and iron in Fe-C system and can satisfy the necessary condition to satisfy Gibbs-Duhem equation and the necessary condition to satisfy the stability condition of system at high carbon content. The calculation formula for lnTc in Fe-Mn-C system was also obtained.
基金Supported by the National Natural Science Foundation of China （No.20436040）.
文摘Method for constructing the optimal water supply line and formulas for calculating the targets for single-contaminant regeneration recycling water systems are improved to apply to the situation of variational pararneters in this article. Based on these extending methods, the effect of varying freshwater consumption and regenerated water flow rate on the optimizing results are investigated. The interactions of parameters of regeneration recycling systems are summarized. Finally, all the conclusions are illustrated from the results of mathematical programming through an example.
基金This work was supported by Ministry of education of Taiwan(Grant No.H108-AA09)for funding,CHP for materials provision,and NCKU C-Hub for space and instruments.
文摘The paper investigates the second-order interactions of parameters in an alkali-activated mixture of paper production waste(PPW)and blast furnace slag(BFS)in Taguchi method.The PPW including lime mud(LM)and paper sludge(PS).This paper provides the experimental models to assess the compressive and flexural strength of them at 7-day and 28-day.The results have shown that the second-order interactions between PPW and alkali-activated activator exists in each experimental model,and the significant interactions affect the selection of optimal compositions.Compared with the interactions between the PPW themselves,the interactions between PPW and alkali-activated parameters are the main significant factors affecting its physical properties.In each experimental model,the maximum compressive strength was 47.41 MPa in 7-day and 65.64 MPa in 28-day.Compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 3.08%and 0.56%,respectively.The maximum flexural strength was 5.74 MPa in 7-day and 5.96 MPa in 28-day;compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 5.40%and 0.17%.Considering the influence of circular materials,30%of PPW should be a suitable ratio to replace BFS as the raw material of alkali-activated slag(AAS).
基金Project (No. 2004C31058) supported by the National NaturalScience Foundation of China
文摘The interaction in two mixtures of a nonionic surfactant AEO9 (C12H25O(CH2CH2O)9H) and different ionic surfactants was investigated. The two mixtures were AEO9/sodium dodecyl sulfate (SDS) and AEO9/cetyltrimethylammonium bromide (CTAB) at molar fraction of AEO9, A EO9 α =0.5. The surface properties of the surfactants, critical micelle concentration (CMC), effectiveness of surface tension reduction (γCMC), maximum surface excess concentration (Γmax) and minimum area per molecule at the air/solution interface (Amin) were determined for both individual surfactants and their mixtures. The significant deviations from ideal behavior (attractive interactions) of the nonionic/ionic surfactant mixtures were determined. Mixtures of both AEO9/SDS and AEO9/CTAB exhibited synergism in surface tension reduction efficiency and mixed micelle formation, but neither exhibited synergism in surface tension reduction effectiveness.
文摘The miscibility of poly(ethylene terephthalate (ET)- caprolactone (CL) (TCL)/poly(ethylene terephthalate) (PET) blends were examined by Differential Scanning Calorimeter (DSC). In these blends, a miscibility limit specified by ET content in the TCL was found to be about 70 (wt%). In the blends of TCL/TCL with different ET contents, a miscibility window defined by ET content was also found to range from 82 to 58 (wt%). Based on the experimental miscibility limits and the mean field binary interaction model, the interaction parameter between monomeric units of ET and CL was obtained.
文摘Experiments were carried out at 1873 K in a double-temperature zone furnace using vapor pressure method. The equilibriumtests of bedum vapor with liquid iron were conducted in CaO crucibles sealed in a Mo chamber. As a result, the experiments obtainedthe relation between the dissolved content of Ba in liquid iron and the vapor pressure of Ba and the standard Gibbs energies for the re-actions Ba(g)=[Ba] and Ba(l)=[Ba].
文摘Normal,R0,and anomalous,RS,components of the Hall coefficient are determined from the results of experimental investigations of temperature dependences of the Hall coefficient,magnetic susceptibility,and specific electrical resistance for intermetallic Gd3In,Gd3In5 and GdIn3 compounds.Effective parameters of spin-orbital interactionλSO of intermetallic compounds are calculated from anomalous components RS of the Hall coefficient and specific electrical resistance.The results calculated for the band parameters and effective parameters of spin-orbital interactionλSO for Gd-In system intermetallides coincide by orders of magnitude with the results obtained from the optical spectra of pure REMs(rare-earth metals).
基金Project (U0837603) supported by Joint Grant of National Natural Science Foundation and Yunnan Province, China Project (2092017) supported by the Beijing Natural Science Foundation, China
文摘A thermodynamic model was developed to calculate the hydrogen solubility in molten alloys based on the hydrogen solubility in constitutional pure liquid metals and their interaction parameters. The calculated results have a good agreement with the documented experimental results. The closer the molten alloy to an ideal liquid is, the more accurate the calculated results are. The compound forming ability and molar mixing heat of the constitutional elements take important roles in influencing the hydrogen solubility in molten alloys.
基金Item Sponsored by National Natural Science Foundation of China(50271009)
文摘Without considering the effects of alloying interaction on the Jominy end-quench curves, the prediction resuits obtained by YU Bai-hai＇s nonlinear equation method for multi-alloying steels were different from those experimental ones reported in literature. Some alloying elements have marked influence on Jominy end-quench curves of steels. An improved mathematical model for simulating the Jominy end-quench curves is proposed by introducing a parameter named alloying interactions equivalent （Le）. With the improved model, the Jominy end-quench curves of steels so obtained agree very well with the experimental ones.
文摘In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.
