Zeolitic imidazolate frameworks(ZIFs) are widely employed in catalyst synthesis as parental materials for electrochemical energy storage and conversion. Herein, we have demonstrated a facile synthesis of highly effi...Zeolitic imidazolate frameworks(ZIFs) are widely employed in catalyst synthesis as parental materials for electrochemical energy storage and conversion. Herein, we have demonstrated a facile synthesis of highly efficient catalyst for oxygen reduction reaction in both alkaline and acidic medium, which is derived from ZIF-8 functionalized with ammonium ferric citrate via two-step pyrolysis in Ar and NHatmosphere.The results reveal that the catalytic activity improvement after NH3 pyrolysis benefits from mesoporedominated morphology and high utilization of Fe-containing active sites. The optimum catalyst shows excellent performance in zinc-air battery and polymer electrolyte membrane fuel cell tests.展开更多
This study analyzed the pyrolysis mechanism,developed a pyrolysis kinetic model,and determined the corresponding thermodynamic parameters for the removal of calcium from used lubricating oil using sulfurized calcium a...This study analyzed the pyrolysis mechanism,developed a pyrolysis kinetic model,and determined the corresponding thermodynamic parameters for the removal of calcium from used lubricating oil using sulfurized calcium alkyl phenolate(T-115B)as a model compound.The pyrolysis process and products were evaluated by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy.Visual inspection indicated that the removal of calcium from T-115B depended primarily on the destruction of micelles caused by the pyrolysis of compounds at high temperatures.The pyrolysis characteristics of T-115B at different heating rates were investigated by thermogravimetry and differential thermal analysis,which revealed two distinct pyrolysis phases.Thus,the pyrolysis mechanism can be described by a twostep model.The activation energy and thermodynamic parameters(ΔH,ΔG,andΔS)were determined by applying the Kissinger-Akahira-Sunose,Flynn-Wall-Ozawa,Friedman,and Starink methods;the average activation energies for T-115B pyrolysis obtained using these methods were 115.80,119.84,124.96,and 116.14 kJ/mol,respectively.Further,both stages of the pyrolysis reaction followed Fn mechanisms with n=1.39 in the first stage and n=0.86 in the second stage.This study provides reliable and effective pyrolysis models along with kinetic and thermodynamic parameters to facilitate the largescale industrial application of used lubricating oil.展开更多
Affordable non-precious metal(NPM) catalysts played a vital role in the wide application of polymer electrolyte membrane fuel cells(PEMFC). In current work, a facile vacuum casting reacting method based on vacuum ...Affordable non-precious metal(NPM) catalysts played a vital role in the wide application of polymer electrolyte membrane fuel cells(PEMFC). In current work, a facile vacuum casting reacting method based on vacuum casting was introduced to prepare Fe-N_x-C oxygen reduction reaction(ORR) catalysts with high efficient in acid medium. The catalysts were prepared with ammonium ferrous sulfate hexahydrate(AFS) and 1,10-phenanthroline monohydrate utilizing homemade mesoporous silica template. The heat treatment and its influence on structure and performance were systematically evaluated to achieve superior ORR performance and some clues were found. And 850 ℃ was found to be the best temperature for the first and second pyrolysis. The linear sweep voltammetry(LSV) results showed that there were only 18 mV slightly negative shifts of half-wave potential(E_(1/2)) of the optimal catalyst(749 mV) compared with the commercial Pt/C(20 μg·Pt·cm^-2). Besides, I850 R also showed better electrochemical stability and methanol-tolerance than that of Pt/C. All evidences proved that our vacuum casting reacting strategy and heat treatment process were prospective for the future R&D of high performance Fe-N_x-C ORR catalysts.展开更多
Multiplicative noise removal problems have attracted much attention in recent years.Unlike additive noise,multiplicative noise destroys almost all information of the original image,especially for texture images.Motiva...Multiplicative noise removal problems have attracted much attention in recent years.Unlike additive noise,multiplicative noise destroys almost all information of the original image,especially for texture images.Motivated by the TV-Stokes model,we propose a new two-step variational model to denoise the texture images corrupted by multiplicative noise with a good geometry explanation in this paper.In the first step,we convert the multiplicative denoising problem into an additive one by the logarithm transform and propagate the isophote directions in the tangential field smoothing.Once the isophote directions are constructed,an image is restored to fit the constructed directions in the second step.The existence and uniqueness of the solution to the variational problems are proved.In these two steps,we use the gradient descent method and construct finite difference schemes to solve the problems.Especially,the augmented Lagrangian method and the fast Fourier transform are adopted to accelerate the calculation.Experimental results show that the proposed model can remove the multiplicative noise efficiently and protect the texture well.展开更多
