An approach of limit state equation for surrounding rock was put forward based on deformation criterion. A method of symmetrical sampling of basic random variables adopted by classical response surface method was mend...An approach of limit state equation for surrounding rock was put forward based on deformation criterion. A method of symmetrical sampling of basic random variables adopted by classical response surface method was mended, and peak value and deflection degree of basic random variables distribution curve were took into account in the mended sampling method. A calculation way of probability moment, based on mended Rosenbluth method, suitable for non-explicit performance function was put forward. The first, second, third and fourth order moments of functional function value were calculated by mended Rosenbluth method through the first, second, third and fourth order moments of basic random variable. A probability density the function（PDF） of functional function was deduced through its first, second, third and fourth moments, the PDF in the new method took the place of the method of quadratic polynomial to approximate real functional function and reliability probability was calculated through integral by the PDF for random variable of functional function value in the new method. The result shows that the improved response surface method can adapt to various statistic distribution types of basic random variables, its calculation process is legible and need not itemtive circulation. In addition, a stability probability of surrounding rock for a tunnel was calculated by the improved method, whose workload is only 30% of classical method and its accuracy is comparative.展开更多
A newly isolated strain EL31410, producing elastase (E.C3.4.4.7) with h igh elastolytic activity was identified as Bacillus sp. In the medium opt imizat ion, it was found that wheat bran and soybean flour hydrosate we...A newly isolated strain EL31410, producing elastase (E.C3.4.4.7) with h igh elastolytic activity was identified as Bacillus sp. In the medium opt imizat ion, it was found that wheat bran and soybean flour hydrosate were the best crud e carbon and nitrogen source for enzyme production, respectively. Addition of co rn steep flour can affect the bacterium growth and elastase production. A fracti onal factorial design was applied to study the main factors that affect the enzy me production, and central composite experimental design and response surface me thodology were adopted to derive a statistical model for the effect of wheat bra n and soybean flour hydrosate on elastase production. The experimental results s howed that wheat bran had positive effect but soybean flour hydrosate had neg ative effect, on enzyme production. An initial concentration of 3.4%(w/v) wh eat b ran and 9.4%(v/v) soybean flour hydrosate were found to be optimal for enzyme pr oduction in batch culture. The time course of elastase production in the optimiz ed medium composition was also described.展开更多
Coal is the world＇s most abundant energy source because of its abundance and relatively low cost. Due to the scarcity in the supply of high-grade coal, it is necessary to use low-.grade coal for fulfilling energy dem...Coal is the world＇s most abundant energy source because of its abundance and relatively low cost. Due to the scarcity in the supply of high-grade coal, it is necessary to use low-.grade coal for fulfilling energy demands of modern civilization. However, due to ItS high ash and moisture content, low-grade coal exerts the substantial impact on their consumption like pyrolysis, liquefaction, gasification and combus- tion process. The present research aimed to develop the efficient technique for the production of clean coal by optimizing the operating parameters with the help of response surface methodology. The effect of three independent variables such as hydrofluoric acid （HF） concentration （10-20% by vo!ume ）,. temper- ature （60-100 ~C）, and time （90-180 min）, for ash reduction from the low-grade coal was Investigated.. A quadratic model was proposed to correlate the independent variables for maximum ash reduction at the optimum process condition by using central composite design （CC.D）method. The study reveals that HF concentration was the most effective parameter for ash reduction in comparison with time and temper- ature. It may be due to the higher F-statistics value for HF concentration, which effects to large extent of ash reduction. The characterization of coal was evaluated by Fourier transform infrared spectroscopy （FTIR） analysis and Field-emission scanning electron microscopy with energy-dispersive X-ray （FESEM- EDX） analysis for confirmation of the ash reduction.展开更多
The methods of modifying dimension and shape of structure, or covering damping material are effective to reduce structure-borne noise, while these methods are based on the knowledge of qualitative and quantitative rel...The methods of modifying dimension and shape of structure, or covering damping material are effective to reduce structure-borne noise, while these methods are based on the knowledge of qualitative and quantitative relationship between sound radiation and design parameters. In order to decrease the complexity of the problem, response surface method(RSM) was utilized to analyze and optimize the vibro-acoustic properties of the damping structure. A simple case was illustrated to demonstrate the capabilities of the developed procedure. A structure-born noise problem was approximated by a series of polynomials using RSM. Three main performances were considered, i.e. sound radiation power, first order modal frequency and total mass. Consequently, the response surface model not only gives the direction of design modification, it also leads to an optimal design of complex systems.展开更多
