In this work,the structure,viscosity and ion-exchange process of Na_(2)O-MgO-Al_(2)O_(3)-SiO_(2) glasses with different Al_(2)O_(3)/SiO_(2) molar ratios were investigated.The results showed that,with increasing Al_(2)...In this work,the structure,viscosity and ion-exchange process of Na_(2)O-MgO-Al_(2)O_(3)-SiO_(2) glasses with different Al_(2)O_(3)/SiO_(2) molar ratios were investigated.The results showed that,with increasing Al_(2)O_(3)/SiO_(2) ratio,the simple structural units Q_(1) and Q_(2) transformed into highly aggregated structural units Q_(3) and Q_(4),indicating the increase of polymerization degree of glass network.Meanwhile,the coefficient of thermal expansion decreased from 9.23×10^(-6)℃^(-1) to 8.88×10^(-6)℃^(-1).The characteristic temperatures such as melting,forming,softening and glass transition temperatures increased with the increase of Al_(2)O_(3)/SiO_(2) ratio,while the glasses working temperature range became narrow.The increasing Al_(2)O_(3)/SiO_(2) ratio and prolonging ion-exchange time enhanced the surface compressive stress(CS)and depth of stress layer(DOL).However,the increase of ion exchange temperature increased the DOL and decreased the CS affected by stress relaxation.There was a good linear relationship between stress relaxation and surface compressive stress.Chemical strengthening significantly improved the hardness of glasses,which reached the maximum value of(622.1±10)MPa for sample with Al_(2)O_(3)/SiO_(2) ratio of 0.27 after heat treated at 410℃for 2 h.展开更多
The neutral beam injection is widely adopted in tokamaks as a key heating tool,playing a crucial role in generating burning plasmas.However,the loss of beam ions can damage the first wall and reduce the heating effici...The neutral beam injection is widely adopted in tokamaks as a key heating tool,playing a crucial role in generating burning plasmas.However,the loss of beam ions can damage the first wall and reduce the heating efficiency,resulting in failure to maintain steady-state conditions.In this work,the effect of neutral particles in the edge on fast ions generated by NBI in the Experimental Advanced Superconducting Tokamak(EAST)device is studied using the particle tracer code(PTC).The poloidal distribution of neutral particles is calculated by edge plasma simulation code SOLPS-ITER.In this simulation,four beam lines in EAST are considered:co-current tangential(co-tang),co-current perpendicular(co-perp),counter-current tangential(ctr-tang)and counter-current perpendicular(ctr-perp).It is shown that,in the absence of neutral particles,the loss fraction of ctr-injection is considerably higher than that of the co-injection.When considering the neutral particles,it is found that the ctr-perp injection demonstrates a significant variation in particles loss fraction(ranging from 18.56%to 25.42%)compared to the other three injection configurations.In terms of the loss fraction induced by neutral particles,ctr-injection exceeds co-injection,and perpendicular configuration exceeds tangential configuration.Furthermore,the difference of charge exchange ratios of three different energy(full energy,half energy,one third energy)of the four injections can be attributed to variations in the poloidal trajectories associated with each of these injections.Moreover,approximately half of fast ions which undergo neutralization directly lose to the first wall while the rest re-enter the bulk plasma and re-ionize.Except for the ctr-tang injection,the reionization ions from the other three injections exhibit effective confinement.展开更多
The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations.In the present work,using the cold target recoil ion momentum spectroscopy,for the first ti...The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations.In the present work,using the cold target recoil ion momentum spectroscopy,for the first time we investigated the state-selective single electron capture processes for S^(q+)–He and H_(2)(q=11–15)collision systems at an impact energy of q×20 keV and obtained the relative state-selective cross sections.The results indicate that only a few principal quantum states of the projectile energy level are populated in a single electron capture process.In particular,the increase of the projectile charge state leads to the population of the states with higher principal quantum numbers.It is also shown that the experimental averaged n-shell populations are reproduced well by the over-barrier model.The database is openly available in Science Data Bank at 10.57760/sciencedb.j00113.00091.展开更多
Considerable efforts are being made to transition current lithium-ion and sodium-ion batteries towards the use of solid-state electrolytes.Computational methods,specifically nudged elastic band(NEB)and molecular dynam...Considerable efforts are being made to transition current lithium-ion and sodium-ion batteries towards the use of solid-state electrolytes.Computational methods,specifically nudged elastic band(NEB)and molecular dynamics(MD)methods,provide powerful tools for the design of solid-state electrolytes.The MD method is usually the choice for studying the materials involving complex multiple diffusion paths or having disordered structures.However,it relies on simulations at temperatures much higher than working temperature.This paper studies the reliability of the MD method using the system of Na diffusion in MgO as a benchmark.We carefully study the convergence behavior of the MD method and demonstrate that total effective simulation time of 12 ns can converge the calculated diffusion barrier to about 0.01 eV.The calculated diffusion barrier is 0.31 eV from both methods.The diffusion coefficients at room temperature are 4.3×10^(-9) cm^(2)⋅s^(−1) and 2.2×10^(-9) cm^(2)⋅s^(−1),respectively,from the NEB and MD methods.Our results justify the reliability of the MD method,even though high temperature simulations have to be employed to overcome the limitation on simulation time.展开更多