A novel synthesis method of carbon-coated LiNil/3Mnl/3COl/302 cathode material for lithium-ion battery was reported. The carbon coating was produced from a precursor, glucose, by microwave-pyrolysis method. The prepar...A novel synthesis method of carbon-coated LiNil/3Mnl/3COl/302 cathode material for lithium-ion battery was reported. The carbon coating was produced from a precursor, glucose, by microwave-pyrolysis method. The prepared powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray fluorescence (XRF) and charge/discharge tests. XRD results indicate that the carbon coating does not change the phase structure of LiNil/3Mnl/3C01/302 material. SEM results show that the surface of spherical carbon-coated material becomes rough. Electrochemical performance results show that the carbon coating can improve the cycling performance of LiNii/3Mnl/3C01/302. The specific discharge capacity retention of the carbon-coated LiNi1/3Mnt/3Col/30z reached 85.0%-96.0% at the 50th cycle at 0.2C rate, and the specific discharge capacity retention is improved at a high rate.展开更多
Polyester Glass Fiber Reinforced Plastic(Polyester GFRP),a thermosetting plastic comprised of glass fiber and polyester polymer compounds,is extensively utilized in high-speed trains.Unraveling its pyrolysis mechanism...Polyester Glass Fiber Reinforced Plastic(Polyester GFRP),a thermosetting plastic comprised of glass fiber and polyester polymer compounds,is extensively utilized in high-speed trains.Unraveling its pyrolysis mechanism is crucial as it significantly influences the combustion characteristics and fire safety aspects.Currently,kinetic research on polyester GFRP primarily focuses on employing the Coats-Redfern method to derive a theoretical kinetic model.However,the pyrolysis process of polyester GFRP is complex and the aforementioned theoretical model fails to accurately describe the pyrolysis mechanism.Therefore,this study seeks to utilize the Sestak and Berggren(SB) model as a methodological approach to reveal the complex reaction mechanism during the pyrolysis process.Based on thermogravimetric analysis,the entire pyrolysis process of polyester GFRP is divided into two primary stages.Furthermore,model-free methods are employed to ascertain the activation energy and pre-exponential factor.The results show that the fitted empirical models of the two main pyrolysis stages are f(α)=(1-α)^(1.47)[-ln(1-α)]^(1.50) and f(α)=(1-α)^(1.77)[-ln(1-α)]^(1.72),respectively.The predicted results are in good agreement with experimental data under different heating rates,which indicates that the empirical model can sufficiently describe the pyrolysis process of polyester GFRP.展开更多
Temperature-dependent photoluminescence characteristics of organic-inorganic halide perovskite CH3NH3Pb I3-xClx films prepared using a two-step method on ZnO/FTO substrates were investigated. Surface morphology and ab...Temperature-dependent photoluminescence characteristics of organic-inorganic halide perovskite CH3NH3Pb I3-xClx films prepared using a two-step method on ZnO/FTO substrates were investigated. Surface morphology and absorption characteristics of the films were also studied. Scanning electron microscopy revealed large crystals and substrate coverage. The orthorhombic-to-tetragonal phase transition temperature was-140 K. The films' exciton binding energy was 77.6 ± 10.9 meV and the energy of optical phonons was 38.8 ± 2.5 meV. These results suggest that perovskite CH3NH3Pb I(3-x)Clx films have excellent optoelectronic characteristics which further suggests their potential usage in perovskitebased optoelectronic devices.展开更多
The distribution of remaining oil is often described qualitatively. The remaining oil distributed in the whole reservoir is calculated according to the characteristics of the space distribution of the saturation of re...The distribution of remaining oil is often described qualitatively. The remaining oil distributed in the whole reservoir is calculated according to the characteristics of the space distribution of the saturation of remaining oil. Logging data are required to accomplish this. However, many such projects cannot be completed. Since the old study of remaining oil distribution could not be quantified efficiently, the "dynamic two-step method" is presented. Firstly, the water cut of every flow unit in one well at one time is calculated according to the comprehensive water cut of a single well at one time. Secondly, the remaining oil saturation of the flow unit of the well at one time is calculated based on the water cut of the flow unit at a given time. The results show that "dynamic two-step method" has characteristics of simplicity and convenience, and is especially suitable for the study of remaining oil distribution at high water-cut stage. The distribution of remaining oil presented banding and potato form, remaining oil was relatively concentrated in faultage neighborhood and imperfect well netting position, and the net thickness of the place was great. This proposal can provide an effective way to forecast remaining oil distribution and enhance oil recovery, especially applied at the high water-cut stage.展开更多
