Derivation of the Freundlich and Temkin isotherm models from the kinetic adsorption/desorpt ion equations was carried out to calculate their thermodynamic equilibrium constants. The calculation formulae ofthree thermo...Derivation of the Freundlich and Temkin isotherm models from the kinetic adsorption/desorpt ion equations was carried out to calculate their thermodynamic equilibrium constants. The calculation formulae ofthree thermodynamic parameters, the standard molar Gibbs free energy change, the standard molar enthalpy change and the standard molar entropy change, of isothermal adsorption processes for Freundlich andTemkin isotherm models were deduced according to the relationship between the thermodynamic equilibriumconstats and the temperature.展开更多
Naphthenic acids,NAs,are a major contaminant of concern and a focus of much research around remediation of oil sand process affected waters,OSPW.Using activated carbon adsorbents are an attractive option given their l...Naphthenic acids,NAs,are a major contaminant of concern and a focus of much research around remediation of oil sand process affected waters,OSPW.Using activated carbon adsorbents are an attractive option given their low cost of fabrication and implementation.A deeper evaluation of the effect NA structural differences have on uptake affinity is warranted.Here we provide an in-depth exploration of NA adsorption including many more model NA species than have been assessed previously with evaluation of adsorption kinetics and isotherms at the relevant alkaline pH of OSPW using several different carbon adsorbents with pH buffering to simulate the behaviour of real OSPW.Uptake for the NA varied considerably regardless of the activated carbon used,ranging from 350 mg/g to near zero highlighting recalcitrant NAs.The equilibrium data was explored to identify structural features of these species and key physiochemical properties that influence adsorption.We found that certainNAwill be resistant to adsorptionwhen hydrophobic adsorbents are used.Adsorption isotherm modelling helped explore interactions occurring at the interface between NA and adsorbent surfaces.We identified the importance of NA hydrophobicity for activated carbon uptake.Evidence is also presented that indicates favorable hydrogen bonding between certain NA and surface site hydroxyl groups,demonstrating the importance of adsorbent surface functionality for NA uptake.This research highlights the challenges associated with removing NAs from OSPW through adsorption and also identifies howadsorbent surface chemistry modification can be used to increase the removal efficiency of recalcitrant NA species.展开更多
A new competitive adsorption isothermal model(CAIM)was developed for the coexistent and competitive binding of heavy metals to the soil surface.This model extended the earlier adsorption isothermal models by consideri...A new competitive adsorption isothermal model(CAIM)was developed for the coexistent and competitive binding of heavy metals to the soil surface.This model extended the earlier adsorption isothermal models by considering more than one kind of ion adsorption on the soil surface.It was compared with the Langmuir model using different conditions, and it was found that CAIM,which was suitable for competitive ion adsorption at the soil solid-liquid surface,had more advantages than the Langmuir model.The new competitive adsorption isothermal model was used to fit the data of heavy metal(Zn and Cd)competitive adsorption by a yellow soil at two temperatures.The results showed that CAIM was appropriate for the competitive adsorption of heavy metals on the soil surface at different temperatures.The fitted parameters of CAIM had explicit physical meaning.The model allowed for the calculation of the standard molar Gibbs free energy change,the standard molar enthalpy change,and the standard molar entropy change of the competitive adsorption of the heavy metals,Zn and Cd,by the yellow soil at two temperatures using the thermodynamic equilibrium constants.展开更多
Isothermal compression of TC4 alloy was performed on a Thermecmaster-Z simulator at the deformation temperatures ranging from 1093 to 1243 K, the strain rates ranging from 0.001 to 10.000 s^-l and a maximum strain of ...Isothermal compression of TC4 alloy was performed on a Thermecmaster-Z simulator at the deformation temperatures ranging from 1093 to 1243 K, the strain rates ranging from 0.001 to 10.000 s^-l and a maximum strain of 0.8. The experimental results show that the flow stress increases with the decrease in the deformation temperature and the increase in the strain rate. The apparent activation energy for deformation is much lower at lower strain rates than that at higher strain rates. The flow stress model considering strain compensation was established. The average relative error between the calculated flow stress and experimental results is about 7.69%, indicating that the present model could be used to accurately predict the flow stress during high temperature in α＋β phase field of TC4 alloy.展开更多
A new phase field method for two-dimensional simulations of binary alloy solidification was studied. A model basing on solute conservative in every unit was developed for solving the solute diffusion equation during s...A new phase field method for two-dimensional simulations of binary alloy solidification was studied. A model basing on solute conservative in every unit was developed for solving the solute diffusion equation during solidification. Two-dimensional computations were performed for ideal solutions and Ni-Cu dendritic growth into an isothermal and highly supersaturated liquid phase.展开更多
