Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TM...Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TMOs)are regarded as potential substitutes for PGMs because of their stability in oxidizing environments and excellent catalytic performance.In this study,comprehensive investigation into the influence of elastic strains on the adsorption energies of carbon(C),hydrogen(H)and oxygen(O)on TMOs was conducted.Based on density functional theory(DFT)calculations,these effects in both tetragonal structures(PtO_(2),PdO_(2))and hexagonal structures(ZnO,CdO),along with their respective transition metals were systematically explored.It was identified that the optimal adsorption sites on metal oxides pinpointed the top of oxygen or the top of metal atom,while face-centered cubic(FCC)and hexagonal close-packed(HCP)holes were preferred for the transition metals.Furthermore,under the influence of elastic strains,the results demonstrated significant disparities in the adsorption energies of H and O between oxides and transition metals.Despite these differences,the effect of elastic strains on the adsorption energies of C,H and O on TMOs mirrored those on transition metals:adsorption energies increased under compressive strains,indicating weaker adsorption,and decreased under tension strains,indicating stronger adsorption.This behavior was rationalized based on the d-band model for adsorption atop a metallic atom or the p-band model for adsorption atop an oxygen atom.Consequently,elastic strains present a promising avenue for tailoring the catalytic properties of TMOs.展开更多
An attempt was made to build up a thick and compact oxide layer rapidly by pre-treating the Pb-Ag-Nd anode in fluoride-containing H2SO4 solution. The passivation reaction of Pb-Ag-Nd anode during pre-treatment process...An attempt was made to build up a thick and compact oxide layer rapidly by pre-treating the Pb-Ag-Nd anode in fluoride-containing H2SO4 solution. The passivation reaction of Pb-Ag-Nd anode during pre-treatment process was investigated using cyclic voltammetry, linear scanning voltammetry, environmental scanning electron microscopy and X-ray diffraction analysis. The results show that Pb F2 and PbSO4 are formed near the potential of Pb/PbSO4 couple. The pre-treatment in fluoride-containing H2SO4 solution contributes to the formation of a thick, compact and adherent passive film. Furthermore, pre-treatment in fluoride-containing H2SO4 solution also facilitates the formation of PbO2 on the anodic layer, and the reason could be attributed to the formation of more PbF2 and PbSO4 during the pre-treatment which tend to transform to PbO2 during the following electrowinning process. In addition, the anodic layer on anode with pre-treatment in fluoride-containing H2SO4 solution is thick and compact, and its predominant composition is β-PbO2. In summary, the pre-treatment in fluoride-containing H2SO4 solution benefits the formation of a desirable protective layer in a short time.展开更多
Electrical steel sheets with 6.5%(mas fraction) Si with good shapes and superior magnetic inductions were successfully produced by a specially designed processing route including ingot casting, hot rolling and warm ro...Electrical steel sheets with 6.5%(mas fraction) Si with good shapes and superior magnetic inductions were successfully produced by a specially designed processing route including ingot casting, hot rolling and warm rolling both with interpass thermal treatment, and final annealing. The sheets were of 0.2 mm and 0.3 mm thick over 140 mm width. A detailed study of the microstructural and textural evolutions from the hot rolling to annealing was carried out by optical microscopy, X-ray diffraction and electron backscattered diffraction. The hot rolled sheet characterized by near-equiaxed grains was dominated by the mixture of <001>//ND fiber(λ-fiber), <110>//RD fiber(α-fiber) and <111>//ND fiber(γ-fiber) textures owing to the partial recrystallization and strain induced boundary migration(SIBM) during the hot rolling interpass thermal treatment. The static recovery and SIBM during the warm rolling interpass thermal treatment result in large and elongated warm rolling grains. The warm rolling texture is dominated by obvious λ, Goss and strong γ-fiber textures. The application of the interpass thermal treatment during hot and warm rolling significantly enhances the impact of SIBM during annealing, which is responsible for the formation of the moderate λ-fiber, some near-λ fiber texture components and the obviously weakened γ-fiber texture in the annealed sheet, leading to a higher magnetic induction compared to the commercially produced 6.5% Si steel by chemical vapor deposition(CVD).展开更多