Mesoporous LaMnO3 perovskite catalysts with high surface area were synthesized by using the recently developed hard templating method designated as ＂nanocasting＂.Ordered mesoporous silica designated as SBA-15 was us...Mesoporous LaMnO3 perovskite catalysts with high surface area were synthesized by using the recently developed hard templating method designated as ＂nanocasting＂.Ordered mesoporous silica designated as SBA-15 was used as the hard template.It was found that the surface area of the nanocast perovskites can be tuned（80–190 m2/g）by varying the aging temperature of the SBA-15 template.Nanocast LaMnO3 catalysts showed high conversion efficiencies for the total oxidation of methanol under steady state conditions,the one with the highest value of surface area being the best catalysts,as expected.Kinetic studies were performed for all of the synthesized catalysts.Rate constants were found to vary in accordance with the specific surface area of the nanocast catalyst which depends on the aging temperature of the parent template.From the rate constants obtained from experimental conversions at various space velocities（19500 to 78200 h〈sup〉–1）,values of activation energy and pre-exponential factor for the three nanocast LaMnO3 catalysts were determined by the linear regression of the Arrhenius plot.It is observed that the activation energy for all the catalysts remain constant irrespective of the variation in specific surface area.Further,a linear relationship was found to exist between the pre-exponential factor and specific surface areas of the catalysts indicating that the rates per unit surface area remains the same for all the catalysts.展开更多
A semi-empirical adsorption kinetic model was proposed with the time compensation method to describe the chemisorption of SO2 in flue gas by carbon adsorbents for flue gas purification.The change in adsorption capacit...A semi-empirical adsorption kinetic model was proposed with the time compensation method to describe the chemisorption of SO2 in flue gas by carbon adsorbents for flue gas purification.The change in adsorption capacity and adsorption rate with time at different water vapor concentrations and different SO2 concentrations was studied.The model was in good agreement with experimental data.The surface reaction was probably the rate controlling step in the early stage for SO2 adsorption by ZL50 activated carbon.The parameters m and n in the nth order adsorption kinetic model were related to the magnitude of the time compensation and adsorption driving force,respectively.The change of parameter n with water vapor concentrations and sulfur dioxide concentrations was studied and some physical implications were given.The sum of square errors was less than 1.0 and the average absolute percentage deviations ranged from 0.5 to 3.2.The kinetic model was compared with other models in the literature.展开更多
Recently, we proposed the extended phenomenological kinetics (XPK) method, which overcomes the notorious timescale separation difficulty between fast diffusion and slow chemical reactions in conventional kinetic Monte...Recently, we proposed the extended phenomenological kinetics (XPK) method, which overcomes the notorious timescale separation difficulty between fast diffusion and slow chemical reactions in conventional kinetic Monte Carlo (KMC) simulations. In the present work, we make a comprehensive comparison, based on the newly developed XPK package, between the XPK method and the conventional KMC method using a model hydrogenation reaction system. Two potential energy surfaces with different lateral interactions have been designed to illustrate the advantages of the XPK method in computational costs, parallel efficiency and the convergence behaviors to steady states. The XPK method is shown to be efficient and accurate, holding the great promise for theoretical modelling in heterogeneous catalysis, in particular, when the role of the lateral interactions among adsorbates is crucial.展开更多
Low valence vanadium oxide(VO2-x) thin films were prepared on SiO2/Si substrates at room temperature by direct current facing targets reactive magnetron sputtering, and then proc- essed through rapid thermal annealing...Low valence vanadium oxide(VO2-x) thin films were prepared on SiO2/Si substrates at room temperature by direct current facing targets reactive magnetron sputtering, and then proc- essed through rapid thermal annealing. The effects of the annealing on the structure and phase transition property of VO2 were discussed. X-ray photoelectron spectroscopy, X-ray diffraction tech- nique and Fourier transform infrared spectroscopy were employed to study the phase composition and structure of the thin films. The resistance-temperature property was measured. The results show that VO2 thin film is obtained after annealed at 320 ℃ for 3 h, its phase transition tempera- ture is 56 ℃, and the resistance changes by more than 2 orders. The vanadium oxide thin films are applicable in thermochromic smart windows, and the deposition and annealing process is compatible with micro electromechanical system process.展开更多