The Democratic Republic of the Congo holds important reserves of oil shale which is still under geological status.Herein,the characterization and pyrolysis kinetics of typeⅠkerogen-rich oil shale of the western Centr...The Democratic Republic of the Congo holds important reserves of oil shale which is still under geological status.Herein,the characterization and pyrolysis kinetics of typeⅠkerogen-rich oil shale of the western Central Kongo(CK)were investigated.X-ray diffraction,Fourier-transform infrared spectroscopy and thermal analysis(TG/DTA)showed that CK oil shale exhibits a siliceous mineral matrix with a consistent organic matter rich in aliphatic chains.The pyrolysis behavior of kerogen revealed the presence of a single mass loss between 300 and 550°C,estimated at 12.5%and attributed to the oil production stage.Non-isothermal kinetics was performed by determining the activation energy using the iterative isoconversional model-free methods and exhibits a constant value with E=211.5±4.7 kJ mol.1.The most probable kinetic model describing the kerogen pyrolysis mechanism was obtained using the Coats–Redfern and Arrhenius plot methods.The results showed a unique kinetic triplet confirming the nature of kerogen,predominantly typeⅠand reinforcing the previously reported geochemical characteristics of the CK oil shale.Besides,the calculation of thermodynamic parameters(ΔH~*,ΔS~*andΔG~*)corresponding to the pyrolysis of typeⅠkerogen revealed that the process is non-spontaneous,in agreement with DTA experiments.展开更多
Under the assumption that the nonlinear operator has Lipschitz continuous divided differences for the first order,we obtain an estimate of the radius of the convergence ball for the two-step secant method.Moreover,we ...Under the assumption that the nonlinear operator has Lipschitz continuous divided differences for the first order,we obtain an estimate of the radius of the convergence ball for the two-step secant method.Moreover,we also provide an error estimate that matches the convergence order of the two-step secant method.At last,we give an application of the proposed theorem.展开更多
The Adomian decomposition method (ADM) can be used to solve a wide range of problems and usually gets the solution in a series form. In this paper, we propose two-step Adomian Decomposition Method (TSAM) for nonlinear...The Adomian decomposition method (ADM) can be used to solve a wide range of problems and usually gets the solution in a series form. In this paper, we propose two-step Adomian Decomposition Method (TSAM) for nonlinear integro-differential equations that will facilitate the calculations. In this modification, compared to the standard Adomian decomposition method, the size of calculations was reduced. This modification also avoids computing Adomian polynomials. Numerical results are given to show the efficiency and performance of this method.展开更多
Three different preparation methods including steam physical activation, catalytic carbonation and KOH chemical activation methods were used to prepare municipal solid waste- based carbon materials. The methylene blue...Three different preparation methods including steam physical activation, catalytic carbonation and KOH chemical activation methods were used to prepare municipal solid waste- based carbon materials. The methylene blue (MB) adsorption value was applied to evaluate the adsorption capabilities of the prepared carbon materials. The effects of preparation methods on adsorption capability and yield of products were investigated. The yield of carbon materials with the catalytic carbonation method is the highest, and the KOH activation method is the second level. Considering the adsorption performance, the KOH activation method is much more favorable. Among the different components of municipal solid waste-based carbon materials, the adsorption properties of the single component of paperboard, the double components of tire and paperboard, the triple components of tire, paperboard and polyvinyl chloride (PVC), and the multi-component mixtures are better than those of other single-, double-, triple- and multi-component mixtures, respectively.展开更多
The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationsh...The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationship between the diffusion coefficient along the direction of z-axis which is normal to the Mg/Zn interface and temperature was investigated, and the AF's impact on the diffusion constant (D0) and activation energy (Q^*) was studied. Then, two steps were taken to simulate the atomic diffusion process and the formation of new phases: one for acceleration and the other for equilibration. The results show that: the Arrhenius equation works well for the description of Dz with different accelerating factors; the AF has no effect on the diffusion constant Do in the case of no phase transition; and the relationship between Q* and Q conforms to Q^*=Q/A. Then, the new Arrhenius equation for AFHD is successfully constructed as Dz=Doexp[-Q/(ART)]. Meanwhile, the authentic equilibrium conformations at any dynamic moment can only be reproduced by the equilibration simulation of the HD-simulated configurations. Key words: accelerating factor method; Arrhenius equation; two-steps scheme; Mg/Zn interface; hyperdynamic simulation展开更多
基金supported by the National Natural Science Foundation of China(Grants 21573222,21622607,91545202 and U1532117)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB17020200)+1 种基金CAS Youth Innovation PromotionK.C.Wong Education Foundation in Ningbo University
文摘Zeolitic imidazolate frameworks(ZIFs) are widely employed in catalyst synthesis as parental materials for electrochemical energy storage and conversion. Herein, we have demonstrated a facile synthesis of highly efficient catalyst for oxygen reduction reaction in both alkaline and acidic medium, which is derived from ZIF-8 functionalized with ammonium ferric citrate via two-step pyrolysis in Ar and NHatmosphere.The results reveal that the catalytic activity improvement after NH3 pyrolysis benefits from mesoporedominated morphology and high utilization of Fe-containing active sites. The optimum catalyst shows excellent performance in zinc-air battery and polymer electrolyte membrane fuel cell tests.
