The effect of sulfur compounds （including sulfur, sulfide, sulfite and sulfate）, initial concentration of heavy metal and operating conditions on Cd emission in municipal solid waste （MSW） incineration were invest...The effect of sulfur compounds （including sulfur, sulfide, sulfite and sulfate）, initial concentration of heavy metal and operating conditions on Cd emission in municipal solid waste （MSW） incineration were investi-gated using a simulated tubular furnace and simulated MSW spiked with Cd. The concentration of Cd was meas-ured by inductively coupled plasma-atomic emission spectrometry （ICP-AES） after digesting the samples including bottom ash, fly ash and flue gas according to related USEPA methods. The results show that S and Na2S tend to in- crease Cd partitioning in bottom ash, whereas Na2SO3 and Na2SO4 tend to reduce Cd partitioning in bottom ash. The effect of sulfur compounds on Cd partitioning in bottom ash was in the sequence of Na2S〉S〉Na2SO3〉 Na2SO4. chemical equilibrium analysis is also performed to determine the effect of sorbents on Cd adsorption. The calculations show that S presents strong affinity for Cd and restrains Cd adsorption by SiO2, whereas when temperature rises to between 830℃ and 1030℃, Cd adsorption efficiency of SiO2 is over 80% and the efficiency of Al2O3 is up to 85%.展开更多
Segregation and inclusion precipitation are the common behaviours of steel solidification, which are resulted from the redistribution and diffusion of the solute elements at the solid-liquid interface. The effect of t...Segregation and inclusion precipitation are the common behaviours of steel solidification, which are resulted from the redistribution and diffusion of the solute elements at the solid-liquid interface. The effect of the phase transition of high-sulfur free-cutting steel is quantified in the present work for the solute partition coefficient(ki), inclusion precipitation, and microsegregation by establishing a coupling model of microsegregation and inclusion precipitation, wherein the quantified dependencies of ki in terms of temperature, phase and carbon(C) content were applied. Results showed that the solidification temperature range and phase transition of high-sulfur steel that under different solidification paths and C contents were quite different, leading to differences in ki and eventually in microsegregation. kC,kP, and kS were mainly affected by phase composition and kSi was primarily by temperature, while kMn depended on both phase composition and temperature during solidification. Increasing the C content within the interval 0.07-0.48 wt%, the ‘proportion of the δ phase maintained temperature region during solidification’(Pδ), kave Pand kave S(kiave, the average value of the ki across the whole stages of solidification)decreased monotonically, whereas kave Cincreased linearly. The peritectic reaction impacted on the phase composition and ki, leading to the change in microsegregation. Such effect of the peritectic reaction was more significant at the last stage of solidification. When the Pδ was between 75% and 100%(corresponding to 0.07-0.16 wt% C), the solidification path resulted in a greater effect on the microsegregation of solutes C, P, and S because of the peritectic reaction. The microsegregation of solutes Mn and S were comprehensively influenced by kMn, kS and Mn S precipitation as well. The studies would help reveal the solute redistribution at the solid-liquid interface, and improve the segregation of high-sulfur steel by controlling the solidification and precipitation in practice.展开更多
根据钢厂100 t BOF-吹氩-LF-RH-Ca处理流程生产优质深冲(DDQ)级深冲热轧带钢SPHE(%:≤0.07C、≤0.03Si、0.20～0.30Mn、≤0.020P、≤0.010S、0.02～0.06Als)时Ca处理过程S含量过高的情况,通过KTH硫容量模型,分析了CaO/SiO_2、Al_2O_3和...根据钢厂100 t BOF-吹氩-LF-RH-Ca处理流程生产优质深冲(DDQ)级深冲热轧带钢SPHE(%:≤0.07C、≤0.03Si、0.20～0.30Mn、≤0.020P、≤0.010S、0.02～0.06Als)时Ca处理过程S含量过高的情况,通过KTH硫容量模型,分析了CaO/SiO_2、Al_2O_3和MgO对精炼渣硫分配比L_S的影响,建立了CaO-MgO-SiO_2-Al_2O_3四元渣系脱硫模型,优化LF脱硫的精炼渣成分。结果表明,使用优化后的精炼渣(%:50CaO、6MgO、≤5SiO_2、30～35Al_2O_3),LF精炼钢水的脱硫率≥80%。模型预测值与实测值误差为±5%的占80%。展开更多