Fluid flow and mixing of molten steel in a twin-slab-strand continuous casting tundish were investigated using a mixing model under non-isothermal conditions.This model led to a set of ordinary differential equations ...Fluid flow and mixing of molten steel in a twin-slab-strand continuous casting tundish were investigated using a mixing model under non-isothermal conditions.This model led to a set of ordinary differential equations that were solved with a Runge-Kutta algorithm.Steady state water modeling was carried out under non-isothermal conditions.Experimental data obtained from the water model were used to calibrate the mixing model.Owing to the presence of a mixed convection in the non-isothermal conditions,a channelizing flow would be created in the fluid inside the tundish.A mixing model was designed that was capable of predicting RTD（residence time distribution）curves for different cases in non-isothermal conditions.The relationship between RTD parameters and the Tu（tundish Richardson number）was obtained for various cases under non-isothermal conditions.The results show that the RTD parameters were completely different under isothermal and non-isothermal conditions.The comparison of the RTD curves between the isothermal and non-isothermal conditions presents that the extent of mixing in the tundish in non-isothermal conditions is lower than the mixing extent in isothermal conditions.展开更多
Since the capacity of CO2 adsorption of coal is a key factor in coal and CO2 outbursts,an experimental study was carried out on CO2 isothermal adsorption with high-pressure volumetry with dry coal samples from the No....Since the capacity of CO2 adsorption of coal is a key factor in coal and CO2 outbursts,an experimental study was carried out on CO2 isothermal adsorption with high-pressure volumetry with dry coal samples from the No.2 coal seam in the Haishiwan Coalfield.Four different equations(Langmuir,BET,D-R and D-A) were used to fit the experimental data.We discuss adsorption mechanisms.The results show that the amount of CO2 adsorption increases rapidly under low relative pressure,i.e.,the ratio of equilibrium pressure and saturated vapor pressure,which indicates that molecular layer adsorption or micropore filling may occur in coal.No clear equilibrium state was observed on the isothermal adsorption curves under relative pressure(P /P0 ) ranging from 0 to 0.8.The fitted results show that the accuracy of the D-A equation is highest with n=1.Micropores are more developed in coal by comparing the BET equation with a pressure mercury injection method on the surface area.The D-A equation(n=1) provides the best fit.By comparing the calculated specific surface area of the BET equation and the mercury intrusion method,it is found that micropore adsorption of CO2 occupies a dominant position.展开更多
In this work, the non-isothermal dissolution kinetics of the sigma phase in duplex stainless steels has been studied and modelled. A semi-empirical model is proposed to describe the kinetics of sigma phase precipitati...In this work, the non-isothermal dissolution kinetics of the sigma phase in duplex stainless steels has been studied and modelled. A semi-empirical model is proposed to describe the kinetics of sigma phase precipitation/dissolution during continuous heating starting from the isothermal transformation kinetics. The proposed model, which presumes validity of the additivity rule, is validated by means of experimental investigations. A good agreement is found between experimental and analytical results.展开更多
Four coal samples of different ranks are selected to perform the adsorption measurement of high-pressure methane（CH4）.The highest equilibrium pressure of the measurement exceeds 20 MPa. Combined with the measuring r...Four coal samples of different ranks are selected to perform the adsorption measurement of high-pressure methane（CH4）.The highest equilibrium pressure of the measurement exceeds 20 MPa. Combined with the measuring results and theoretical analyses,the reasons for the peak or the maximum adsorption capacity appearing in the excess adsorption isotherms are explained.The rules of the peak occurrence are summarized.And then,based on the features of coal pore structure,the adsorption features of high-pressure gas,the microcosmic interaction relationship of coal surface and CH4 molecule,and the coalbed methane reservoir conditions,three theoretical assumptions on the coal adsorption high-pressure CH_4 are suggested.Thereafter,on the basis of these theoretical assumptions,the Ono-Kondo lattice model is processed for simplification and deformation. Subsequently,the equations modeling the excess adsorption isotherm of high-pressure CH_4 adsorption on coal are obtained.Through the verification on the measurement data,the fitting results indicate that it is feasible to use the Ono-Kondo lattice mode to model the excess adsorption isotherm of high-pressure CH_4 adsorption on coal.展开更多
Non-isothermal combustion kinetics of two kinds of low volatile pulverized coals （HL coal and RU coal） were investigated by thermogravimetrie analysis. The results show that the combustibility of HL coal was better ...Non-isothermal combustion kinetics of two kinds of low volatile pulverized coals （HL coal and RU coal） were investigated by thermogravimetrie analysis. The results show that the combustibility of HL coal was better than that of RU coal, and with increasing heating rate, ignition and burnout characteristics of pulverized coal were improved. The volume model （VM）, the random pore model （RPM）, and the new model （NEWM） in which the whole combustion process is considered to be the overlapping process of volatile combustion and coal char combustion, were used to fit with the experimental data. The comparison of these three fitted results indicated that the combustion process of coal could be simulated by the NEWM with highest precision. When calculated by the NEWM, the activation energies of volatile combustion and coal char combustion are 130.5 and 95.7 kJ · mol^-1 for HL coal, respectively, while they are 114.5 and 147.6 kJ ·mol^-1 for RU coal, respectively.展开更多