Defective layered Mn-based materials were synthesized by Li/Na ion exchange to improve their electrochemical activity and Coulombic efficiency.The annealing temperature of the Na precursors was important to control th...Defective layered Mn-based materials were synthesized by Li/Na ion exchange to improve their electrochemical activity and Coulombic efficiency.The annealing temperature of the Na precursors was important to control the P3-P2 phase transition,which directly affected the structure and electrochemical characteristics of the final products obtained by ion exchange.The O3-Li_(0.78)[Li_(0.25)Fe_(0.075)Mn_(0.675)]O_(δ) cathode made from a P3-type precursor calcined at 700℃ was analyzed using X-ray photoelectron spectrometry and electron paramagnetic resonance.The results showed that the presence of abundant trivalent manganese and defects resulted in a discharge capacity of 230 mAh/g with an initial Coulombic efficiency of about 109%.Afterward,galvanostatic intermittent titration was performed to examine the Li^(+) ion diffusion coefficients,which affected the reversible capacity.First principles calculations suggested that the charge redistribution induced by oxygen vacancies(OV_(s))greatly affected the local Mn coordination environment and enhanced the structural activity.Moreover,the Li-deficient cathode was a perfect match for the pre-lithiation anode,providing a novel approach to improve the initial Coulombic efficiency and activity of Mn-based materials in the commercial application.展开更多
Metal–metal battery bears great potential for next-generation large-scale energy storage system because of its simple manufacture process and low production cost.However,the cross-over of metal cations from the catho...Metal–metal battery bears great potential for next-generation large-scale energy storage system because of its simple manufacture process and low production cost.However,the cross-over of metal cations from the cathode to the anode causes a loss in capacity and influences battery stability.Herein,a coating of poly(ionic liquid)(PIL)with poly(diallyldimethylammonium bis(trifluoromethanesulfonyl)imide)(PDADMA^(+)TFSI^(−))on a commercial polypropylene(PP)separator serves as an anion exchange membrane for a 3.3 V copper–lithium battery.The PIL has a positively charged polymer backbone that can block the migration of copper ions,thus improving Coulombic efficiency,long-term cycling stability and inhibiting self-discharge of the battery.It can also facilitate the conduction of anions through the membrane and reduce polarization,especially for fast charging/discharging.Bruce-Vincent method gives the transport number in the electrolyte to be 0.25 and 0.04 for PP separator without and with PIL coating,respectively.This suggests that the PIL layer reduces the contribution of the internal current due to cation transport.The use of PIL as a coating layer for commercial PP separator is a cost-effective way to improve overall electrochemical performance of copper–lithium batteries.Compared to PP and polyacrylic acid(PAA)/PP separators,the PIL/PP membrane raises the Coulombic efficiency to 99%and decreases the average discharge voltage drop to about 0.09 V when the current density is increased from 0.1 to 1 mA cm^(−2).展开更多
The alkylation mechanism catalyzed by an ionic liquid (as a Lewis acid) may be different from the traditional alkylation mechanism catalyzed by Br nsted acid,especially as their initiation steps are still not clear....The alkylation mechanism catalyzed by an ionic liquid (as a Lewis acid) may be different from the traditional alkylation mechanism catalyzed by Br nsted acid,especially as their initiation steps are still not clear.In this paper,an isotope exchange method is used to investigate the catalytic mechanism of AlCl 3 /butyl-methyl-imidazolium chloride ionic liquid in the alkylation of benzene with 1-dodecene.The proposed catalytic mechanism was confirmed by analysis of ionic liquid before and after reaction and of the alkylation products of deuterated benzene (C 6 D 6) with 1-dodecene.The proposed mechanism consists of the equilibrium reaction between [Al 2 Cl 7 ] +H + and [AlHCl 3 ] + +[AlCl 4 ],in which the Br nsted acid [AlHCl 3 ] + is supplied by the reaction of 2-H on the imidazolium ring and [Al 2 Cl 7 ].The alkylation reaction is initiated by the Br nsted acid [AlHCl 3 ] + which reacts with 1-dodecene to form a carbonium ion,then the carbonium ion reacts with benzene to form an unstable σ complex,leading to the formation of 2-phenyldodecane.展开更多
Artificial molecular chaperone (AMC) and ion exchange chromatography (IEC) were integrated, thus a new refolding method, artificial molecular chaperone-ion exchange chromatography (AMC-IEC) was developed. Compar...Artificial molecular chaperone (AMC) and ion exchange chromatography (IEC) were integrated, thus a new refolding method, artificial molecular chaperone-ion exchange chromatography (AMC-IEC) was developed. Compared with AMC and IEC, the activity recovery of lysozyme obtained by AMC-IEC was much higher in the investigated range of initial protein concentrations, and the results show that AMC-IEC is very efficient for protein refolding at high concentrations. When the initial concentration of lysozyme is 180 mg/mL, its activity recovery obtained by AMC-IEC is still as high as 76.6%, while the activity recoveries obtained by AMC and IEC are 45.6% and 42.4%, respectively.展开更多
