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
Vapor pressure of lead and lead chlorides from FeOT?CaO?SiO2?Al2O3 slag system was measured by using Knudsen effusion method. The results suggest that the vapor pressures of lead and lead chlorides increase with in...Vapor pressure of lead and lead chlorides from FeOT?CaO?SiO2?Al2O3 slag system was measured by using Knudsen effusion method. The results suggest that the vapor pressures of lead and lead chlorides increase with increasing temperature. For the slag systems without chlorine, the logarithm of vapor pressure (lnp) shows highly linear dependency on the reciprocal of temperature (1/T), and higher vapor pressure is observed in the condition where more metallic lead vapor is formed. In this case, the vapor pressure of lead increases with increasing slag basicity (w(CaO)/w(SiO2)), increasing FeO content andw(Fe2+)/w(Fe3+) ratio. For the case of slag system with chlorine addition, the total pressures of PbCl2 and PbCl increase with decreasing basicity and FeO content of slag.展开更多
Catalytic activities of a series of metalloporphyrin complexes in selective aerobic oxidation of toluene were investigated.The effects of different central metal ions in metalloporphyrins[T(p-Cl)PPMCl(M=Fe,Co,Mn,Cu)] ...Catalytic activities of a series of metalloporphyrin complexes in selective aerobic oxidation of toluene were investigated.The effects of different central metal ions in metalloporphyrins[T(p-Cl)PPMCl(M=Fe,Co,Mn,Cu)] on the reaction course had been examined and it was found that T(p-Cl)PPCu presented the highest catalytic activ- ity in the reaction.The reaction conditions of toluene oxidation were optimized by using orthogonal experiment de- sign.Five relevant factors were investigated:temperature,air pressure,catalyst loading,air flow rate and reaction time.The effects of the five factors on both toluene conversion and total yield of benzaldehyde and benzyl alcohol were discussed.The research results showed that the reaction temperature was the most significant factor influenc- ing toluene oxidation.On the basis of the margin analysis,the optimum conditions for the toluene conversion and the total yield of benzaldehyde and benzyl alcohol respectively were achieved,under which the toluene conversion was up to 14.67%and the total yield of benzaldehyde and benzyl alcohol reached 5.89%.展开更多
A new gas clean-up process called 'integrated sintered metal screen moving granular bed' (ISMSMGB) for the integrated gasification combined cycle (IGCC) and pressured fluidized bed combustion (PFBC) was develo...A new gas clean-up process called 'integrated sintered metal screen moving granular bed' (ISMSMGB) for the integrated gasification combined cycle (IGCC) and pressured fluidized bed combustion (PFBC) was developed on the basis of a sintered metal candle filter and a cross-flow moving granular bed filter. This is a combination of the surface and deep bed filtering processes. A set of facilities was established and a series of cold model tests were carried out. The dust removal efficiency and the pressure drop of the filter were measured and analyzed. The results show that this process features the advantages of the moving bed for high capacity as well as high inlet dust load and the surface filter for high efficiency. Meanwhile, the granules moving downward cleans the cake on the screen surface, so that the system is operated at steady state.展开更多
Electrical discharge machining (EDM) process, at present is still an experience process, wherein selected parameters are often far from the optimum, and at the same time selecting optimization parameters is costly and...Electrical discharge machining (EDM) process, at present is still an experience process, wherein selected parameters are often far from the optimum, and at the same time selecting optimization parameters is costly and time consuming. In this paper, artificial neural network (ANN) and genetic algorithm (GA) are used together to establish the parameter optimization model. An ANN model which adapts Levenberg-Marquardt algorithm has been set up to represent the relationship between material removal rate (MRR) and input parameters, and GA is used to optimize parameters, so that optimization results are obtained. The model is shown to be effective, and MRR is improved using optimized machining parameters.展开更多
A complex lead-zinc-silver sulfide ore containing 2.98% Pb, 6.49% Zn and 116.32×10^-4 % Ag (mass fraction) from Yunnan Province, China, was subjected to this work. Research on mineral processing was conducted a...A complex lead-zinc-silver sulfide ore containing 2.98% Pb, 6.49% Zn and 116.32×10^-4 % Ag (mass fraction) from Yunnan Province, China, was subjected to this work. Research on mineral processing was conducted according to the properties of the lead-zinc-silver ore. Under low alkalinity condition, the lead minerals are successfully separated from the zinc minerals with new reagent YZN as zinc depressant, new reagent BPB as lead collector, CuSO4 as zinc activator and ethyl xanthate as zinc collector. The associated silver is mostly concentrated to the lead concentrate. With the process utilized in this work, a lead concentrate of 51.90% Pb with a recovery of 82.34% and a zinc concentrate of 56.96% Zn with a recovery of 81.98% are produced. The silver recovery in the lead concentrate is 80.61%. Interactions of flotation reagents with minerals were investigated, of which the results indicate that the presence of proper amount of Na2S can precipitate Pb^2+ and has a sulfidation on oxidized lead minerals. The results also show that NazCO3 and YZN used together as combined depressants for sphalerite can signally improve the depressing effect of new reagent YZN on sphalerite.展开更多
The effect of different metal contamination levels of catalysts for Deep Catalytic Cracking(DCC) on the distribution and selectivity of DCC products was investigated in a FCC pilot unit. The pilot test results showed ...The effect of different metal contamination levels of catalysts for Deep Catalytic Cracking(DCC) on the distribution and selectivity of DCC products was investigated in a FCC pilot unit. The pilot test results showed that the effects of the metal contamination level of catalyst on the propylene yield,the coke yield,the LPG yield,the gasoline yield,the selectivity of low carbon olefins,and coke selectivity was significant,and that the influence of metal contamination level on the conversion and dry gas yield was minor.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Project supported by the Japan Oil,Gas and Metals National Corporation(JOGMEC)Project(51474021)supported by the National Natural Science Foundation of China
文摘Vapor pressure of lead and lead chlorides from FeOT?CaO?SiO2?Al2O3 slag system was measured by using Knudsen effusion method. The results suggest that the vapor pressures of lead and lead chlorides increase with increasing temperature. For the slag systems without chlorine, the logarithm of vapor pressure (lnp) shows highly linear dependency on the reciprocal of temperature (1/T), and higher vapor pressure is observed in the condition where more metallic lead vapor is formed. In this case, the vapor pressure of lead increases with increasing slag basicity (w(CaO)/w(SiO2)), increasing FeO content andw(Fe2+)/w(Fe3+) ratio. For the case of slag system with chlorine addition, the total pressures of PbCl2 and PbCl increase with decreasing basicity and FeO content of slag.