The aim of study is to investigate the removal ability of some natural adsorbents for fluoride ion from aqueous solution. The batch dynamic adsorption method was carried out at neutral pH as the functions of contact t...The aim of study is to investigate the removal ability of some natural adsorbents for fluoride ion from aqueous solution. The batch dynamic adsorption method was carried out at neutral pH as the functions of contact time, adsorbent dose, adsorbate concentration, temperature and effect of co-anions, which are commonly present in water. The sorption kinetics and equilibrium adsorption isotherms of fluoride on natural adsorbing materials had been investigated at afore-mentioned optimized. Equilibrium adsorption isotherms, viz., Freundlich and Langmuir isotherms were investigated. Lagergren and Morris-Weber kinetic equations were employed to find the rate constants. The negative enthalpy ΔH = -46.54 KJ·mol-1 and Gibbs free energy calculated was ΔG288-333—(2.07785, 3.08966, 4.1064, 4.90716 and 5.38036 KJ·mol-1) respectively, envisage exothermic and spontaneous nature of sorption.展开更多
During the multi-stage processing of advanced high-strength steels, the austenite-to-ferrite transformation, generally as a precursor of the formation of other non-equilibrium or metastable structures, has a severe ef...During the multi-stage processing of advanced high-strength steels, the austenite-to-ferrite transformation, generally as a precursor of the formation of other non-equilibrium or metastable structures, has a severe effect on the subsequent phase transformations. Herein, a more flexible kinetic and microstructural predictive modeling for the key austenite-to-ferrite transformation of Fe-C-Mn-Si steels was developed,in combination with the classical nucleation theory, the general mixed-mode growth model based on Gibbs energy balance, the microstructural path method and the kinetic framework for grain boundary nucleation. Adopting a bounded, extended matrix space corresponding to a single ferrite grain, both softimpingement and hard-impingement can be naturally included in the current modeling. Accordingly, this model outputs the ferrite volume fraction, the austenite/ferrite interface area per unit volume, and the average grain size of ferrite, which will serve as the input parameters for modeling the subsequent bainite or martensite transformations. Applying the model, this work successfully predicts the experiment measurement of the isothermal austenite-to-ferrite transformation in Fe-0.17 C-0.91 Mn-1.03 Si(wt%) steel at different temperatures and explains why the final-state average grain size of ferrite has a maximum at the moderate annealing temperature. Effectiveness and advantages of the present model are discussed arising from kinetics and thermodynamics accompanied with nucleation, growth and impingement.展开更多
This paper is devoted to weak solutions of Cauchy problem to the isothermal bipolar hydrodynamic model with large data. The model takes the bipolar Euler-Poisson form, with electric field and relaxation terms added to...This paper is devoted to weak solutions of Cauchy problem to the isothermal bipolar hydrodynamic model with large data. The model takes the bipolar Euler-Poisson form, with electric field and relaxation terms added to the momentum equations. Using Glimm scheme to the hyperbolic part and the standard theory to the ordinary differential equations, we first construct the approximation solutions, then from the facts that the total charge is quasi-conservation, we can obtain a uniform estimate of the total variation of the electric field, which allows to prove the L∞ estimate of densities and velocities, and the convergence of the scheme. Then we can prove the global existence of weal solution to Cauchy problem with large data.展开更多
Two comparative models taking into account of momentum, energy and mass transport coupled with chemical reaction kinetics were proposed to simulate gas transport in isothermal CVI reactor for fabrication of C/SiC comp...Two comparative models taking into account of momentum, energy and mass transport coupled with chemical reaction kinetics were proposed to simulate gas transport in isothermal CVI reactor for fabrication of C/SiC composites. Convection in preform was neglected in one model where momentum transport in preform is neglected and mass transport in preform is dominated by diffusion. Whereas convection in preform was taken into account in the other model where momentum transport in preform is represented by BRINKMAN equations and mass transport in preform includes both diffusion and convection. The integrated models were solved by finite element method. The calculation results show that convection in preform have negligible effect on both velocity distribution and concentration distribution. The difference between MTS molarities in preform of the two models is less than 5×10-5, which indicates that ignorance of convection in preform is reasonable and acceptable for numerical simulation of ICVI process of C/SiC composites.展开更多