To analyze the feasibility of utilization of thermal technology in fly ash treatment, thermal properties and microstructures of municipal solid waste incineration （MSW1） fly ash were studied by measuring the chemica...To analyze the feasibility of utilization of thermal technology in fly ash treatment, thermal properties and microstructures of municipal solid waste incineration （MSW1） fly ash were studied by measuring the chemical element composition, specific surface area, pore sizes, functional groups, TEM image, mineralogy and DSC-TG curves of raw and sintered fly ash specimens. The results show that MSWI fly ash particles mostly have irregular shapes and non-typical pore structure, and the supersonic treatment improves the pore structure; MSWI fly ash consists of Such crystals as SiO2, CaSO4 and silica-aluminates, and some soluble salts like KCl and NaCl. During the sintering process, mineralogy changes largely and novel solid solutions are produced gradually with the rise of temperature. Therefore, the utilization of a proper thermal technology not only destructs those persistent organic toxicants but also stabilizes hazardous heavy metals in MSWI fly ash.展开更多
Solid wastes derived from metallurgical industries pose a significant threat to environment. The utilization and disposal of these solid wastes are the major concern in the world. Semi-coke generated in coal-based dir...Solid wastes derived from metallurgical industries pose a significant threat to environment. The utilization and disposal of these solid wastes are the major concern in the world. Semi-coke generated in coal-based direct reduction process of iron ore is a by-product and its suitable utilization is not available so far. In order to handle it properly, the characteristics of this by-product were comprehensively investigated. A series of analysis methods were used to demonstrate its mineral compositions, petrography and physico-chemical properties. The results reveal that the semi-coke has poor washability. The fixed carbon content of semi-coke reaches 76.11% and the gross calorific value is 28.10 MJ/kg, both of which are similar to those of traditional sinter coke breeze. Also, semi-coke ash possesses lower content of SiO2, Al2O3, S and higher content of CaO and MgO, which could improve the strength of sinter ore when partially substituting for coke breeze in sintering. Semi-coke features well-development porous structure and higher reaction activity, which predicts that the sintering speed could be elevated to some extent when employing it as a partial replacement of coke breeze, so the studies further suggest that the potential adverse effect of the high reactivity on sintering process could be weakened by adequately coarsening the semi-coke's particle size.展开更多
A novel immune algorithm suitable for dynamic environments (AIDE) was proposed based on a biological immune response principle.The dynamic process of artificial immune response with operators such as immune cloning,mu...A novel immune algorithm suitable for dynamic environments (AIDE) was proposed based on a biological immune response principle.The dynamic process of artificial immune response with operators such as immune cloning,multi-scale variation and gradient-based diversity was modeled.Because the immune cloning operator was derived from a stimulation and suppression effect between antibodies and antigens,a sigmoid model that can clearly describe clonal proliferation was proposed.In addition,with the introduction of multiple populations and multi-scale variation,the algorithm can well maintain the population diversity during the dynamic searching process.Unlike traditional artificial immune algorithms,which require randomly generated cells added to the current population to explore its fitness landscape,AIDE uses a gradient-based diversity operator to speed up the optimization in the dynamic environments.Several reported algorithms were compared with AIDE by using Moving Peaks Benchmarks.Preliminary experiments show that AIDE can maintain high population diversity during the search process,simultaneously can speed up the optimization.Thus,AIDE is useful for the optimization of dynamic environments.展开更多
基金Science and Technology Commission of Shanghai Municipality(21ZR1472900,22ZR1471600)。
文摘Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TMOs)are regarded as potential substitutes for PGMs because of their stability in oxidizing environments and excellent catalytic performance.In this study,comprehensive investigation into the influence of elastic strains on the adsorption energies of carbon(C),hydrogen(H)and oxygen(O)on TMOs was conducted.Based on density functional theory(DFT)calculations,these effects in both tetragonal structures(PtO_(2),PdO_(2))and hexagonal structures(ZnO,CdO),along with their respective transition metals were systematically explored.It was identified that the optimal adsorption sites on metal oxides pinpointed the top of oxygen or the top of metal atom,while face-centered cubic(FCC)and hexagonal close-packed(HCP)holes were preferred for the transition metals.Furthermore,under the influence of elastic strains,the results demonstrated significant disparities in the adsorption energies of H and O between oxides and transition metals.Despite these differences,the effect of elastic strains on the adsorption energies of C,H and O on TMOs mirrored those on transition metals:adsorption energies increased under compressive strains,indicating weaker adsorption,and decreased under tension strains,indicating stronger adsorption.This behavior was rationalized based on the d-band model for adsorption atop a metallic atom or the p-band model for adsorption atop an oxygen atom.Consequently,elastic strains present a promising avenue for tailoring the catalytic properties of TMOs.
