The adsorption dynamics for phenol in aqueous solution of the adsorbent based on polystyrene was studied. In order to distinguish with the Boyd quasi-homogeneous model of the inner structure of ion-exchanger, the part...The adsorption dynamics for phenol in aqueous solution of the adsorbent based on polystyrene was studied. In order to distinguish with the Boyd quasi-homogeneous model of the inner structure of ion-exchanger, the particle diffusion model including surface diffusion model and pore diffusion model was suggested which is suitable to the macroporous adsorbent. The diffusiondetermination step of the adsorption process was established and the effective diffusion coefficient was also determined. The influence of surface diffusion and pore diffusion on the particle diffusion rate was investigated qualitatively. All of these were very important to improve the structure of the macroporous adsorbent in order to improve the mass-transfer rate.展开更多
The great challenges are remained in constructing graphite-based anode with well built-in structures to accelerate kinetics and enhance stability in the advanced K-ion batteries(KIBs).Here,we firstly report the design...The great challenges are remained in constructing graphite-based anode with well built-in structures to accelerate kinetics and enhance stability in the advanced K-ion batteries(KIBs).Here,we firstly report the design of expanded graphite cohered by N,B bridge-doping carbon patches(NBEG)for efficient K-ion adsorption/diffusion and long-term durability.It is the B co-doping that plays a crucial role in maximizing doping-site utilization of N atoms,balancing the adsorption-diffusion kinetics,and promoting the charge transfer between NBEG and K ions.Especially,the robust lamellar structure,suitable interlayer distance,and rich active sites of the designed NBEG favor the rapid ion/electron transfer pathways and high K-ion storage capacity.Consequently,even at a low N,B doping concentration(4.36 at%,2.07 at%),NBEG anode shows prominent electrochemical performance for KIBs,surpassing most of the advanced carbon-based anodes.Kinetic studies,density functional theory simulations,and in-situ Raman spectroscopy are further performed to reveal the K-ion storage mechanism and confirm the critical actions of co-doping B.This work offers the new methods for graphite-electrode design and the deeper insights into their energy storage mechanisms in KIBs.展开更多
Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.0...Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.041 m id,packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model,breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover,the anisotropic turbulent mass diffusion is characterized and discussed.展开更多
Lithium metal anode has been demonstrated as the most promising anode for lithium batteries because of its high theoretical capacity,but infinite volume change and dendritic growth during Li electrodeposition have pre...Lithium metal anode has been demonstrated as the most promising anode for lithium batteries because of its high theoretical capacity,but infinite volume change and dendritic growth during Li electrodeposition have prevented its practical applications.Both physical morphology confinement and chemical adsorption/diffusion regulation are two crucial approaches to designing lithiophilic materials to alleviate dendrite of Li metal anode.However,their roles in suppressing dendrite growth for long-life Li anode are not fully understood yet.Herein,three different Ni-based nanosheet arrays(NiO-NS,Ni_(3)N-NS,and Ni_(5)P_(4)-NS)on carbon cloth as proof-of-concept lithiophilic frame-works are proposed for Li metal anodes.The two-dimensional nanoarray is more promising to facilitate uniform Li^(+)flow and electric field.Compared with the NiO-NS and the Ni_(5)P_(4)-NS,the Ni_(3)N-NS on carbon cloth after reacting with molten Li(Li-Ni/Li_(3)N-NS@CC)can afford the strongest adsorption to Li+and the most rapid Li+diffusion path.Therefore,the Li-Ni/Li_(3)N-NS@CC electrode realizes the lowest overpotential and the most excellent electrochemical performance(60 mA cm^(−2)and 60 mAh cm^(−2)for 1000 h).Furthermore,a remarkable full battery(LiFePO_(4)||Li-Ni/Li_(3)N-NS@CC)reaches 300 cycles at 2C.This research provides valuable insight into designing dendrite-free alkali metal batteries.展开更多
The adsorption and diffusion of N atoms on the three low-index Cu planes were studied using 5-parameter Morse potential (5-MP) method, and the best theory-experiment agreement was obtained. N atom of Cu(100) surface s...The adsorption and diffusion of N atoms on the three low-index Cu planes were studied using 5-parameter Morse potential (5-MP) method, and the best theory-experiment agreement was obtained. N atom of Cu(100) surface sit on the fourfold hollow site with the vertical height of 0.018 nm closely coplanar with the topmost copper layer, and the four CuN bond lengths are 0.182 nm and the fifth CuN distance is 0.199 nm. For Cu(111) system, the existence of aberrant Cu(100) reconstructed structure is approved at higher coverage, and at low coverage the structure is almost an ideal Cu(111) surface structure. With respect to Cu(110) system, the N atoms are adsorbed at LB and H3 sites, not at SB site. The diffusion passage and diffusion barrier of adsorbed N atoms were also studied.展开更多