Raffinate copper leach solution of the Iran Sarcheshmeh copper complex has up to 3 mg/L scandium(Sc),which is significantly better than many existing sources,making it a possible source for the recovery of Sc using th...Raffinate copper leach solution of the Iran Sarcheshmeh copper complex has up to 3 mg/L scandium(Sc),which is significantly better than many existing sources,making it a possible source for the recovery of Sc using the ion exchange method.Visual Minteq software was employed to ascertain the ionic species likely to be formed under operational conditions in the mine and for selecting the suitable ion exchange resin.The cationic resin thus chosen was employed statically with ions-bearing synthesized solutions and statically/dynamically for actual copper mining raffinate solution.Room temperature and pH of 1.5 showed the highest Sc adsorption.The dynamic tests established the full saturation of the resin at 450 BV of the raffinate solution flow.Using sodium carbonate for elution,desorption of Sc,Y and Ce from the resin during static elution tests at constant duration was higher than that of Fe,Al and Cu.The results from the dynamic tests followed similar trends for the priority and the extent of the elution process.Desorption results from specimens of dynamic tests show a 60:1 concentration ratio leading to a 186 mg/L Sc-rich solution.展开更多
In the production process of titanium dioxide with sulfuric acid, the contamination of the titanium sulfate solution (the ilmenite leaching solution) in the Fe 3+ reduction stage by iron scraps is a practical problem ...In the production process of titanium dioxide with sulfuric acid, the contamination of the titanium sulfate solution (the ilmenite leaching solution) in the Fe 3+ reduction stage by iron scraps is a practical problem because it is difficult to guarantee the quality of the iron scraps. In this research, a new method, called the ion exchange membrane primary cell method, for reduction of Fe 3+ in the titanium sulfate solution has been advanced. The positive compartment of the primary cell consists of lead (copper) electrode and the titanium sulfate solution, and the negative compartment consists of iron electrode and acidic FeSO 4 solution. The anion ion exchange membrane is used as the diaphragm between two compartments. Fe 3+ in the titanium sulfate solution is reduced by the electric discharge of the primary cell. The effects of temperature, stirring strength of the solution and membrane area on the reduction rate have been investigated. The experimental result shows that the optimum current density can be higher than 100 A/m 2.展开更多
The tube inside and outside heat transfer mechanism of Passive Residual Heat Removal Heat Exchanger (PRHR HX) was analyzed. The calculation method of this special heat exchanger under natural convection condition in I...The tube inside and outside heat transfer mechanism of Passive Residual Heat Removal Heat Exchanger (PRHR HX) was analyzed. The calculation method of this special heat exchanger under natural convection condition in In-containment Refueling Water Storage Tank (IRWST) was carried out. The single-tube coupling model three-dimensional natural circulation in the IRWST was simulated numerically using Fluent. The heat transfer and flow characteristics of the fluid in IRWST were obtained. The comparison of the results between theoretical arithmetic and numerical simulation showed that the theoretical calculation method is suitable for the heat transfer calculation of PRHR HX.展开更多
In this paper the self-regeneration process of the mixed resins consisting of cationand anion ion exchangers in the electrolialyser of the packed bed is analyzed and anelectric regeneration method is put forward to su...In this paper the self-regeneration process of the mixed resins consisting of cationand anion ion exchangers in the electrolialyser of the packed bed is analyzed and anelectric regeneration method is put forward to supply the desalinated water by mixedbed The electric regeneration technology is a new one used for regeneration of theexhausted ion exchangers in the mixed bed instead of the traditional regeneratingprocess by using acid and abc liquor Electric energy is consumed to regenerat theion exchangers loaded by salts from water treatment without any chemicals- acid alkali. The advantage of the electric regeneration process edibited convenientoperation, no discharge any waste, and therefore no Polluted to the recehang waterbode and the environmental ground展开更多
1 INTRODUCTIONKnowledge of the basic transport phenomena of ions in an ion exchange membrane isimportant for the application of such a membrane.Various studies on the developmentof mathematical models for predicting a...1 INTRODUCTIONKnowledge of the basic transport phenomena of ions in an ion exchange membrane isimportant for the application of such a membrane.Various studies on the developmentof mathematical models for predicting and correlating membrane transport rate havebeen published in recent years.More exact estimation of the diffusion coefficientshas been the subject of chief concern in many of these papers.For a bi-ionic systemwith the same valence,Sato et al.gave a method for estimating diffusion coefficients展开更多