Bromocresol green(BCG)and malachite green(MG)are water-soluble toxic organic dyes with adverse health and environmental implications.This study presented a conjugate imprinted adsorbent(CIA)synthesized by incorporatin...Bromocresol green(BCG)and malachite green(MG)are water-soluble toxic organic dyes with adverse health and environmental implications.This study presented a conjugate imprinted adsorbent(CIA)synthesized by incorporating trimethoprim vanillin ligand into a highly crosslinked polymer,designed for the efficient removal of BCG and MG from wastewater.Characterization of CIA involved X-ray powder diffraction,Fourier transform infrared,and scanning electron microscopic analyses.Batch adsorption processes were conducted to evaluate the adsorption characteristics of CIA,with focuses on the effects of contact time,initial dye concentration,pH,and temperature.The molecularly imprinted polymers(MIPs)achieved removal efficiencies of 99.27%and 98.99%at equilibrium for BCG and MG adsorption,respectively.The non-imprinted polymers(NIPs)demonstrated BCG and MG adsorption efficiencies of 51.52%and 62.90%at equilibrium,respectively.Kinetic and isotherm models were employed to elucidate the BCG and MG adsorption mechanisms.The thermodynamic results indicated non-spontaneous and spontaneous reactions for BCG and MG adsorption on MIPs under the examined temperature conditions.The adsorbent exhibited sustained high removal efficiency through five reuse cycles,with no apparent reduction in adsorption performance.Validation of the adsorbent using real textile wastewater samples achieved BCG and MG removal efficiencies of 85.5%-87.5%.The adsorbent outperformed previously reported materials in BCG and MG adsorption.The synthesized CIA is a promising adsorbent for BCG and MG dye removal,contributing to water sustainability.展开更多
This study predicts the characteristics of a compressible polytropic air spring model. A second-order nonlinear autonomous air spring model is presented. The proposed model is based on the assumption that polytropic p...This study predicts the characteristics of a compressible polytropic air spring model. A second-order nonlinear autonomous air spring model is presented. The proposed model is based on the assumption that polytropic processes occur. Isothermal and isentropic compression and expansion of the air within the spring chambers are the two scenarios that are taken into consideration. In these situations, the air inside the spring chambers compresses and expands, resulting in nonlinear spring restoring forces. The MATLAB/Simulink software environment is used to build a numerical simulation model for the dynamic behavior of the air spring. To quantify the values of the stiffnesses of the proposed models, a numerical solution is run over time for various values of the design parameters. The isentropic process case has a higher dynamic air spring stiffness than the isothermal process case, according to the results. The size of the air spring chamber and the area of the air spring piston influence the air spring stiffness in both situations. It is demonstrated that the stiffness of the air spring increases linearly with increasing piston area and decreases nonlinearly with increasing air chamber length. As long as the ratio of the vibration’s amplitude to the air spring’s chamber length is small, there is good agreement in both scenarios between the linearized model and the full nonlinear model. This implies that linear modeling is a reasonable approximation of the complete nonlinear model in this particular scenario.展开更多
Biochar,as an efficient,effective,and potential soil improver,has broad application prospects in the field of defluoridation.This study aimed to evaluate the defluoridation potential of iron(Fe)and manganese(Mn)co-mod...Biochar,as an efficient,effective,and potential soil improver,has broad application prospects in the field of defluoridation.This study aimed to evaluate the defluoridation potential of iron(Fe)and manganese(Mn)co-modified biochar from groundwater.The varied Fe/Mn molar ratio(2∶1 and 1∶2)modified biochar was prepared by corncob with the pyrolysis temperature of 300℃,400℃,and 500℃.Batch experiments for fluoride(F^(-))removal were performed by corncob biochar before and after Fe-Mn modified.Their composition,structure,and performance were analyzed by multiple characterization techniques to clarify F‒removal mechanisms.Our results indicated that unmodified corncob biochar produced at 400℃(BC400)exhibited the highest F‒adsorption efficiency(87.3%)among three unmodified samples,attributable to its largest specific surface area(2.55 m^(2)/g).Notably,F‒removal amounts by Fe-Mn modified BC400 were 2 times higher than BC400.The enhanced F⁻removal performance of Fe-Mn modified biochar can be attributed to several mechanisms:(1)the modification produced rougher surface textures,resulting in an increased specific surface area(about 3.50 m^(2)/g);(2)newly formed Fe-O and Mn-O bonds on the biochar surface facilitated the formation of complexes with F^(-);and(3)the adsorption results fitted well with pseudo-second-order and Freundlich models(R^(2)>0.98),indicating that the removal process involved physicochemical adsorption.These findings demonstrate that Fe-Mn modified biochar is a highly efficient and cost-effective material for F^(-)remediation and holds significant potential for application in contaminated groundwater and soil systems.展开更多
文摘Derivation of the Freundlich and Temkin isotherm models from the kinetic adsorption/desorpt ion equations was carried out to calculate their thermodynamic equilibrium constants. The calculation formulae ofthree thermodynamic parameters, the standard molar Gibbs free energy change, the standard molar enthalpy change and the standard molar entropy change, of isothermal adsorption processes for Freundlich andTemkin isotherm models were deduced according to the relationship between the thermodynamic equilibriumconstats and the temperature.