The effects of low-level PES on the overall accuracy of the final surface constructed by using hierarchical construction were investigated with the constructions of a number of global surfaces for the H3 system at UHF...The effects of low-level PES on the overall accuracy of the final surface constructed by using hierarchical construction were investigated with the constructions of a number of global surfaces for the H3 system at UHF （UMP2, DFT-B3LYP, UCCSD（T））/vtz, and UCCSD（T）/avqz levels of theory. The total reaction probabilities for the H＋H2 reaction calculated on these surfaces revealed that the accuracy of UCCSD（T）/avqz surface is very close to the well-known BKMP2 surface, while the UCCSD（T）/vtz PES has a slightly higher barrier. In contrast, the low-level theories （UHF, UMP2, DFT-B3LYP） with vtz basis set can only provide a qualitative description of this simplest reaction despite the fact that they are widely used to study reactions in complex systems. On the other hand, although these theories are not accurate on describing the reaction, they can be used to provide the low- level PESs for hierarchical construction of the UCCSD（T）/avqz PES with the number of UCCSD（T）/avqz energies substantially reduced.展开更多
Succinic acid is considered as an important platform chemical. Succinic acid fermentation with Actinobacillus succinogenes strain BE-1 was optimized by central composite design （CCD） using a response surface methodo...Succinic acid is considered as an important platform chemical. Succinic acid fermentation with Actinobacillus succinogenes strain BE-1 was optimized by central composite design （CCD） using a response surface methodology （RSM）. The optimized production of succinic acid was predicted and the interactive effects between glucose, yeast extract, and magnesium carbonate were investigated. As a result, a model for predicting the concentration of succinic acid production was developed. The accuracy of the model was confirmed by the analysis of variance （ANOVA）, and the validity was further proved by verification experiments showing that percentage errors between actual and predicted values varied from 3.02% to 6.38%. In addition, it was observed that the interactive effect between yeast extract and magnesium carbonate was statistically significant. In conclusion, RSM is an effective and useful method for optimizing the medium components and investigating the interactive effects, and can provide valuable information for succinic acid scale-up fermentation using A. succinogenes strain BE-I.展开更多
Straw incorporation is generally considered an effective agricultural management practice that improves nutrient cycling and maintains soil fertility. To study the interactive effects of straw returning factors on soi...Straw incorporation is generally considered an effective agricultural management practice that improves nutrient cycling and maintains soil fertility. To study the interactive effects of straw returning factors on soil organic carbon and available nutrients, a17-month(May 6, 2016 to October 6, 2017) experiment was conducted on straw incorporation by using response surface methodology under a three-factor(straw length, amount, and burying depth), five-level quadratic orthogonal rotation experimental design. Weight was assigned to each indicator for soil carbon and nutrients and then a comprehensive indicator was established. Then, a second-order polynomial model of the three straw returning factors was established using response surface methodology. Results indicated that17 months after straw incorporation, straw amount and burying depth had significant effects on the comprehensive indicator of soil carbon and nutrients. Straw length and the interactions of straw amount and burying depth showed no significant effects on the comprehensive indicator of soil carbon and nutrients. It was concluded that 17 months after straw incorporation, the highest value of the comprehensive indicator of soil carbon and nutrients was achieved when the straw length, amount, and burying depth were approximately 17–20 cm, 740–840 g m^(-2), and 9–13 cm, respectively, which can be recommended as the most suitable parameters for use in straw returning in the study area.展开更多
The propulsive efficiency of a plunging NACA0012 airfoil is maximized by means of a simple numerical optimization method based on the response surface methodology （RSM）. The control parameters are the amplitude and ...The propulsive efficiency of a plunging NACA0012 airfoil is maximized by means of a simple numerical optimization method based on the response surface methodology （RSM）. The control parameters are the amplitude and the reduced frequency of the harmonic sinusoidal motion. The 2D unsteady laminar flow around the plunging airfoil is computed by solving the Navier-Stokes equations for three Reynolds number values （Re = 3.3× 10^3, 1.1×10^4, and 2.2 × 10^4）. The Nelder-Mead algorithm is used to find the best control parameters leading to the optimal propulsive efficiency over the constructed response surfaces. It is found that, for a given efficiency level and regardless of the considered Re value, it is possible either to obtain high thrust by selecting a high oscillation frequency or to reduce the input power by adopting a low plunging amplitude. Key words： Plunging airfoil, Propulsive efficiency, Optimization, Response surface methodology （RSM）展开更多