A novel pulse 18O-16O isotopic exchange (PIE) technique for measurement of the rate of oxygen surface exchange of oxide ion conductors was presented. The technique employs a continuous flow packed-bed micro-reactor lo...A novel pulse 18O-16O isotopic exchange (PIE) technique for measurement of the rate of oxygen surface exchange of oxide ion conductors was presented. The technique employs a continuous flow packed-bed micro-reactor loaded with the oxide powder. The isothermal response to an 18O-enriched pulse passing through the reactor, thereby maintaining chemical equilibrium, is measured by on-line mass spectrometry. Evaluation of the apparent exchange rate follows from the uptake of 18O by the oxide at given reactor residence time and surface area available for exchange. The developed PIE technique is rapid, simple and highly suitable for screening and systematic studies. No rapid heating/quenching steps are required to facilitate 18O tracer anneal or analysis, as in other commonly used techniques based upon oxygen isotopic exchange. Moreover, the relative distribution of the oxygen isotopologues 18O2, 16O18O, and 16O2 in the effluent pulse provides insight into the mechanism of the oxygen exchange reaction. The PIE technique has been demonstrated by measuring the exchange rate of selected oxides with enhanced oxide ionic conductivity in the range of 350?900 oC. Analysis of the experimental data in terms of a model with two consecutive, lumped steps for the isotopic exchange reaction shows that for mixed conductors Ba0.5Sr0.5Co0.8Fe0.2O3-δ(BSCF) and La2NiO4+δ the reaction is limited by the apparent rate of dissociative adsorption of O2 molecules at the oxide surface. For yttria-stabilized zirconia (YSZ), a change-over takes place, from rate-limitations by oxygen incorporation below ∽800 oC to rate-limitations by O2 dissociative adsorption above this temperature. Good agreement is obtained with exchange rates reported for these materials in literature.展开更多
Using the inversion of the auto correlation function Toeplitz matrix of pseudo random binary sequence (PRBS) derived in this paper and the theorem of partitioned matrix inversion, a fast multistage least squares (FM...Using the inversion of the auto correlation function Toeplitz matrix of pseudo random binary sequence (PRBS) derived in this paper and the theorem of partitioned matrix inversion, a fast multistage least squares (FMLS) method is developed. Its performances are theoretically analyzed and digital simulation is made to compare FMLS with multistage least squares (MSLS), correlation least squares(COR LS) and LS for their computer speed and identification accuracy. Finally, FMLS is applied to identifying the heat excharger dynamics. It is shown that FMLS is a good and effective identification technique.展开更多
This work aims to establish comparisons between two models used for the performance of heat exchangers. The chosen system, in this case, consists of a heat exchanger used in automotive radiators flat finned tube type....This work aims to establish comparisons between two models used for the performance of heat exchangers. The chosen system, in this case, consists of a heat exchanger used in automotive radiators flat finned tube type. Water and ethylene glycol compound as base fluid and volume fractions of iron oxide nanoparticles (Fe<sub>3</sub>O<sub>4</sub>) are used as a refrigerant. The quantities determined in this work are the nanofluid exit temperature, the air exit temperature, the absolute error between the models for heat transfer rate, and Effectiveness. The quantities that constitute parameters, independent variables, are the airflow, represented by the Reynolds number, and the iron oxide volume fraction. Ethylene Glycol 50% compound has slightly better thermal performance than pure water and reduces the reactive effect of water on the environment, increasing the average life of the equipment. The absolute relative error between the models is less than 20% and presents maximum values with the increase of the nanoparticle volume fraction and growth in the Reynolds number for the air.展开更多
The adsorption characteristics of inosine from fermentation solution on anion exchange resin under the condition of different PH, resin type are investigated. Besides 3 the desorption conditions are studied under diff...The adsorption characteristics of inosine from fermentation solution on anion exchange resin under the condition of different PH, resin type are investigated. Besides 3 the desorption conditions are studied under different temperature.The adsorption and desorption mechanism are described to obtain the optimumtechnological condition of inosine extraction.展开更多
1 INTRODUCTIONRapid and precise methods to obtain the diffusion coefficients of counter-ions are im-portant for the characterization of ion exchange membranes.Many theoreticaldescriptions of ion transport in ion excha...1 INTRODUCTIONRapid and precise methods to obtain the diffusion coefficients of counter-ions are im-portant for the characterization of ion exchange membranes.Many theoreticaldescriptions of ion transport in ion exchange membranes have been developed by usingthe principles of irreversible thermodynamics,or the Nernst-Planck equations.Fick’s law can also be used for the description of the transport of ions with equaldiffusivity.However,for counter-ions of different diffusivities,Nerst-Planck展开更多
Based on the difference in tendency to polymerize between tungsten and molybdenum, a new method using D309 resin was propounded. The batch tests indicate that the optimum pH value and contact time for the separation a...Based on the difference in tendency to polymerize between tungsten and molybdenum, a new method using D309 resin was propounded. The batch tests indicate that the optimum pH value and contact time for the separation are 7.0 and 4 h respectively, the maxium separation factor of W and Mo is 9.29. And the experimental resules show that isothermal absorbing tungsten and molybdenum belongs to Langmuir model and Freundlich model respectively, and the absorbing kinetics for tungsten is controlled by intra-particle diffusion. With a solution containing 70 g/L WO3 and 28.97 g/L Mo, the effluent with a mass ratio of Mo to WO3 of 76 and the eluate with a mass ratio of WO3 to Mo of 53.33 are obtained after column test.展开更多