文摘Naphthenic acids,NAs,are a major contaminant of concern and a focus of much research around remediation of oil sand process affected waters,OSPW.Using activated carbon adsorbents are an attractive option given their low cost of fabrication and implementation.A deeper evaluation of the effect NA structural differences have on uptake affinity is warranted.Here we provide an in-depth exploration of NA adsorption including many more model NA species than have been assessed previously with evaluation of adsorption kinetics and isotherms at the relevant alkaline pH of OSPW using several different carbon adsorbents with pH buffering to simulate the behaviour of real OSPW.Uptake for the NA varied considerably regardless of the activated carbon used,ranging from 350 mg/g to near zero highlighting recalcitrant NAs.The equilibrium data was explored to identify structural features of these species and key physiochemical properties that influence adsorption.We found that certainNAwill be resistant to adsorptionwhen hydrophobic adsorbents are used.Adsorption isotherm modelling helped explore interactions occurring at the interface between NA and adsorbent surfaces.We identified the importance of NA hydrophobicity for activated carbon uptake.Evidence is also presented that indicates favorable hydrogen bonding between certain NA and surface site hydroxyl groups,demonstrating the importance of adsorbent surface functionality for NA uptake.This research highlights the challenges associated with removing NAs from OSPW through adsorption and also identifies howadsorbent surface chemistry modification can be used to increase the removal efficiency of recalcitrant NA species.
基金Project supported by the Program for Changjiang Scholars and Innovative Research Team in University of China(No.IRT0749)
文摘A new competitive adsorption isothermal model(CAIM)was developed for the coexistent and competitive binding of heavy metals to the soil surface.This model extended the earlier adsorption isothermal models by considering more than one kind of ion adsorption on the soil surface.It was compared with the Langmuir model using different conditions, and it was found that CAIM,which was suitable for competitive ion adsorption at the soil solid-liquid surface,had more advantages than the Langmuir model.The new competitive adsorption isothermal model was used to fit the data of heavy metal(Zn and Cd)competitive adsorption by a yellow soil at two temperatures.The results showed that CAIM was appropriate for the competitive adsorption of heavy metals on the soil surface at different temperatures.The fitted parameters of CAIM had explicit physical meaning.The model allowed for the calculation of the standard molar Gibbs free energy change,the standard molar enthalpy change,and the standard molar entropy change of the competitive adsorption of the heavy metals,Zn and Cd,by the yellow soil at two temperatures using the thermodynamic equilibrium constants.
基金financially supported by China Postdoctoral Science Foundation (No. 2017M610649)Fundamental Research Funds for the Central Universities (No. 3102017zy001)
文摘Isothermal compression of TC4 alloy was performed on a Thermecmaster-Z simulator at the deformation temperatures ranging from 1093 to 1243 K, the strain rates ranging from 0.001 to 10.000 s^-l and a maximum strain of 0.8. The experimental results show that the flow stress increases with the decrease in the deformation temperature and the increase in the strain rate. The apparent activation energy for deformation is much lower at lower strain rates than that at higher strain rates. The flow stress model considering strain compensation was established. The average relative error between the calculated flow stress and experimental results is about 7.69%, indicating that the present model could be used to accurately predict the flow stress during high temperature in α＋β phase field of TC4 alloy.
基金the National Natural Science Foundation of China financially(Grant No.10176009)
文摘A new phase field method for two-dimensional simulations of binary alloy solidification was studied. A model basing on solute conservative in every unit was developed for solving the solute diffusion equation during solidification. Two-dimensional computations were performed for ideal solutions and Ni-Cu dendritic growth into an isothermal and highly supersaturated liquid phase.
文摘Fluid flow and mixing of molten steel in a twin-slab-strand continuous casting tundish were investigated using a mixing model under non-isothermal conditions.This model led to a set of ordinary differential equations that were solved with a Runge-Kutta algorithm.Steady state water modeling was carried out under non-isothermal conditions.Experimental data obtained from the water model were used to calibrate the mixing model.Owing to the presence of a mixed convection in the non-isothermal conditions,a channelizing flow would be created in the fluid inside the tundish.A mixing model was designed that was capable of predicting RTD（residence time distribution）curves for different cases in non-isothermal conditions.The relationship between RTD parameters and the Tu（tundish Richardson number）was obtained for various cases under non-isothermal conditions.The results show that the RTD parameters were completely different under isothermal and non-isothermal conditions.The comparison of the RTD curves between the isothermal and non-isothermal conditions presents that the extent of mixing in the tundish in non-isothermal conditions is lower than the mixing extent in isothermal conditions.