基金We are grateful for the support of the Science and Technology Innovation 2025 Major project of Ningbo[2018B10038]the Chair Professorship Program of Shandong University of Technology[117002]the Natural Science Foundation of Shandong Province[ZR2020MB130].
文摘This study analyzed the pyrolysis mechanism,developed a pyrolysis kinetic model,and determined the corresponding thermodynamic parameters for the removal of calcium from used lubricating oil using sulfurized calcium alkyl phenolate(T-115B)as a model compound.The pyrolysis process and products were evaluated by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy.Visual inspection indicated that the removal of calcium from T-115B depended primarily on the destruction of micelles caused by the pyrolysis of compounds at high temperatures.The pyrolysis characteristics of T-115B at different heating rates were investigated by thermogravimetry and differential thermal analysis,which revealed two distinct pyrolysis phases.Thus,the pyrolysis mechanism can be described by a twostep model.The activation energy and thermodynamic parameters(ΔH,ΔG,andΔS)were determined by applying the Kissinger-Akahira-Sunose,Flynn-Wall-Ozawa,Friedman,and Starink methods;the average activation energies for T-115B pyrolysis obtained using these methods were 115.80,119.84,124.96,and 116.14 kJ/mol,respectively.Further,both stages of the pyrolysis reaction followed Fn mechanisms with n=1.39 in the first stage and n=0.86 in the second stage.This study provides reliable and effective pyrolysis models along with kinetic and thermodynamic parameters to facilitate the largescale industrial application of used lubricating oil.
基金the financial support of the 100-Talent Program of Chinese Academy of Sciences
文摘Affordable non-precious metal(NPM) catalysts played a vital role in the wide application of polymer electrolyte membrane fuel cells(PEMFC). In current work, a facile vacuum casting reacting method based on vacuum casting was introduced to prepare Fe-N_x-C oxygen reduction reaction(ORR) catalysts with high efficient in acid medium. The catalysts were prepared with ammonium ferrous sulfate hexahydrate(AFS) and 1,10-phenanthroline monohydrate utilizing homemade mesoporous silica template. The heat treatment and its influence on structure and performance were systematically evaluated to achieve superior ORR performance and some clues were found. And 850 ℃ was found to be the best temperature for the first and second pyrolysis. The linear sweep voltammetry(LSV) results showed that there were only 18 mV slightly negative shifts of half-wave potential(E_(1/2)) of the optimal catalyst(749 mV) compared with the commercial Pt/C(20 μg·Pt·cm^-2). Besides, I850 R also showed better electrochemical stability and methanol-tolerance than that of Pt/C. All evidences proved that our vacuum casting reacting strategy and heat treatment process were prospective for the future R&D of high performance Fe-N_x-C ORR catalysts.
文摘Multiplicative noise removal problems have attracted much attention in recent years.Unlike additive noise,multiplicative noise destroys almost all information of the original image,especially for texture images.Motivated by the TV-Stokes model,we propose a new two-step variational model to denoise the texture images corrupted by multiplicative noise with a good geometry explanation in this paper.In the first step,we convert the multiplicative denoising problem into an additive one by the logarithm transform and propagate the isophote directions in the tangential field smoothing.Once the isophote directions are constructed,an image is restored to fit the constructed directions in the second step.The existence and uniqueness of the solution to the variational problems are proved.In these two steps,we use the gradient descent method and construct finite difference schemes to solve the problems.Especially,the augmented Lagrangian method and the fast Fourier transform are adopted to accelerate the calculation.Experimental results show that the proposed model can remove the multiplicative noise efficiently and protect the texture well.