Aim To prepare the prolonged-released microspheres of mefformin hydrochloride. Methods Ion-exchange resin-drug mefformin hydrochloride complexes were prepared as core materials, and followed by coating using ethylcell...Aim To prepare the prolonged-released microspheres of mefformin hydrochloride. Methods Ion-exchange resin-drug mefformin hydrochloride complexes were prepared as core materials, and followed by coating using ethylcellulose (EC) by the emulsion solvent diffusion technique. The release rate of mefformin from the microcapsules was highly dependent on the encapsulating formulation, thus being used as an index for formulation screening. Orthogonal experiments were performed to optimize the coating formulation. Results The final chosen formulation for coating of mefformin microcapsules were as follows: ( 1 ) the ratio of EC (20cps) to EC (45cps) was 50:50; (2) the ratio of plasticizer to coating materials was 20% ;and (3) the ratio of resin-mefformin complexes to coating materials was 5 : 1. Conclusion The prolonged release microspheres of mefformin hydrochloride were successfully prepared.展开更多
基金Funded by National Natural Science Foundation of China(Nos.52172019 and 52072148)Shandong Provincial Youth Innovation Team Development Plan of Colleges and Universities(No.2022K1100)。
文摘In this work,the structure,viscosity and ion-exchange process of Na_(2)O-MgO-Al_(2)O_(3)-SiO_(2) glasses with different Al_(2)O_(3)/SiO_(2) molar ratios were investigated.The results showed that,with increasing Al_(2)O_(3)/SiO_(2) ratio,the simple structural units Q_(1) and Q_(2) transformed into highly aggregated structural units Q_(3) and Q_(4),indicating the increase of polymerization degree of glass network.Meanwhile,the coefficient of thermal expansion decreased from 9.23×10^(-6)℃^(-1) to 8.88×10^(-6)℃^(-1).The characteristic temperatures such as melting,forming,softening and glass transition temperatures increased with the increase of Al_(2)O_(3)/SiO_(2) ratio,while the glasses working temperature range became narrow.The increasing Al_(2)O_(3)/SiO_(2) ratio and prolonging ion-exchange time enhanced the surface compressive stress(CS)and depth of stress layer(DOL).However,the increase of ion exchange temperature increased the DOL and decreased the CS affected by stress relaxation.There was a good linear relationship between stress relaxation and surface compressive stress.Chemical strengthening significantly improved the hardness of glasses,which reached the maximum value of(622.1±10)MPa for sample with Al_(2)O_(3)/SiO_(2) ratio of 0.27 after heat treated at 410℃for 2 h.
基金supported by the National Key R&D Program of China(No.2022YFE03090000)National Natural Science Foundation of China(No.11975068).
文摘The neutral beam injection is widely adopted in tokamaks as a key heating tool,playing a crucial role in generating burning plasmas.However,the loss of beam ions can damage the first wall and reduce the heating efficiency,resulting in failure to maintain steady-state conditions.In this work,the effect of neutral particles in the edge on fast ions generated by NBI in the Experimental Advanced Superconducting Tokamak(EAST)device is studied using the particle tracer code(PTC).The poloidal distribution of neutral particles is calculated by edge plasma simulation code SOLPS-ITER.In this simulation,four beam lines in EAST are considered:co-current tangential(co-tang),co-current perpendicular(co-perp),counter-current tangential(ctr-tang)and counter-current perpendicular(ctr-perp).It is shown that,in the absence of neutral particles,the loss fraction of ctr-injection is considerably higher than that of the co-injection.When considering the neutral particles,it is found that the ctr-perp injection demonstrates a significant variation in particles loss fraction(ranging from 18.56%to 25.42%)compared to the other three injection configurations.In terms of the loss fraction induced by neutral particles,ctr-injection exceeds co-injection,and perpendicular configuration exceeds tangential configuration.Furthermore,the difference of charge exchange ratios of three different energy(full energy,half energy,one third energy)of the four injections can be attributed to variations in the poloidal trajectories associated with each of these injections.Moreover,approximately half of fast ions which undergo neutralization directly lose to the first wall while the rest re-enter the bulk plasma and re-ionize.Except for the ctr-tang injection,the reionization ions from the other three injections exhibit effective confinement.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFA0402400)the National Natural Science Foundation of China(Grant Nos.11974358 and 11934004)+1 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB34020000)the Heavy Ion Research Facility in Lanzhou(HIRFL).
文摘The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations.In the present work,using the cold target recoil ion momentum spectroscopy,for the first time we investigated the state-selective single electron capture processes for S^(q+)–He and H_(2)(q=11–15)collision systems at an impact energy of q×20 keV and obtained the relative state-selective cross sections.The results indicate that only a few principal quantum states of the projectile energy level are populated in a single electron capture process.In particular,the increase of the projectile charge state leads to the population of the states with higher principal quantum numbers.It is also shown that the experimental averaged n-shell populations are reproduced well by the over-barrier model.The database is openly available in Science Data Bank at 10.57760/sciencedb.j00113.00091.