In this work a multi-objective quantitative structure-property relationship (QSPR) analysis approach was reported based on the study on three partition properties of 50 aromatic sulfur-containing carboxylates. Here mu...In this work a multi-objective quantitative structure-property relationship (QSPR) analysis approach was reported based on the study on three partition properties of 50 aromatic sulfur-containing carboxylates. Here multi-objectives (properties) were taken as a vector for QSPR modeling. The quantitative correlations for partition properties were developed using a genetic algorithm-based variable-selection approach with quantum chemical descriptors derived from AM1-based calculations. With the QSPR models, the aqueous solubility, octanol/water partition coefficients and reversed-phase HPLC capacity factors of sulfur-containing compounds were estimated and predicted. Using GA-based multivariate linear regression with cross-validation procedure, a set of the most promising descriptors was selected from a pool of 28 quantum chemical semi-empirical descriptors, including steric and electronic types, to integrally build QSPR models. The selected molecular descriptors included the net charges on carboxyl group (Q OC), the 2nd power of net charges on nitrogen atoms (Q 2 N), the net atomic charge on the sulfur atoms (Q S), the van der Waals volume of molecule (V), the most positive net atomic charge on hydrogen atoms (Q H) and the measure of polarity and polarizability (π), which were main factors affecting the distribution processes of the compounds under study. The statistically best QSPR models of six descriptors were simultaneously obtained by GA-based linear regression analysis. With the selected descriptors and the QSPR equations, mechanisms of partition action of the Sulfur-containing carboxylates were able to be investigated and interpreted.展开更多
There is quite abundant resource of ludwigite ore in Liaoning Province of China. Content of MgO in the slag of pyrometallurgical separation of boron from iron is much higher than that in the ordinary slags. Through th...There is quite abundant resource of ludwigite ore in Liaoning Province of China. Content of MgO in the slag of pyrometallurgical separation of boron from iron is much higher than that in the ordinary slags. Through the equilibrium partition ratio of sulfur L S between the metal and the slag in an atmosphere of CO N 2, the acidic coefficients for B 2O 3 and the basic coefficients for MgO were estimated. The basic formulae were given for the blast furnace type slag containing B 2O 3 and high MgO.展开更多
Desulfurization performance with low binary basicity refining slag in 72 grade tire cord steel was calculated using FactSage and it is found that sulfur content in steel decreases with the increase of basicity of slag...Desulfurization performance with low binary basicity refining slag in 72 grade tire cord steel was calculated using FactSage and it is found that sulfur content in steel decreases with the increase of basicity of slag, MgO content in slag and slag/steel ratio while sulfur partition ratio between slag and steel increases gradually with the increase of basicity of slag as well as MgO content. Experiments were carried out and the results are of great agreements with theoretical calculation. Then industrial application tests were performed in a domestic plant and good results were achieved. Sulfur content in steel decreases gradually during refining process, as a result, sulfur content in the billets is controlled in the range of 0.007 1%-0.008 1%. Sulfur content in steel refined with slag basicity of 1.21 is lower than that of 1.02, while the plasticity of oxide compound inclusions is a little better controlled in low basicity heats. Using refining slag with basicity of 1.0-1.2 and MgO content of 5%-10% and reducing the slag takeover of LD are favorable for improving the desulfurization performance and the plasticity of inclusions during the industrial production.展开更多
Ferrotitanium is used as a deoxidizer and alloying agent during steelmaking process,which has a high demand for sulfur control.Sulfur was introduced from raw materials in the process of producing ferrotitanium by ther...Ferrotitanium is used as a deoxidizer and alloying agent during steelmaking process,which has a high demand for sulfur control.Sulfur was introduced from raw materials in the process of producing ferrotitanium by thermite method,where CaO was used as fluxing agent.At the same time,CaO has a great desulfurization capability.Effects of CaO addition on the distribution of sulfur in high titanium ferroalloy prepared by thermite method were studied in this work.The equilibrium diagram of Ti-AlFe-S system was calculated by FactSage 6.4 software package with FactPS and FTmisc database.The alloy and slag samples were characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),inductively coupled plasma atomic emission spectrometer(ICP-AES),X-ray fluorescence(XRF)and high-frequency infrared ray carbon sulfur analyzer.The result indicates that the sulfur in the alloy firstly exists in the form of liquid FeS,thereafter TiS(s)and eventually Ti2 S(s)during cooling.The sulfur is mainly distributed in the alloy,and only a small amount of sulfur remains in the slag.Moreover,it is noted that the sulfur in the alloy does not distribute homogeneously,and it exists in the form of solid solution phase,(Ti,Al,Fe)S.S content in the slag,the sulfur capacity of the slag and the sulfur distribution ratio(LS)all increase with the increment of CaO addition,while S content in alloys decreases.展开更多