基金Project(U1202272)supported by the National Natural Science Foundation of China
文摘A novel synthesis method of carbon-coated LiNil/3Mnl/3COl/302 cathode material for lithium-ion battery was reported. The carbon coating was produced from a precursor, glucose, by microwave-pyrolysis method. The prepared powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray fluorescence (XRF) and charge/discharge tests. XRD results indicate that the carbon coating does not change the phase structure of LiNil/3Mnl/3C01/302 material. SEM results show that the surface of spherical carbon-coated material becomes rough. Electrochemical performance results show that the carbon coating can improve the cycling performance of LiNii/3Mnl/3C01/302. The specific discharge capacity retention of the carbon-coated LiNi1/3Mnt/3Col/30z reached 85.0%-96.0% at the 50th cycle at 0.2C rate, and the specific discharge capacity retention is improved at a high rate.
基金funded by the National Natural Science Foundation of China (No.52038009)。
文摘Polyester Glass Fiber Reinforced Plastic(Polyester GFRP),a thermosetting plastic comprised of glass fiber and polyester polymer compounds,is extensively utilized in high-speed trains.Unraveling its pyrolysis mechanism is crucial as it significantly influences the combustion characteristics and fire safety aspects.Currently,kinetic research on polyester GFRP primarily focuses on employing the Coats-Redfern method to derive a theoretical kinetic model.However,the pyrolysis process of polyester GFRP is complex and the aforementioned theoretical model fails to accurately describe the pyrolysis mechanism.Therefore,this study seeks to utilize the Sestak and Berggren(SB) model as a methodological approach to reveal the complex reaction mechanism during the pyrolysis process.Based on thermogravimetric analysis,the entire pyrolysis process of polyester GFRP is divided into two primary stages.Furthermore,model-free methods are employed to ascertain the activation energy and pre-exponential factor.The results show that the fitted empirical models of the two main pyrolysis stages are f(α)=(1-α)^(1.47)[-ln(1-α)]^(1.50) and f(α)=(1-α)^(1.77)[-ln(1-α)]^(1.72),respectively.The predicted results are in good agreement with experimental data under different heating rates,which indicates that the empirical model can sufficiently describe the pyrolysis process of polyester GFRP.
基金supported by the International Science and Technology Cooperation Program of Science and Technology Bureau of Changchun City,China(Grant No.12ZX68)
文摘Temperature-dependent photoluminescence characteristics of organic-inorganic halide perovskite CH3NH3Pb I3-xClx films prepared using a two-step method on ZnO/FTO substrates were investigated. Surface morphology and absorption characteristics of the films were also studied. Scanning electron microscopy revealed large crystals and substrate coverage. The orthorhombic-to-tetragonal phase transition temperature was-140 K. The films' exciton binding energy was 77.6 ± 10.9 meV and the energy of optical phonons was 38.8 ± 2.5 meV. These results suggest that perovskite CH3NH3Pb I(3-x)Clx films have excellent optoelectronic characteristics which further suggests their potential usage in perovskitebased optoelectronic devices.
文摘The distribution of remaining oil is often described qualitatively. The remaining oil distributed in the whole reservoir is calculated according to the characteristics of the space distribution of the saturation of remaining oil. Logging data are required to accomplish this. However, many such projects cannot be completed. Since the old study of remaining oil distribution could not be quantified efficiently, the "dynamic two-step method" is presented. Firstly, the water cut of every flow unit in one well at one time is calculated according to the comprehensive water cut of a single well at one time. Secondly, the remaining oil saturation of the flow unit of the well at one time is calculated based on the water cut of the flow unit at a given time. The results show that "dynamic two-step method" has characteristics of simplicity and convenience, and is especially suitable for the study of remaining oil distribution at high water-cut stage. The distribution of remaining oil presented banding and potato form, remaining oil was relatively concentrated in faultage neighborhood and imperfect well netting position, and the net thickness of the place was great. This proposal can provide an effective way to forecast remaining oil distribution and enhance oil recovery, especially applied at the high water-cut stage.
基金financially supported by University of Mohammed V-Morocco under the Project No.SCH 04/09 and HassanⅡAcademy of Science and Technology,Morocco.