基金Projects(51204208,51374240)supported by the National Natural Science Foundation of ChinaProject(2014zzts028)supported by the Fundamental Research Funds for the Central Universities of Central South University,China
文摘An attempt was made to build up a thick and compact oxide layer rapidly by pre-treating the Pb-Ag-Nd anode in fluoride-containing H2SO4 solution. The passivation reaction of Pb-Ag-Nd anode during pre-treatment process was investigated using cyclic voltammetry, linear scanning voltammetry, environmental scanning electron microscopy and X-ray diffraction analysis. The results show that Pb F2 and PbSO4 are formed near the potential of Pb/PbSO4 couple. The pre-treatment in fluoride-containing H2SO4 solution contributes to the formation of a thick, compact and adherent passive film. Furthermore, pre-treatment in fluoride-containing H2SO4 solution also facilitates the formation of PbO2 on the anodic layer, and the reason could be attributed to the formation of more PbF2 and PbSO4 during the pre-treatment which tend to transform to PbO2 during the following electrowinning process. In addition, the anodic layer on anode with pre-treatment in fluoride-containing H2SO4 solution is thick and compact, and its predominant composition is β-PbO2. In summary, the pre-treatment in fluoride-containing H2SO4 solution benefits the formation of a desirable protective layer in a short time.
基金Projects(51004035,51374002,50734001)supported by the National Natural Science Foundation of ChinaProject(2012BAE03B00)supported by the National Key Technology R&D Program,China+1 种基金Project(2012AA03A506)supported by the High-tech R&D Program,ChinaProject(N120407009)supported by the Fundamental Research Funds for the Central Universities,China
文摘Electrical steel sheets with 6.5%(mas fraction) Si with good shapes and superior magnetic inductions were successfully produced by a specially designed processing route including ingot casting, hot rolling and warm rolling both with interpass thermal treatment, and final annealing. The sheets were of 0.2 mm and 0.3 mm thick over 140 mm width. A detailed study of the microstructural and textural evolutions from the hot rolling to annealing was carried out by optical microscopy, X-ray diffraction and electron backscattered diffraction. The hot rolled sheet characterized by near-equiaxed grains was dominated by the mixture of <001>//ND fiber(λ-fiber), <110>//RD fiber(α-fiber) and <111>//ND fiber(γ-fiber) textures owing to the partial recrystallization and strain induced boundary migration(SIBM) during the hot rolling interpass thermal treatment. The static recovery and SIBM during the warm rolling interpass thermal treatment result in large and elongated warm rolling grains. The warm rolling texture is dominated by obvious λ, Goss and strong γ-fiber textures. The application of the interpass thermal treatment during hot and warm rolling significantly enhances the impact of SIBM during annealing, which is responsible for the formation of the moderate λ-fiber, some near-λ fiber texture components and the obviously weakened γ-fiber texture in the annealed sheet, leading to a higher magnetic induction compared to the commercially produced 6.5% Si steel by chemical vapor deposition(CVD).