基金Supported by the National'Natural Science Foundation of China (No.20376018) and the National High Technology Development Program of China (No.2006AA32Z467).
文摘Catalytic activities of a series of metalloporphyrin complexes in selective aerobic oxidation of toluene were investigated.The effects of different central metal ions in metalloporphyrins[T(p-Cl)PPMCl(M=Fe,Co,Mn,Cu)] on the reaction course had been examined and it was found that T(p-Cl)PPCu presented the highest catalytic activ- ity in the reaction.The reaction conditions of toluene oxidation were optimized by using orthogonal experiment de- sign.Five relevant factors were investigated:temperature,air pressure,catalyst loading,air flow rate and reaction time.The effects of the five factors on both toluene conversion and total yield of benzaldehyde and benzyl alcohol were discussed.The research results showed that the reaction temperature was the most significant factor influenc- ing toluene oxidation.On the basis of the margin analysis,the optimum conditions for the toluene conversion and the total yield of benzaldehyde and benzyl alcohol respectively were achieved,under which the toluene conversion was up to 14.67%and the total yield of benzaldehyde and benzyl alcohol reached 5.89%.
基金Chinese Special Funds for Major State Basic Research Projects 973 (No. G1999022104).
文摘A new gas clean-up process called 'integrated sintered metal screen moving granular bed' (ISMSMGB) for the integrated gasification combined cycle (IGCC) and pressured fluidized bed combustion (PFBC) was developed on the basis of a sintered metal candle filter and a cross-flow moving granular bed filter. This is a combination of the surface and deep bed filtering processes. A set of facilities was established and a series of cold model tests were carried out. The dust removal efficiency and the pressure drop of the filter were measured and analyzed. The results show that this process features the advantages of the moving bed for high capacity as well as high inlet dust load and the surface filter for high efficiency. Meanwhile, the granules moving downward cleans the cake on the screen surface, so that the system is operated at steady state.
基金Project supported by the National Natural Science Foundation of China (Nos. 50575128 and 50775128)the Outstanding Young Scientist Foundation of Shandong Province (No. 2005BS05004), China
文摘Electrical discharge machining (EDM) process, at present is still an experience process, wherein selected parameters are often far from the optimum, and at the same time selecting optimization parameters is costly and time consuming. In this paper, artificial neural network (ANN) and genetic algorithm (GA) are used together to establish the parameter optimization model. An ANN model which adapts Levenberg-Marquardt algorithm has been set up to represent the relationship between material removal rate (MRR) and input parameters, and GA is used to optimize parameters, so that optimization results are obtained. The model is shown to be effective, and MRR is improved using optimized machining parameters.
基金Project(50874117) supported by the National Natural Science Foundation of China
文摘A complex lead-zinc-silver sulfide ore containing 2.98% Pb, 6.49% Zn and 116.32×10^-4 % Ag (mass fraction) from Yunnan Province, China, was subjected to this work. Research on mineral processing was conducted according to the properties of the lead-zinc-silver ore. Under low alkalinity condition, the lead minerals are successfully separated from the zinc minerals with new reagent YZN as zinc depressant, new reagent BPB as lead collector, CuSO4 as zinc activator and ethyl xanthate as zinc collector. The associated silver is mostly concentrated to the lead concentrate. With the process utilized in this work, a lead concentrate of 51.90% Pb with a recovery of 82.34% and a zinc concentrate of 56.96% Zn with a recovery of 81.98% are produced. The silver recovery in the lead concentrate is 80.61%. Interactions of flotation reagents with minerals were investigated, of which the results indicate that the presence of proper amount of Na2S can precipitate Pb^2+ and has a sulfidation on oxidized lead minerals. The results also show that NazCO3 and YZN used together as combined depressants for sphalerite can signally improve the depressing effect of new reagent YZN on sphalerite.
文摘The effect of different metal contamination levels of catalysts for Deep Catalytic Cracking(DCC) on the distribution and selectivity of DCC products was investigated in a FCC pilot unit. The pilot test results showed that the effects of the metal contamination level of catalyst on the propylene yield,the coke yield,the LPG yield,the gasoline yield,the selectivity of low carbon olefins,and coke selectivity was significant,and that the influence of metal contamination level on the conversion and dry gas yield was minor.