The thermodynamic characteristics of desulfurization reaction (CaO)+[S]=(CaS)+[O] is analyzed based on the detailed composition of liquid steel and slag of Steel Plate Hot Commercial (SPHC) in Jiuquan Iron & Steel...The thermodynamic characteristics of desulfurization reaction (CaO)+[S]=(CaS)+[O] is analyzed based on the detailed composition of liquid steel and slag of Steel Plate Hot Commercial (SPHC) in Jiuquan Iron & Steel Corporation(JISC), where the activities of CaO, CaS and Al2O3 in molten slag are calculated by thermodynamic software FactSage for a more accurate result. The critical values of [O%]/[S%] for desulfurization at different temperature is are obtained, typically 0.09 at 1873K, which shows directly that it should deoxidize adequately for obtaining a favorable desulfurization condition. In addition, the thermodynamic analysis indicates that the actual dissolved O is much higher than that of equilibrium calculation which shows Al-O reaction in LF is far away from equilibrium, but it is perfect agreement with the computing results when taking the activity of Al2O3 as 1 that due to the inclusion component in LF is mainly Al2O3. Besides, with the temperature rise, the sulfur partition ratio increases softly meanwhile the reaction between Al and O is limited to a great degree resulting in the increase a dissolved oxygen in liquid steel that decreases the sulfur partition ratio seriously. As a result, the sulfur partition ratio appears to decrease with temperature increase in Al killed steel.展开更多
Steel and slag samples were taken at the start and the end of LF refining for steel plate cold common （SPCC）, in the compact strip production （CSP） process, and at the same time, the temperature and oxygen activit...Steel and slag samples were taken at the start and the end of LF refining for steel plate cold common （SPCC）, in the compact strip production （CSP） process, and at the same time, the temperature and oxygen activity a[o] were measured by using an oxygen sensor. Furthermore, inclusions in steel samples were monitored by scanning electron microscopy （SEM） combined with energy dispersive spectroscopy （EDS）. It was confirmed that a [o] in liq- uid steel was in equilibrium with inclusion rather than with top slag during LF refining. Desulfurization was related to deoxidation since a[o] at slag-steel interface was clarified to be very close to that in liquid steel under the specific con- dition in LF with intense stirring by argon blowing and refined by highly basic low oxidizing slag for Al-killed steel. Sulfur partition ratio （Ls） was very sensitive to a[o]. Since a[o] increased rapidly with temperature rise, it not only offset promotion to desulfurization reaction with temperature rise but decreased Ls. For Al-killed steel, the.modifica- tion of Al2O3 for lowering the activity of Al2O3 in inclusion was believed to be favorable for both deoxidation and desulfurization during LF refining.展开更多
文摘The effect of sulfur compounds （including sulfur, sulfide, sulfite and sulfate）, initial concentration of heavy metal and operating conditions on Cd emission in municipal solid waste （MSW） incineration were investi-gated using a simulated tubular furnace and simulated MSW spiked with Cd. The concentration of Cd was meas-ured by inductively coupled plasma-atomic emission spectrometry （ICP-AES） after digesting the samples including bottom ash, fly ash and flue gas according to related USEPA methods. The results show that S and Na2S tend to in- crease Cd partitioning in bottom ash, whereas Na2SO3 and Na2SO4 tend to reduce Cd partitioning in bottom ash. The effect of sulfur compounds on Cd partitioning in bottom ash was in the sequence of Na2S〉S〉Na2SO3〉 Na2SO4. chemical equilibrium analysis is also performed to determine the effect of sorbents on Cd adsorption. The calculations show that S presents strong affinity for Cd and restrains Cd adsorption by SiO2, whereas when temperature rises to between 830℃ and 1030℃, Cd adsorption efficiency of SiO2 is over 80% and the efficiency of Al2O3 is up to 85%.