基金supported by the National Natural Science Foundation of China (Grant Nos.12164019,11991060,12088101,and U1930402)the Natural Science Foundation of Jiangxi Province of China (Grant No.20212BAB201017).
文摘Considerable efforts are being made to transition current lithium-ion and sodium-ion batteries towards the use of solid-state electrolytes.Computational methods,specifically nudged elastic band(NEB)and molecular dynamics(MD)methods,provide powerful tools for the design of solid-state electrolytes.The MD method is usually the choice for studying the materials involving complex multiple diffusion paths or having disordered structures.However,it relies on simulations at temperatures much higher than working temperature.This paper studies the reliability of the MD method using the system of Na diffusion in MgO as a benchmark.We carefully study the convergence behavior of the MD method and demonstrate that total effective simulation time of 12 ns can converge the calculated diffusion barrier to about 0.01 eV.The calculated diffusion barrier is 0.31 eV from both methods.The diffusion coefficients at room temperature are 4.3×10^(-9) cm^(2)⋅s^(−1) and 2.2×10^(-9) cm^(2)⋅s^(−1),respectively,from the NEB and MD methods.Our results justify the reliability of the MD method,even though high temperature simulations have to be employed to overcome the limitation on simulation time.
基金The Beijing Municipal Education Commission(KZ201910005003)supported this work。
文摘Defective layered Mn-based materials were synthesized by Li/Na ion exchange to improve their electrochemical activity and Coulombic efficiency.The annealing temperature of the Na precursors was important to control the P3-P2 phase transition,which directly affected the structure and electrochemical characteristics of the final products obtained by ion exchange.The O3-Li_(0.78)[Li_(0.25)Fe_(0.075)Mn_(0.675)]O_(δ) cathode made from a P3-type precursor calcined at 700℃ was analyzed using X-ray photoelectron spectrometry and electron paramagnetic resonance.The results showed that the presence of abundant trivalent manganese and defects resulted in a discharge capacity of 230 mAh/g with an initial Coulombic efficiency of about 109%.Afterward,galvanostatic intermittent titration was performed to examine the Li^(+) ion diffusion coefficients,which affected the reversible capacity.First principles calculations suggested that the charge redistribution induced by oxygen vacancies(OV_(s))greatly affected the local Mn coordination environment and enhanced the structural activity.Moreover,the Li-deficient cathode was a perfect match for the pre-lithiation anode,providing a novel approach to improve the initial Coulombic efficiency and activity of Mn-based materials in the commercial application.
基金supported by grant from the Research Grants Council(City U 11305220)of the Hong Kong Special Administrative Region,China
文摘Metal–metal battery bears great potential for next-generation large-scale energy storage system because of its simple manufacture process and low production cost.However,the cross-over of metal cations from the cathode to the anode causes a loss in capacity and influences battery stability.Herein,a coating of poly(ionic liquid)(PIL)with poly(diallyldimethylammonium bis(trifluoromethanesulfonyl)imide)(PDADMA^(+)TFSI^(−))on a commercial polypropylene(PP)separator serves as an anion exchange membrane for a 3.3 V copper–lithium battery.The PIL has a positively charged polymer backbone that can block the migration of copper ions,thus improving Coulombic efficiency,long-term cycling stability and inhibiting self-discharge of the battery.It can also facilitate the conduction of anions through the membrane and reduce polarization,especially for fast charging/discharging.Bruce-Vincent method gives the transport number in the electrolyte to be 0.25 and 0.04 for PP separator without and with PIL coating,respectively.This suggests that the PIL layer reduces the contribution of the internal current due to cation transport.The use of PIL as a coating layer for commercial PP separator is a cost-effective way to improve overall electrochemical performance of copper–lithium batteries.Compared to PP and polyacrylic acid(PAA)/PP separators,the PIL/PP membrane raises the Coulombic efficiency to 99%and decreases the average discharge voltage drop to about 0.09 V when the current density is increased from 0.1 to 1 mA cm^(−2).
基金financial support from the National Natural Science Foundation of China (NSFC,2052010)
文摘The alkylation mechanism catalyzed by an ionic liquid (as a Lewis acid) may be different from the traditional alkylation mechanism catalyzed by Br nsted acid,especially as their initiation steps are still not clear.In this paper,an isotope exchange method is used to investigate the catalytic mechanism of AlCl 3 /butyl-methyl-imidazolium chloride ionic liquid in the alkylation of benzene with 1-dodecene.The proposed catalytic mechanism was confirmed by analysis of ionic liquid before and after reaction and of the alkylation products of deuterated benzene (C 6 D 6) with 1-dodecene.The proposed mechanism consists of the equilibrium reaction between [Al 2 Cl 7 ] +H + and [AlHCl 3 ] + +[AlCl 4 ],in which the Br nsted acid [AlHCl 3 ] + is supplied by the reaction of 2-H on the imidazolium ring and [Al 2 Cl 7 ].The alkylation reaction is initiated by the Br nsted acid [AlHCl 3 ] + which reacts with 1-dodecene to form a carbonium ion,then the carbonium ion reacts with benzene to form an unstable σ complex,leading to the formation of 2-phenyldodecane.