基金Project(50378036) supported by the National Natural Science Foundation of China Project (200503) supported by the Foundation ofCommunications Department of Hunan Province, China
文摘An approach of limit state equation for surrounding rock was put forward based on deformation criterion. A method of symmetrical sampling of basic random variables adopted by classical response surface method was mended, and peak value and deflection degree of basic random variables distribution curve were took into account in the mended sampling method. A calculation way of probability moment, based on mended Rosenbluth method, suitable for non-explicit performance function was put forward. The first, second, third and fourth order moments of functional function value were calculated by mended Rosenbluth method through the first, second, third and fourth order moments of basic random variable. A probability density the function（PDF） of functional function was deduced through its first, second, third and fourth moments, the PDF in the new method took the place of the method of quadratic polynomial to approximate real functional function and reliability probability was calculated through integral by the PDF for random variable of functional function value in the new method. The result shows that the improved response surface method can adapt to various statistic distribution types of basic random variables, its calculation process is legible and need not itemtive circulation. In addition, a stability probability of surrounding rock for a tunnel was calculated by the improved method, whose workload is only 30% of classical method and its accuracy is comparative.
文摘A newly isolated strain EL31410, producing elastase (E.C3.4.4.7) with h igh elastolytic activity was identified as Bacillus sp. In the medium opt imizat ion, it was found that wheat bran and soybean flour hydrosate were the best crud e carbon and nitrogen source for enzyme production, respectively. Addition of co rn steep flour can affect the bacterium growth and elastase production. A fracti onal factorial design was applied to study the main factors that affect the enzy me production, and central composite experimental design and response surface me thodology were adopted to derive a statistical model for the effect of wheat bra n and soybean flour hydrosate on elastase production. The experimental results s howed that wheat bran had positive effect but soybean flour hydrosate had neg ative effect, on enzyme production. An initial concentration of 3.4%(w/v) wh eat b ran and 9.4%(v/v) soybean flour hydrosate were found to be optimal for enzyme pr oduction in batch culture. The time course of elastase production in the optimiz ed medium composition was also described.
文摘Coal is the world＇s most abundant energy source because of its abundance and relatively low cost. Due to the scarcity in the supply of high-grade coal, it is necessary to use low-.grade coal for fulfilling energy demands of modern civilization. However, due to ItS high ash and moisture content, low-grade coal exerts the substantial impact on their consumption like pyrolysis, liquefaction, gasification and combus- tion process. The present research aimed to develop the efficient technique for the production of clean coal by optimizing the operating parameters with the help of response surface methodology. The effect of three independent variables such as hydrofluoric acid （HF） concentration （10-20% by vo!ume ）,. temper- ature （60-100 ~C）, and time （90-180 min）, for ash reduction from the low-grade coal was Investigated.. A quadratic model was proposed to correlate the independent variables for maximum ash reduction at the optimum process condition by using central composite design （CC.D）method. The study reveals that HF concentration was the most effective parameter for ash reduction in comparison with time and temper- ature. It may be due to the higher F-statistics value for HF concentration, which effects to large extent of ash reduction. The characterization of coal was evaluated by Fourier transform infrared spectroscopy （FTIR） analysis and Field-emission scanning electron microscopy with energy-dispersive X-ray （FESEM- EDX） analysis for confirmation of the ash reduction.
文摘The methods of modifying dimension and shape of structure, or covering damping material are effective to reduce structure-borne noise, while these methods are based on the knowledge of qualitative and quantitative relationship between sound radiation and design parameters. In order to decrease the complexity of the problem, response surface method(RSM) was utilized to analyze and optimize the vibro-acoustic properties of the damping structure. A simple case was illustrated to demonstrate the capabilities of the developed procedure. A structure-born noise problem was approximated by a series of polynomials using RSM. Three main performances were considered, i.e. sound radiation power, first order modal frequency and total mass. Consequently, the response surface model not only gives the direction of design modification, it also leads to an optimal design of complex systems.