基金financially supported by the National Natural Science Foundation of China (Nos. 51504048, 51611130062, 51874059 and 51874060)the Natural Science Foundation of Chongqing (No. cstc2018jcyjAX0647)the Fundamental Research Funds for the Central Universities of China (No. cqu2018CDHB1B05)
文摘Segregation and inclusion precipitation are the common behaviours of steel solidification, which are resulted from the redistribution and diffusion of the solute elements at the solid-liquid interface. The effect of the phase transition of high-sulfur free-cutting steel is quantified in the present work for the solute partition coefficient(ki), inclusion precipitation, and microsegregation by establishing a coupling model of microsegregation and inclusion precipitation, wherein the quantified dependencies of ki in terms of temperature, phase and carbon(C) content were applied. Results showed that the solidification temperature range and phase transition of high-sulfur steel that under different solidification paths and C contents were quite different, leading to differences in ki and eventually in microsegregation. kC,kP, and kS were mainly affected by phase composition and kSi was primarily by temperature, while kMn depended on both phase composition and temperature during solidification. Increasing the C content within the interval 0.07-0.48 wt%, the ‘proportion of the δ phase maintained temperature region during solidification’(Pδ), kave Pand kave S(kiave, the average value of the ki across the whole stages of solidification)decreased monotonically, whereas kave Cincreased linearly. The peritectic reaction impacted on the phase composition and ki, leading to the change in microsegregation. Such effect of the peritectic reaction was more significant at the last stage of solidification. When the Pδ was between 75% and 100%(corresponding to 0.07-0.16 wt% C), the solidification path resulted in a greater effect on the microsegregation of solutes C, P, and S because of the peritectic reaction. The microsegregation of solutes Mn and S were comprehensively influenced by kMn, kS and Mn S precipitation as well. The studies would help reveal the solute redistribution at the solid-liquid interface, and improve the segregation of high-sulfur steel by controlling the solidification and precipitation in practice.
文摘根据钢厂100 t BOF-吹氩-LF-RH-Ca处理流程生产优质深冲(DDQ)级深冲热轧带钢SPHE(%:≤0.07C、≤0.03Si、0.20～0.30Mn、≤0.020P、≤0.010S、0.02～0.06Als)时Ca处理过程S含量过高的情况,通过KTH硫容量模型,分析了CaO/SiO_2、Al_2O_3和MgO对精炼渣硫分配比L_S的影响,建立了CaO-MgO-SiO_2-Al_2O_3四元渣系脱硫模型,优化LF脱硫的精炼渣成分。结果表明,使用优化后的精炼渣(%:50CaO、6MgO、≤5SiO_2、30～35Al_2O_3),LF精炼钢水的脱硫率≥80%。模型预测值与实测值误差为±5%的占80%。
文摘In this work a multi-objective quantitative structure-property relationship (QSPR) analysis approach was reported based on the study on three partition properties of 50 aromatic sulfur-containing carboxylates. Here multi-objectives (properties) were taken as a vector for QSPR modeling. The quantitative correlations for partition properties were developed using a genetic algorithm-based variable-selection approach with quantum chemical descriptors derived from AM1-based calculations. With the QSPR models, the aqueous solubility, octanol/water partition coefficients and reversed-phase HPLC capacity factors of sulfur-containing compounds were estimated and predicted. Using GA-based multivariate linear regression with cross-validation procedure, a set of the most promising descriptors was selected from a pool of 28 quantum chemical semi-empirical descriptors, including steric and electronic types, to integrally build QSPR models. The selected molecular descriptors included the net charges on carboxyl group (Q OC), the 2nd power of net charges on nitrogen atoms (Q 2 N), the net atomic charge on the sulfur atoms (Q S), the van der Waals volume of molecule (V), the most positive net atomic charge on hydrogen atoms (Q H) and the measure of polarity and polarizability (π), which were main factors affecting the distribution processes of the compounds under study. The statistically best QSPR models of six descriptors were simultaneously obtained by GA-based linear regression analysis. With the selected descriptors and the QSPR equations, mechanisms of partition action of the Sulfur-containing carboxylates were able to be investigated and interpreted.
文摘There is quite abundant resource of ludwigite ore in Liaoning Province of China. Content of MgO in the slag of pyrometallurgical separation of boron from iron is much higher than that in the ordinary slags. Through the equilibrium partition ratio of sulfur L S between the metal and the slag in an atmosphere of CO N 2, the acidic coefficients for B 2O 3 and the basic coefficients for MgO were estimated. The basic formulae were given for the blast furnace type slag containing B 2O 3 and high MgO.