基金the National Natural Science Foundation in China(No.20705028)the Foundation of Key Laboratory of Modem Separation Science in Shaanxi Province(No.05JS61).
文摘Artificial molecular chaperone (AMC) and ion exchange chromatography (IEC) were integrated, thus a new refolding method, artificial molecular chaperone-ion exchange chromatography (AMC-IEC) was developed. Compared with AMC and IEC, the activity recovery of lysozyme obtained by AMC-IEC was much higher in the investigated range of initial protein concentrations, and the results show that AMC-IEC is very efficient for protein refolding at high concentrations. When the initial concentration of lysozyme is 180 mg/mL, its activity recovery obtained by AMC-IEC is still as high as 76.6%, while the activity recoveries obtained by AMC and IEC are 45.6% and 42.4%, respectively.
文摘Raffinate copper leach solution of the Iran Sarcheshmeh copper complex has up to 3 mg/L scandium(Sc),which is significantly better than many existing sources,making it a possible source for the recovery of Sc using the ion exchange method.Visual Minteq software was employed to ascertain the ionic species likely to be formed under operational conditions in the mine and for selecting the suitable ion exchange resin.The cationic resin thus chosen was employed statically with ions-bearing synthesized solutions and statically/dynamically for actual copper mining raffinate solution.Room temperature and pH of 1.5 showed the highest Sc adsorption.The dynamic tests established the full saturation of the resin at 450 BV of the raffinate solution flow.Using sodium carbonate for elution,desorption of Sc,Y and Ce from the resin during static elution tests at constant duration was higher than that of Fe,Al and Cu.The results from the dynamic tests followed similar trends for the priority and the extent of the elution process.Desorption results from specimens of dynamic tests show a 60:1 concentration ratio leading to a 186 mg/L Sc-rich solution.
文摘In the production process of titanium dioxide with sulfuric acid, the contamination of the titanium sulfate solution (the ilmenite leaching solution) in the Fe 3+ reduction stage by iron scraps is a practical problem because it is difficult to guarantee the quality of the iron scraps. In this research, a new method, called the ion exchange membrane primary cell method, for reduction of Fe 3+ in the titanium sulfate solution has been advanced. The positive compartment of the primary cell consists of lead (copper) electrode and the titanium sulfate solution, and the negative compartment consists of iron electrode and acidic FeSO 4 solution. The anion ion exchange membrane is used as the diaphragm between two compartments. Fe 3+ in the titanium sulfate solution is reduced by the electric discharge of the primary cell. The effects of temperature, stirring strength of the solution and membrane area on the reduction rate have been investigated. The experimental result shows that the optimum current density can be higher than 100 A/m 2.
文摘The tube inside and outside heat transfer mechanism of Passive Residual Heat Removal Heat Exchanger (PRHR HX) was analyzed. The calculation method of this special heat exchanger under natural convection condition in In-containment Refueling Water Storage Tank (IRWST) was carried out. The single-tube coupling model three-dimensional natural circulation in the IRWST was simulated numerically using Fluent. The heat transfer and flow characteristics of the fluid in IRWST were obtained. The comparison of the results between theoretical arithmetic and numerical simulation showed that the theoretical calculation method is suitable for the heat transfer calculation of PRHR HX.
文摘In this paper the self-regeneration process of the mixed resins consisting of cationand anion ion exchangers in the electrolialyser of the packed bed is analyzed and anelectric regeneration method is put forward to supply the desalinated water by mixedbed The electric regeneration technology is a new one used for regeneration of theexhausted ion exchangers in the mixed bed instead of the traditional regeneratingprocess by using acid and abc liquor Electric energy is consumed to regenerat theion exchangers loaded by salts from water treatment without any chemicals- acid alkali. The advantage of the electric regeneration process edibited convenientoperation, no discharge any waste, and therefore no Polluted to the recehang waterbode and the environmental ground
基金Supported by the Post-doctoral Foundation of China
文摘1 INTRODUCTIONKnowledge of the basic transport phenomena of ions in an ion exchange membrane isimportant for the application of such a membrane.Various studies on the developmentof mathematical models for predicting and correlating membrane transport rate havebeen published in recent years.More exact estimation of the diffusion coefficientshas been the subject of chief concern in many of these papers.For a bi-ionic systemwith the same valence,Sato et al.gave a method for estimating diffusion coefficients
文摘A novel pulse 18O-16O isotopic exchange (PIE) technique for measurement of the rate of oxygen surface exchange of oxide ion conductors was presented. The technique employs a continuous flow packed-bed micro-reactor loaded with the oxide powder. The isothermal response to an 18O-enriched pulse passing through the reactor, thereby maintaining chemical equilibrium, is measured by on-line mass spectrometry. Evaluation of the apparent exchange rate follows from the uptake of 18O by the oxide at given reactor residence time and surface area available for exchange. The developed PIE technique is rapid, simple and highly suitable for screening and systematic studies. No rapid heating/quenching steps are required to facilitate 18O tracer anneal or analysis, as in other commonly used techniques based upon oxygen isotopic exchange. Moreover, the relative distribution of the oxygen isotopologues 18O2, 16O18O, and 16O2 in the effluent pulse provides insight into the mechanism of the oxygen exchange reaction. The PIE technique has been demonstrated by measuring the exchange rate of selected oxides with enhanced oxide ionic conductivity in the range of 350?900 oC. Analysis of the experimental data in terms of a model with two consecutive, lumped steps for the isotopic exchange reaction shows that for mixed conductors Ba0.5Sr0.5Co0.8Fe0.2O3-δ(BSCF) and La2NiO4+δ the reaction is limited by the apparent rate of dissociative adsorption of O2 molecules at the oxide surface. For yttria-stabilized zirconia (YSZ), a change-over takes place, from rate-limitations by oxygen incorporation below ∽800 oC to rate-limitations by O2 dissociative adsorption above this temperature. Good agreement is obtained with exchange rates reported for these materials in literature.