基金the National Basic Research Program of China (No.2005CB221503)the Major Program of the National Natural Science Foundation (Nos.70533050 and 50674089) for their support of this project
文摘Since the capacity of CO2 adsorption of coal is a key factor in coal and CO2 outbursts,an experimental study was carried out on CO2 isothermal adsorption with high-pressure volumetry with dry coal samples from the No.2 coal seam in the Haishiwan Coalfield.Four different equations(Langmuir,BET,D-R and D-A) were used to fit the experimental data.We discuss adsorption mechanisms.The results show that the amount of CO2 adsorption increases rapidly under low relative pressure,i.e.,the ratio of equilibrium pressure and saturated vapor pressure,which indicates that molecular layer adsorption or micropore filling may occur in coal.No clear equilibrium state was observed on the isothermal adsorption curves under relative pressure(P /P0 ) ranging from 0 to 0.8.The fitted results show that the accuracy of the D-A equation is highest with n=1.Micropores are more developed in coal by comparing the BET equation with a pressure mercury injection method on the surface area.The D-A equation(n=1) provides the best fit.By comparing the calculated specific surface area of the BET equation and the mercury intrusion method,it is found that micropore adsorption of CO2 occupies a dominant position.
文摘In this work, the non-isothermal dissolution kinetics of the sigma phase in duplex stainless steels has been studied and modelled. A semi-empirical model is proposed to describe the kinetics of sigma phase precipitation/dissolution during continuous heating starting from the isothermal transformation kinetics. The proposed model, which presumes validity of the additivity rule, is validated by means of experimental investigations. A good agreement is found between experimental and analytical results.
基金supported by the project of China National 973 Program"Basic Research on Enrichment Mechanism and Improving the Exploitation Efficiency of Coalbed Methane Reservoir"(Grant No. 2009CB219600)the National Natural Science Foundation of China(Grant No.40672100)
文摘Four coal samples of different ranks are selected to perform the adsorption measurement of high-pressure methane（CH4）.The highest equilibrium pressure of the measurement exceeds 20 MPa. Combined with the measuring results and theoretical analyses,the reasons for the peak or the maximum adsorption capacity appearing in the excess adsorption isotherms are explained.The rules of the peak occurrence are summarized.And then,based on the features of coal pore structure,the adsorption features of high-pressure gas,the microcosmic interaction relationship of coal surface and CH4 molecule,and the coalbed methane reservoir conditions,three theoretical assumptions on the coal adsorption high-pressure CH_4 are suggested.Thereafter,on the basis of these theoretical assumptions,the Ono-Kondo lattice model is processed for simplification and deformation. Subsequently,the equations modeling the excess adsorption isotherm of high-pressure CH_4 adsorption on coal are obtained.Through the verification on the measurement data,the fitting results indicate that it is feasible to use the Ono-Kondo lattice mode to model the excess adsorption isotherm of high-pressure CH_4 adsorption on coal.
基金Item Sponsored by National Basic Research Program(973Program)of China(2012CB720401)National Key Technology Research and Development Program in the 12th Five-year Plan of China(2011BAC01B02)
文摘Non-isothermal combustion kinetics of two kinds of low volatile pulverized coals （HL coal and RU coal） were investigated by thermogravimetrie analysis. The results show that the combustibility of HL coal was better than that of RU coal, and with increasing heating rate, ignition and burnout characteristics of pulverized coal were improved. The volume model （VM）, the random pore model （RPM）, and the new model （NEWM） in which the whole combustion process is considered to be the overlapping process of volatile combustion and coal char combustion, were used to fit with the experimental data. The comparison of these three fitted results indicated that the combustion process of coal could be simulated by the NEWM with highest precision. When calculated by the NEWM, the activation energies of volatile combustion and coal char combustion are 130.5 and 95.7 kJ · mol^-1 for HL coal, respectively, while they are 114.5 and 147.6 kJ ·mol^-1 for RU coal, respectively.