We have introduced a 5-parameter Morse function to simulate the pairwise poten-tial and studied the adsorption and diffusion of hydrogen atoms on the Ni low indexsurfaces by pairwise method and satistying results were...We have introduced a 5-parameter Morse function to simulate the pairwise poten-tial and studied the adsorption and diffusion of hydrogen atoms on the Ni low indexsurfaces by pairwise method and satistying results were obtained. In this letter,we further investigate the properties of the adsorption and diffusion of hydrogen at-oms on the Ni (115) stepped surface by the same method and the optimumparameters.展开更多
Ordered mesoporous carbon(OMC) with high specific surface area and large pore volume was synthesized and tested for use as an adsorbent for volatile organic compound(VOC)disposal. Benzene, cyclohexane and hexane w...Ordered mesoporous carbon(OMC) with high specific surface area and large pore volume was synthesized and tested for use as an adsorbent for volatile organic compound(VOC)disposal. Benzene, cyclohexane and hexane were selected as typical adsorbates due to their different molecular sizes and extensive utilization in industrial processes. In spite of their structural differences, high adsorption amounts were achieved for all three adsorbates, as the pore size of OMC is large enough for the access of these VOCs. In addition, the unusual bimodal-like pore size distribution gives the adsorbates a higher diffusion rate compared with conventional adsorbents such as activated carbon and carbon molecular sieve. Kinetic analysis suggests that the adsorption barriers mainly originated from the difficulty of VOC vapor molecules entering the pore channels of adsorbents. Therefore, its superior adsorption ability toward VOCs, together with a high diffusion rate, makes the ordered mesoporous carbon a promising potential adsorbent for VOC disposal.展开更多
文摘The adsorption dynamics for phenol in aqueous solution of the adsorbent based on polystyrene was studied. In order to distinguish with the Boyd quasi-homogeneous model of the inner structure of ion-exchanger, the particle diffusion model including surface diffusion model and pore diffusion model was suggested which is suitable to the macroporous adsorbent. The diffusiondetermination step of the adsorption process was established and the effective diffusion coefficient was also determined. The influence of surface diffusion and pore diffusion on the particle diffusion rate was investigated qualitatively. All of these were very important to improve the structure of the macroporous adsorbent in order to improve the mass-transfer rate.
基金supported by the National Natural Science Foundation of China(21573059 and U1704251)the Overseas Expertise Introduction Project for Discipline Innovation(D17007)the Natural Science Foundation of Henan Province(212300410178)。
文摘The great challenges are remained in constructing graphite-based anode with well built-in structures to accelerate kinetics and enhance stability in the advanced K-ion batteries(KIBs).Here,we firstly report the design of expanded graphite cohered by N,B bridge-doping carbon patches(NBEG)for efficient K-ion adsorption/diffusion and long-term durability.It is the B co-doping that plays a crucial role in maximizing doping-site utilization of N atoms,balancing the adsorption-diffusion kinetics,and promoting the charge transfer between NBEG and K ions.Especially,the robust lamellar structure,suitable interlayer distance,and rich active sites of the designed NBEG favor the rapid ion/electron transfer pathways and high K-ion storage capacity.Consequently,even at a low N,B doping concentration(4.36 at%,2.07 at%),NBEG anode shows prominent electrochemical performance for KIBs,surpassing most of the advanced carbon-based anodes.Kinetic studies,density functional theory simulations,and in-situ Raman spectroscopy are further performed to reveal the K-ion storage mechanism and confirm the critical actions of co-doping B.This work offers the new methods for graphite-electrode design and the deeper insights into their energy storage mechanisms in KIBs.
基金Supported by the National Natural Science Foundation of China(21376163)
文摘Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.041 m id,packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model,breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover,the anisotropic turbulent mass diffusion is characterized and discussed.