基金supported by the the National Science and Engineering Research Council(Canada)the Fonds Québécois de la Recherche sur la Nature et les Technologies(Province of Quebec)
文摘Mesoporous LaMnO3 perovskite catalysts with high surface area were synthesized by using the recently developed hard templating method designated as ＂nanocasting＂.Ordered mesoporous silica designated as SBA-15 was used as the hard template.It was found that the surface area of the nanocast perovskites can be tuned（80–190 m2/g）by varying the aging temperature of the SBA-15 template.Nanocast LaMnO3 catalysts showed high conversion efficiencies for the total oxidation of methanol under steady state conditions,the one with the highest value of surface area being the best catalysts,as expected.Kinetic studies were performed for all of the synthesized catalysts.Rate constants were found to vary in accordance with the specific surface area of the nanocast catalyst which depends on the aging temperature of the parent template.From the rate constants obtained from experimental conversions at various space velocities（19500 to 78200 h〈sup〉–1）,values of activation energy and pre-exponential factor for the three nanocast LaMnO3 catalysts were determined by the linear regression of the Arrhenius plot.It is observed that the activation energy for all the catalysts remain constant irrespective of the variation in specific surface area.Further,a linear relationship was found to exist between the pre-exponential factor and specific surface areas of the catalysts indicating that the rates per unit surface area remains the same for all the catalysts.
文摘A semi-empirical adsorption kinetic model was proposed with the time compensation method to describe the chemisorption of SO2 in flue gas by carbon adsorbents for flue gas purification.The change in adsorption capacity and adsorption rate with time at different water vapor concentrations and different SO2 concentrations was studied.The model was in good agreement with experimental data.The surface reaction was probably the rate controlling step in the early stage for SO2 adsorption by ZL50 activated carbon.The parameters m and n in the nth order adsorption kinetic model were related to the magnitude of the time compensation and adsorption driving force,respectively.The change of parameter n with water vapor concentrations and sulfur dioxide concentrations was studied and some physical implications were given.The sum of square errors was less than 1.0 and the average absolute percentage deviations ranged from 0.5 to 3.2.The kinetic model was compared with other models in the literature.
基金supported by the National Natural Science Foundation of China (No.21688102)the National Key Research and Development Program of China (No.2018YFA0208600)
文摘Recently, we proposed the extended phenomenological kinetics (XPK) method, which overcomes the notorious timescale separation difficulty between fast diffusion and slow chemical reactions in conventional kinetic Monte Carlo (KMC) simulations. In the present work, we make a comprehensive comparison, based on the newly developed XPK package, between the XPK method and the conventional KMC method using a model hydrogenation reaction system. Two potential energy surfaces with different lateral interactions have been designed to illustrate the advantages of the XPK method in computational costs, parallel efficiency and the convergence behaviors to steady states. The XPK method is shown to be efficient and accurate, holding the great promise for theoretical modelling in heterogeneous catalysis, in particular, when the role of the lateral interactions among adsorbates is crucial.
基金Natural Science Foundation of Tianjin(No.043100811)the Key Program of Natural Science Foundation of Tianjin(No.08JCZDJC17500)
文摘Low valence vanadium oxide(VO2-x) thin films were prepared on SiO2/Si substrates at room temperature by direct current facing targets reactive magnetron sputtering, and then proc- essed through rapid thermal annealing. The effects of the annealing on the structure and phase transition property of VO2 were discussed. X-ray photoelectron spectroscopy, X-ray diffraction tech- nique and Fourier transform infrared spectroscopy were employed to study the phase composition and structure of the thin films. The resistance-temperature property was measured. The results show that VO2 thin film is obtained after annealed at 320 ℃ for 3 h, its phase transition tempera- ture is 56 ℃, and the resistance changes by more than 2 orders. The vanadium oxide thin films are applicable in thermochromic smart windows, and the deposition and annealing process is compatible with micro electromechanical system process.