文摘The aim of study is to investigate the removal ability of some natural adsorbents for fluoride ion from aqueous solution. The batch dynamic adsorption method was carried out at neutral pH as the functions of contact time, adsorbent dose, adsorbate concentration, temperature and effect of co-anions, which are commonly present in water. The sorption kinetics and equilibrium adsorption isotherms of fluoride on natural adsorbing materials had been investigated at afore-mentioned optimized. Equilibrium adsorption isotherms, viz., Freundlich and Langmuir isotherms were investigated. Lagergren and Morris-Weber kinetic equations were employed to find the rate constants. The negative enthalpy ΔH = -46.54 KJ·mol-1 and Gibbs free energy calculated was ΔG288-333—(2.07785, 3.08966, 4.1064, 4.90716 and 5.38036 KJ·mol-1) respectively, envisage exothermic and spontaneous nature of sorption.
基金financially supported by the National Key R&D Program of China (Nos. 2017YFB0703001 and 2017YFB0305100)the National Natural Science Foundation of China (Nos. 51134011, 51431008, 51790483 and 51801157)+4 种基金the Fundamental Research Funds for the Central Universities (No. 3102017zy064)the Research Fund of the State Key Laboratory of Solidification Processing (Nos. 117-TZ-2015, 159-QP-2016)the Analytical & Testing Center of Northwestern Polytechnical University for Equipment Supportfinancial support from the Top International University Visiting Program for Outstanding Young Scholars of Northwestern Polytechnical Universitythe China Scholarship Council (CSC) Scholarship
文摘During the multi-stage processing of advanced high-strength steels, the austenite-to-ferrite transformation, generally as a precursor of the formation of other non-equilibrium or metastable structures, has a severe effect on the subsequent phase transformations. Herein, a more flexible kinetic and microstructural predictive modeling for the key austenite-to-ferrite transformation of Fe-C-Mn-Si steels was developed,in combination with the classical nucleation theory, the general mixed-mode growth model based on Gibbs energy balance, the microstructural path method and the kinetic framework for grain boundary nucleation. Adopting a bounded, extended matrix space corresponding to a single ferrite grain, both softimpingement and hard-impingement can be naturally included in the current modeling. Accordingly, this model outputs the ferrite volume fraction, the austenite/ferrite interface area per unit volume, and the average grain size of ferrite, which will serve as the input parameters for modeling the subsequent bainite or martensite transformations. Applying the model, this work successfully predicts the experiment measurement of the isothermal austenite-to-ferrite transformation in Fe-0.17 C-0.91 Mn-1.03 Si(wt%) steel at different temperatures and explains why the final-state average grain size of ferrite has a maximum at the moderate annealing temperature. Effectiveness and advantages of the present model are discussed arising from kinetics and thermodynamics accompanied with nucleation, growth and impingement.
基金Supported by the National Natural Science Foundation of China(11171223)
文摘This paper is devoted to weak solutions of Cauchy problem to the isothermal bipolar hydrodynamic model with large data. The model takes the bipolar Euler-Poisson form, with electric field and relaxation terms added to the momentum equations. Using Glimm scheme to the hyperbolic part and the standard theory to the ordinary differential equations, we first construct the approximation solutions, then from the facts that the total charge is quasi-conservation, we can obtain a uniform estimate of the total variation of the electric field, which allows to prove the L∞ estimate of densities and velocities, and the convergence of the scheme. Then we can prove the global existence of weal solution to Cauchy problem with large data.
基金Project(90405015) supported by the National Natural Science Foundation of China Project(50425208) supported by the National Young Elitists Foundation of China Project([2005]33) supported by Program for Changjiang Scholars and Innovative Research Team in University of China
文摘Two comparative models taking into account of momentum, energy and mass transport coupled with chemical reaction kinetics were proposed to simulate gas transport in isothermal CVI reactor for fabrication of C/SiC composites. Convection in preform was neglected in one model where momentum transport in preform is neglected and mass transport in preform is dominated by diffusion. Whereas convection in preform was taken into account in the other model where momentum transport in preform is represented by BRINKMAN equations and mass transport in preform includes both diffusion and convection. The integrated models were solved by finite element method. The calculation results show that convection in preform have negligible effect on both velocity distribution and concentration distribution. The difference between MTS molarities in preform of the two models is less than 5×10-5, which indicates that ignorance of convection in preform is reasonable and acceptable for numerical simulation of ICVI process of C/SiC composites.
文摘针对数值模拟时常将质子交换膜电解池(PEMEC)视为等温状态的问题,建立了稳态、三维、两相、非等温的PEMEC单流道模型,研究了等温模型和非等温模型对模拟结果的影响,分析了PEMEC的产热规律和温度分布.结果表明:非等温模型能更准确模拟PEMEC的工作性能;相同工作电压下,非等温模型计算得到的电流密度值高于等温模型,且工作电压越高,二者相差越大;工作电压高于1.4 V时,总产热量呈抛物线趋势增加,阳极催化层(ACL)、阴极催化层(CCL)、质子交换膜(PEM)的产热量占比超过98%,ACL的产热密度高于PEM和CCL;与仅阳极侧供水相比,当工作电压为2.2 V时,采用阴极顺流和逆流供水可将膜电极(MEA)的温度均匀性从0.44%分别降至0.16%和0.14%,极限温差从12.25 K降至4.13和3.69 K.