基金Project(50808184) supported by the National Natural Science Foundation of China
文摘To analyze the feasibility of utilization of thermal technology in fly ash treatment, thermal properties and microstructures of municipal solid waste incineration （MSW1） fly ash were studied by measuring the chemical element composition, specific surface area, pore sizes, functional groups, TEM image, mineralogy and DSC-TG curves of raw and sintered fly ash specimens. The results show that MSWI fly ash particles mostly have irregular shapes and non-typical pore structure, and the supersonic treatment improves the pore structure; MSWI fly ash consists of Such crystals as SiO2, CaSO4 and silica-aluminates, and some soluble salts like KCl and NaCl. During the sintering process, mineralogy changes largely and novel solid solutions are produced gradually with the rise of temperature. Therefore, the utilization of a proper thermal technology not only destructs those persistent organic toxicants but also stabilizes hazardous heavy metals in MSWI fly ash.
基金Project(2011GH561685)supported by the China Torch Program
文摘Solid wastes derived from metallurgical industries pose a significant threat to environment. The utilization and disposal of these solid wastes are the major concern in the world. Semi-coke generated in coal-based direct reduction process of iron ore is a by-product and its suitable utilization is not available so far. In order to handle it properly, the characteristics of this by-product were comprehensively investigated. A series of analysis methods were used to demonstrate its mineral compositions, petrography and physico-chemical properties. The results reveal that the semi-coke has poor washability. The fixed carbon content of semi-coke reaches 76.11% and the gross calorific value is 28.10 MJ/kg, both of which are similar to those of traditional sinter coke breeze. Also, semi-coke ash possesses lower content of SiO2, Al2O3, S and higher content of CaO and MgO, which could improve the strength of sinter ore when partially substituting for coke breeze in sintering. Semi-coke features well-development porous structure and higher reaction activity, which predicts that the sintering speed could be elevated to some extent when employing it as a partial replacement of coke breeze, so the studies further suggest that the potential adverse effect of the high reactivity on sintering process could be weakened by adequately coarsening the semi-coke's particle size.
基金Project(60625302) supported by the National Natural Science Foundation for Distinguished Young Scholars of ChinaProject(2009CB320603) supported by the National Basic Research Program of China+5 种基金Projects(10dz1121900,10JC1403400) supported by Shanghai Key Technologies R & D ProgramProject supported by the Fundamental Research Funds for the Central Universities in ChinaProject(200802511011) supported by the New Teacher Program of Specialized Research Fund for the Doctoral Program of Higher Education in ChinaProject(Y1090548) supported by Zhejiang Provincial Natural Science Fund,ChinaProject(2011C21077) supported by Zhejiang Technology Programme,ChinaProject(2011A610173) supported by Ningbo Natural Science Fund,China
文摘A novel immune algorithm suitable for dynamic environments (AIDE) was proposed based on a biological immune response principle.The dynamic process of artificial immune response with operators such as immune cloning,multi-scale variation and gradient-based diversity was modeled.Because the immune cloning operator was derived from a stimulation and suppression effect between antibodies and antigens,a sigmoid model that can clearly describe clonal proliferation was proposed.In addition,with the introduction of multiple populations and multi-scale variation,the algorithm can well maintain the population diversity during the dynamic searching process.Unlike traditional artificial immune algorithms,which require randomly generated cells added to the current population to explore its fitness landscape,AIDE uses a gradient-based diversity operator to speed up the optimization in the dynamic environments.Several reported algorithms were compared with AIDE by using Moving Peaks Benchmarks.Preliminary experiments show that AIDE can maintain high population diversity during the search process,simultaneously can speed up the optimization.Thus,AIDE is useful for the optimization of dynamic environments.