文摘The effects of low-level PES on the overall accuracy of the final surface constructed by using hierarchical construction were investigated with the constructions of a number of global surfaces for the H3 system at UHF （UMP2, DFT-B3LYP, UCCSD（T））/vtz, and UCCSD（T）/avqz levels of theory. The total reaction probabilities for the H＋H2 reaction calculated on these surfaces revealed that the accuracy of UCCSD（T）/avqz surface is very close to the well-known BKMP2 surface, while the UCCSD（T）/vtz PES has a slightly higher barrier. In contrast, the low-level theories （UHF, UMP2, DFT-B3LYP） with vtz basis set can only provide a qualitative description of this simplest reaction despite the fact that they are widely used to study reactions in complex systems. On the other hand, although these theories are not accurate on describing the reaction, they can be used to provide the low- level PESs for hierarchical construction of the UCCSD（T）/avqz PES with the number of UCCSD（T）/avqz energies substantially reduced.
基金supported by the National Major Special Project on New Varieties Cultivation for Transgenic Organisms(No.2009ZX08009-130B)the National Natural Science Foundation of China(No.50874112)the National High-Tech R&D Program(863)of China(No.2009AA06Z320)
文摘Succinic acid is considered as an important platform chemical. Succinic acid fermentation with Actinobacillus succinogenes strain BE-1 was optimized by central composite design （CCD） using a response surface methodology （RSM）. The optimized production of succinic acid was predicted and the interactive effects between glucose, yeast extract, and magnesium carbonate were investigated. As a result, a model for predicting the concentration of succinic acid production was developed. The accuracy of the model was confirmed by the analysis of variance （ANOVA）, and the validity was further proved by verification experiments showing that percentage errors between actual and predicted values varied from 3.02% to 6.38%. In addition, it was observed that the interactive effect between yeast extract and magnesium carbonate was statistically significant. In conclusion, RSM is an effective and useful method for optimizing the medium components and investigating the interactive effects, and can provide valuable information for succinic acid scale-up fermentation using A. succinogenes strain BE-I.
基金supported by the Special Fund for Agro-scientific Research in the Public Interest of China (No. 201503116-04)the Science and Technology Achievements Transformation Fund Project of China (No. 2013GB2B200134)
文摘Straw incorporation is generally considered an effective agricultural management practice that improves nutrient cycling and maintains soil fertility. To study the interactive effects of straw returning factors on soil organic carbon and available nutrients, a17-month(May 6, 2016 to October 6, 2017) experiment was conducted on straw incorporation by using response surface methodology under a three-factor(straw length, amount, and burying depth), five-level quadratic orthogonal rotation experimental design. Weight was assigned to each indicator for soil carbon and nutrients and then a comprehensive indicator was established. Then, a second-order polynomial model of the three straw returning factors was established using response surface methodology. Results indicated that17 months after straw incorporation, straw amount and burying depth had significant effects on the comprehensive indicator of soil carbon and nutrients. Straw length and the interactions of straw amount and burying depth showed no significant effects on the comprehensive indicator of soil carbon and nutrients. It was concluded that 17 months after straw incorporation, the highest value of the comprehensive indicator of soil carbon and nutrients was achieved when the straw length, amount, and burying depth were approximately 17–20 cm, 740–840 g m^(-2), and 9–13 cm, respectively, which can be recommended as the most suitable parameters for use in straw returning in the study area.
文摘The propulsive efficiency of a plunging NACA0012 airfoil is maximized by means of a simple numerical optimization method based on the response surface methodology （RSM）. The control parameters are the amplitude and the reduced frequency of the harmonic sinusoidal motion. The 2D unsteady laminar flow around the plunging airfoil is computed by solving the Navier-Stokes equations for three Reynolds number values （Re = 3.3× 10^3, 1.1×10^4, and 2.2 × 10^4）. The Nelder-Mead algorithm is used to find the best control parameters leading to the optimal propulsive efficiency over the constructed response surfaces. It is found that, for a given efficiency level and regardless of the considered Re value, it is possible either to obtain high thrust by selecting a high oscillation frequency or to reduce the input power by adopting a low plunging amplitude. Key words： Plunging airfoil, Propulsive efficiency, Optimization, Response surface methodology （RSM）