文摘The Democratic Republic of the Congo holds important reserves of oil shale which is still under geological status.Herein,the characterization and pyrolysis kinetics of typeⅠkerogen-rich oil shale of the western Central Kongo(CK)were investigated.X-ray diffraction,Fourier-transform infrared spectroscopy and thermal analysis(TG/DTA)showed that CK oil shale exhibits a siliceous mineral matrix with a consistent organic matter rich in aliphatic chains.The pyrolysis behavior of kerogen revealed the presence of a single mass loss between 300 and 550°C,estimated at 12.5%and attributed to the oil production stage.Non-isothermal kinetics was performed by determining the activation energy using the iterative isoconversional model-free methods and exhibits a constant value with E=211.5±4.7 kJ mol.1.The most probable kinetic model describing the kerogen pyrolysis mechanism was obtained using the Coats–Redfern and Arrhenius plot methods.The results showed a unique kinetic triplet confirming the nature of kerogen,predominantly typeⅠand reinforcing the previously reported geochemical characteristics of the CK oil shale.Besides,the calculation of thermodynamic parameters(ΔH~*,ΔS~*andΔG~*)corresponding to the pyrolysis of typeⅠkerogen revealed that the process is non-spontaneous,in agreement with DTA experiments.
基金supported by National Natural Science Foundation of China(11771393,11371320,11632015)Zhejiang Natural Science Foundation(LZ14A010002,LQ18A010008)Scientific Research Fund of Zhejiang Provincial Education Department(FX2016073)
文摘Under the assumption that the nonlinear operator has Lipschitz continuous divided differences for the first order,we obtain an estimate of the radius of the convergence ball for the two-step secant method.Moreover,we also provide an error estimate that matches the convergence order of the two-step secant method.At last,we give an application of the proposed theorem.
文摘The Adomian decomposition method (ADM) can be used to solve a wide range of problems and usually gets the solution in a series form. In this paper, we propose two-step Adomian Decomposition Method (TSAM) for nonlinear integro-differential equations that will facilitate the calculations. In this modification, compared to the standard Adomian decomposition method, the size of calculations was reduced. This modification also avoids computing Adomian polynomials. Numerical results are given to show the efficiency and performance of this method.
基金The National Natural Science Foundation of China(No.51576048)the Environmental Protection Subject Foundation of Jiangsu Province(No.2015013)+3 种基金the Industry,Education and Research Prospective Project of Jiangsu Province(No.BY2015060-04)the Fok Ying Tong Education Foundation(No.142026)the Fundamental Research Funds for the Central UniversitiesProgram for New Century Excellent Talents in University(No.NCET-12-0118)
文摘Three different preparation methods including steam physical activation, catalytic carbonation and KOH chemical activation methods were used to prepare municipal solid waste- based carbon materials. The methylene blue (MB) adsorption value was applied to evaluate the adsorption capabilities of the prepared carbon materials. The effects of preparation methods on adsorption capability and yield of products were investigated. The yield of carbon materials with the catalytic carbonation method is the highest, and the KOH activation method is the second level. Considering the adsorption performance, the KOH activation method is much more favorable. Among the different components of municipal solid waste-based carbon materials, the adsorption properties of the single component of paperboard, the double components of tire and paperboard, the triple components of tire, paperboard and polyvinyl chloride (PVC), and the multi-component mixtures are better than those of other single-, double-, triple- and multi-component mixtures, respectively.
基金Project (2012CB722805) supported by the National Basic Research Program of ChinaProjects (50974083, 51174131) supported by the National Natural Science Foundation of China+1 种基金Project (50774112) supported by the Joint Fund of NSFC and Baosteel, ChinaProject(07QA4021) supported by the Shanghai "Phosphor" Science Foundation, China
文摘The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationship between the diffusion coefficient along the direction of z-axis which is normal to the Mg/Zn interface and temperature was investigated, and the AF's impact on the diffusion constant (D0) and activation energy (Q^*) was studied. Then, two steps were taken to simulate the atomic diffusion process and the formation of new phases: one for acceleration and the other for equilibration. The results show that: the Arrhenius equation works well for the description of Dz with different accelerating factors; the AF has no effect on the diffusion constant Do in the case of no phase transition; and the relationship between Q* and Q conforms to Q^*=Q/A. Then, the new Arrhenius equation for AFHD is successfully constructed as Dz=Doexp[-Q/(ART)]. Meanwhile, the authentic equilibrium conformations at any dynamic moment can only be reproduced by the equilibration simulation of the HD-simulated configurations. Key words: accelerating factor method; Arrhenius equation; two-steps scheme; Mg/Zn interface; hyperdynamic simulation