文摘Using the inversion of the auto correlation function Toeplitz matrix of pseudo random binary sequence (PRBS) derived in this paper and the theorem of partitioned matrix inversion, a fast multistage least squares (FMLS) method is developed. Its performances are theoretically analyzed and digital simulation is made to compare FMLS with multistage least squares (MSLS), correlation least squares(COR LS) and LS for their computer speed and identification accuracy. Finally, FMLS is applied to identifying the heat excharger dynamics. It is shown that FMLS is a good and effective identification technique.
文摘This work aims to establish comparisons between two models used for the performance of heat exchangers. The chosen system, in this case, consists of a heat exchanger used in automotive radiators flat finned tube type. Water and ethylene glycol compound as base fluid and volume fractions of iron oxide nanoparticles (Fe<sub>3</sub>O<sub>4</sub>) are used as a refrigerant. The quantities determined in this work are the nanofluid exit temperature, the air exit temperature, the absolute error between the models for heat transfer rate, and Effectiveness. The quantities that constitute parameters, independent variables, are the airflow, represented by the Reynolds number, and the iron oxide volume fraction. Ethylene Glycol 50% compound has slightly better thermal performance than pure water and reduces the reactive effect of water on the environment, increasing the average life of the equipment. The absolute relative error between the models is less than 20% and presents maximum values with the increase of the nanoparticle volume fraction and growth in the Reynolds number for the air.
文摘The adsorption characteristics of inosine from fermentation solution on anion exchange resin under the condition of different PH, resin type are investigated. Besides 3 the desorption conditions are studied under different temperature.The adsorption and desorption mechanism are described to obtain the optimumtechnological condition of inosine extraction.
基金Supported by a grant from Chinese Pastdoctoral Foundation
文摘1 INTRODUCTIONRapid and precise methods to obtain the diffusion coefficients of counter-ions are im-portant for the characterization of ion exchange membranes.Many theoreticaldescriptions of ion transport in ion exchange membranes have been developed by usingthe principles of irreversible thermodynamics,or the Nernst-Planck equations.Fick’s law can also be used for the description of the transport of ions with equaldiffusivity.However,for counter-ions of different diffusivities,Nerst-Planck
基金Project(51174232)supported by the National Natural Science Foundation of China
文摘Based on the difference in tendency to polymerize between tungsten and molybdenum, a new method using D309 resin was propounded. The batch tests indicate that the optimum pH value and contact time for the separation are 7.0 and 4 h respectively, the maxium separation factor of W and Mo is 9.29. And the experimental resules show that isothermal absorbing tungsten and molybdenum belongs to Langmuir model and Freundlich model respectively, and the absorbing kinetics for tungsten is controlled by intra-particle diffusion. With a solution containing 70 g/L WO3 and 28.97 g/L Mo, the effluent with a mass ratio of Mo to WO3 of 76 and the eluate with a mass ratio of WO3 to Mo of 53.33 are obtained after column test.
文摘Aim To prepare the prolonged-released microspheres of mefformin hydrochloride. Methods Ion-exchange resin-drug mefformin hydrochloride complexes were prepared as core materials, and followed by coating using ethylcellulose (EC) by the emulsion solvent diffusion technique. The release rate of mefformin from the microcapsules was highly dependent on the encapsulating formulation, thus being used as an index for formulation screening. Orthogonal experiments were performed to optimize the coating formulation. Results The final chosen formulation for coating of mefformin microcapsules were as follows: ( 1 ) the ratio of EC (20cps) to EC (45cps) was 50:50; (2) the ratio of plasticizer to coating materials was 20% ;and (3) the ratio of resin-mefformin complexes to coating materials was 5 : 1. Conclusion The prolonged release microspheres of mefformin hydrochloride were successfully prepared.