基金supported by the National Key R&D Research Program of China the National Key Research Program(No.2018YFB0905400)the National Natural Science Foundation of China(Nos.51925207,U1910210,51872277,52002083,52102322 and 22109011)+5 种基金National Synchrotron Radiation Laboratory(KY2060000173)the“Transformational Technologies for Clean Energy and Demonstration”Strategic Priority Research Program of Chinese Academy of Sciences(Grant No.XDA21000000)the Fundamental Research Funds for the Central Universities(Wk2060140026,Wk2400000004,Wk20720220010)the Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy(Grant.YLU-DNL Fund 2021002)the National Postdoctoral Program for Innovative Talents(BX20200047)the China Postdoctoral Science Foundation(2021M690380).
文摘Lithium metal anode has been demonstrated as the most promising anode for lithium batteries because of its high theoretical capacity,but infinite volume change and dendritic growth during Li electrodeposition have prevented its practical applications.Both physical morphology confinement and chemical adsorption/diffusion regulation are two crucial approaches to designing lithiophilic materials to alleviate dendrite of Li metal anode.However,their roles in suppressing dendrite growth for long-life Li anode are not fully understood yet.Herein,three different Ni-based nanosheet arrays(NiO-NS,Ni_(3)N-NS,and Ni_(5)P_(4)-NS)on carbon cloth as proof-of-concept lithiophilic frame-works are proposed for Li metal anodes.The two-dimensional nanoarray is more promising to facilitate uniform Li^(+)flow and electric field.Compared with the NiO-NS and the Ni_(5)P_(4)-NS,the Ni_(3)N-NS on carbon cloth after reacting with molten Li(Li-Ni/Li_(3)N-NS@CC)can afford the strongest adsorption to Li+and the most rapid Li+diffusion path.Therefore,the Li-Ni/Li_(3)N-NS@CC electrode realizes the lowest overpotential and the most excellent electrochemical performance(60 mA cm^(−2)and 60 mAh cm^(−2)for 1000 h).Furthermore,a remarkable full battery(LiFePO_(4)||Li-Ni/Li_(3)N-NS@CC)reaches 300 cycles at 2C.This research provides valuable insight into designing dendrite-free alkali metal batteries.
基金Project supported by the Community of Shandong Natural Science Foundation (No. Y2002B09).
文摘The adsorption and diffusion of N atoms on the three low-index Cu planes were studied using 5-parameter Morse potential (5-MP) method, and the best theory-experiment agreement was obtained. N atom of Cu(100) surface sit on the fourfold hollow site with the vertical height of 0.018 nm closely coplanar with the topmost copper layer, and the four CuN bond lengths are 0.182 nm and the fifth CuN distance is 0.199 nm. For Cu(111) system, the existence of aberrant Cu(100) reconstructed structure is approved at higher coverage, and at low coverage the structure is almost an ideal Cu(111) surface structure. With respect to Cu(110) system, the N atoms are adsorbed at LB and H3 sites, not at SB site. The diffusion passage and diffusion barrier of adsorbed N atoms were also studied.
文摘We have introduced a 5-parameter Morse function to simulate the pairwise poten-tial and studied the adsorption and diffusion of hydrogen atoms on the Ni low indexsurfaces by pairwise method and satistying results were obtained. In this letter,we further investigate the properties of the adsorption and diffusion of hydrogen at-oms on the Ni (115) stepped surface by the same method and the optimumparameters.
基金the State Key program of National Natural Science Foundation (No. 21337003)the Strategic Priority Research Program (No. XDB05050200)+2 种基金the National High Technology Research and Development Program of China (2012AA063101)the Special Environmental Protection Foundation for Public Welfare Project (No. 201309073)the Team Interaction and Cooperation of the Science and Technology Program of the Chinese Academy of Sciences
文摘Ordered mesoporous carbon(OMC) with high specific surface area and large pore volume was synthesized and tested for use as an adsorbent for volatile organic compound(VOC)disposal. Benzene, cyclohexane and hexane were selected as typical adsorbates due to their different molecular sizes and extensive utilization in industrial processes. In spite of their structural differences, high adsorption amounts were achieved for all three adsorbates, as the pore size of OMC is large enough for the access of these VOCs. In addition, the unusual bimodal-like pore size distribution gives the adsorbates a higher diffusion rate compared with conventional adsorbents such as activated carbon and carbon molecular sieve. Kinetic analysis suggests that the adsorption barriers mainly originated from the difficulty of VOC vapor molecules entering the pore channels of adsorbents. Therefore, its superior adsorption ability toward VOCs, together with a high diffusion rate, makes the ordered mesoporous carbon a promising potential adsorbent for VOC disposal.