文摘Bromocresol green(BCG)and malachite green(MG)are water-soluble toxic organic dyes with adverse health and environmental implications.This study presented a conjugate imprinted adsorbent(CIA)synthesized by incorporating trimethoprim vanillin ligand into a highly crosslinked polymer,designed for the efficient removal of BCG and MG from wastewater.Characterization of CIA involved X-ray powder diffraction,Fourier transform infrared,and scanning electron microscopic analyses.Batch adsorption processes were conducted to evaluate the adsorption characteristics of CIA,with focuses on the effects of contact time,initial dye concentration,pH,and temperature.The molecularly imprinted polymers(MIPs)achieved removal efficiencies of 99.27%and 98.99%at equilibrium for BCG and MG adsorption,respectively.The non-imprinted polymers(NIPs)demonstrated BCG and MG adsorption efficiencies of 51.52%and 62.90%at equilibrium,respectively.Kinetic and isotherm models were employed to elucidate the BCG and MG adsorption mechanisms.The thermodynamic results indicated non-spontaneous and spontaneous reactions for BCG and MG adsorption on MIPs under the examined temperature conditions.The adsorbent exhibited sustained high removal efficiency through five reuse cycles,with no apparent reduction in adsorption performance.Validation of the adsorbent using real textile wastewater samples achieved BCG and MG removal efficiencies of 85.5%-87.5%.The adsorbent outperformed previously reported materials in BCG and MG adsorption.The synthesized CIA is a promising adsorbent for BCG and MG dye removal,contributing to water sustainability.
文摘This study predicts the characteristics of a compressible polytropic air spring model. A second-order nonlinear autonomous air spring model is presented. The proposed model is based on the assumption that polytropic processes occur. Isothermal and isentropic compression and expansion of the air within the spring chambers are the two scenarios that are taken into consideration. In these situations, the air inside the spring chambers compresses and expands, resulting in nonlinear spring restoring forces. The MATLAB/Simulink software environment is used to build a numerical simulation model for the dynamic behavior of the air spring. To quantify the values of the stiffnesses of the proposed models, a numerical solution is run over time for various values of the design parameters. The isentropic process case has a higher dynamic air spring stiffness than the isothermal process case, according to the results. The size of the air spring chamber and the area of the air spring piston influence the air spring stiffness in both situations. It is demonstrated that the stiffness of the air spring increases linearly with increasing piston area and decreases nonlinearly with increasing air chamber length. As long as the ratio of the vibration’s amplitude to the air spring’s chamber length is small, there is good agreement in both scenarios between the linearized model and the full nonlinear model. This implies that linear modeling is a reasonable approximation of the complete nonlinear model in this particular scenario.
基金financially supported by the National Natural Science Foundation of China(42007181)Chinese Academy of Geological Sciences Basal Research Fund(CSJ-2024-03)National Key Research and Development Program of China(2023YFC3709104).
文摘Biochar,as an efficient,effective,and potential soil improver,has broad application prospects in the field of defluoridation.This study aimed to evaluate the defluoridation potential of iron(Fe)and manganese(Mn)co-modified biochar from groundwater.The varied Fe/Mn molar ratio(2∶1 and 1∶2)modified biochar was prepared by corncob with the pyrolysis temperature of 300℃,400℃,and 500℃.Batch experiments for fluoride(F^(-))removal were performed by corncob biochar before and after Fe-Mn modified.Their composition,structure,and performance were analyzed by multiple characterization techniques to clarify F‒removal mechanisms.Our results indicated that unmodified corncob biochar produced at 400℃(BC400)exhibited the highest F‒adsorption efficiency(87.3%)among three unmodified samples,attributable to its largest specific surface area(2.55 m^(2)/g).Notably,F‒removal amounts by Fe-Mn modified BC400 were 2 times higher than BC400.The enhanced F⁻removal performance of Fe-Mn modified biochar can be attributed to several mechanisms:(1)the modification produced rougher surface textures,resulting in an increased specific surface area(about 3.50 m^(2)/g);(2)newly formed Fe-O and Mn-O bonds on the biochar surface facilitated the formation of complexes with F^(-);and(3)the adsorption results fitted well with pseudo-second-order and Freundlich models(R^(2)>0.98),indicating that the removal process involved physicochemical adsorption.These findings demonstrate that Fe-Mn modified biochar is a highly efficient and cost-effective material for F^(-)remediation and holds significant potential for application in contaminated groundwater and soil systems.