基金Item Sponsored by National Key Basic Research and Development Program of China(2010CB30806)Central South University Postdoctoral Funded Project of China(120961)
文摘Desulfurization performance with low binary basicity refining slag in 72 grade tire cord steel was calculated using FactSage and it is found that sulfur content in steel decreases with the increase of basicity of slag, MgO content in slag and slag/steel ratio while sulfur partition ratio between slag and steel increases gradually with the increase of basicity of slag as well as MgO content. Experiments were carried out and the results are of great agreements with theoretical calculation. Then industrial application tests were performed in a domestic plant and good results were achieved. Sulfur content in steel decreases gradually during refining process, as a result, sulfur content in the billets is controlled in the range of 0.007 1%-0.008 1%. Sulfur content in steel refined with slag basicity of 1.21 is lower than that of 1.02, while the plasticity of oxide compound inclusions is a little better controlled in low basicity heats. Using refining slag with basicity of 1.0-1.2 and MgO content of 5%-10% and reducing the slag takeover of LD are favorable for improving the desulfurization performance and the plasticity of inclusions during the industrial production.
基金financially supported by the National Natural Science Foundation of China(Nos.51422403 and51504064)the Fundamental Research Funds for the Central Universities(No.N162505002)the National Basic Research Program of China(No.2013CB632606)
文摘Ferrotitanium is used as a deoxidizer and alloying agent during steelmaking process,which has a high demand for sulfur control.Sulfur was introduced from raw materials in the process of producing ferrotitanium by thermite method,where CaO was used as fluxing agent.At the same time,CaO has a great desulfurization capability.Effects of CaO addition on the distribution of sulfur in high titanium ferroalloy prepared by thermite method were studied in this work.The equilibrium diagram of Ti-AlFe-S system was calculated by FactSage 6.4 software package with FactPS and FTmisc database.The alloy and slag samples were characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),inductively coupled plasma atomic emission spectrometer(ICP-AES),X-ray fluorescence(XRF)and high-frequency infrared ray carbon sulfur analyzer.The result indicates that the sulfur in the alloy firstly exists in the form of liquid FeS,thereafter TiS(s)and eventually Ti2 S(s)during cooling.The sulfur is mainly distributed in the alloy,and only a small amount of sulfur remains in the slag.Moreover,it is noted that the sulfur in the alloy does not distribute homogeneously,and it exists in the form of solid solution phase,(Ti,Al,Fe)S.S content in the slag,the sulfur capacity of the slag and the sulfur distribution ratio(LS)all increase with the increment of CaO addition,while S content in alloys decreases.
文摘The thermodynamic characteristics of desulfurization reaction (CaO)+[S]=(CaS)+[O] is analyzed based on the detailed composition of liquid steel and slag of Steel Plate Hot Commercial (SPHC) in Jiuquan Iron & Steel Corporation(JISC), where the activities of CaO, CaS and Al2O3 in molten slag are calculated by thermodynamic software FactSage for a more accurate result. The critical values of [O%]/[S%] for desulfurization at different temperature is are obtained, typically 0.09 at 1873K, which shows directly that it should deoxidize adequately for obtaining a favorable desulfurization condition. In addition, the thermodynamic analysis indicates that the actual dissolved O is much higher than that of equilibrium calculation which shows Al-O reaction in LF is far away from equilibrium, but it is perfect agreement with the computing results when taking the activity of Al2O3 as 1 that due to the inclusion component in LF is mainly Al2O3. Besides, with the temperature rise, the sulfur partition ratio increases softly meanwhile the reaction between Al and O is limited to a great degree resulting in the increase a dissolved oxygen in liquid steel that decreases the sulfur partition ratio seriously. As a result, the sulfur partition ratio appears to decrease with temperature increase in Al killed steel.
基金Item Sponsored by National Natural Science Foundation of China(61271303)
文摘Steel and slag samples were taken at the start and the end of LF refining for steel plate cold common （SPCC）, in the compact strip production （CSP） process, and at the same time, the temperature and oxygen activity a[o] were measured by using an oxygen sensor. Furthermore, inclusions in steel samples were monitored by scanning electron microscopy （SEM） combined with energy dispersive spectroscopy （EDS）. It was confirmed that a [o] in liq- uid steel was in equilibrium with inclusion rather than with top slag during LF refining. Desulfurization was related to deoxidation since a[o] at slag-steel interface was clarified to be very close to that in liquid steel under the specific con- dition in LF with intense stirring by argon blowing and refined by highly basic low oxidizing slag for Al-killed steel. Sulfur partition ratio （Ls） was very sensitive to a[o]. Since a[o] increased rapidly with temperature rise, it not only offset promotion to desulfurization reaction with temperature rise but decreased Ls. For Al-killed steel, the.modifica- tion of Al2O3 for lowering the activity of Al2O3 in inclusion was believed to be favorable for both deoxidation and desulfurization during LF refining.
