CFD-DEM investigation into flow characteristics in mixed pulsed fluidized bed under electrostatic effects

Static electricity has an important effect on gas–solid fluidized bed reactor fluidization performance.In the process of fluidization,electrostatic interaction between particles will obviously accelerate particle agglomerate formation,which consequently reduces the fluidization performance.Pulsed gas flow injection is an efficient method to enhance particle mixing,thereby weakening the occurrence of particle agglomerate.In this study,the two-dimensional hybrid pulsed fluidized bed is established.The flow characteristics are studied by using the coupled CFD-DEM numerical simulation model considering electrostatic effects.Influences of different pulsed frequencies and gas flow ratios on fluidized bed fluidization performance are investigated to obtain the optimal pulsed gas flow condition.Results show that in the presence of static electricity,the bubble generation position is lower,which is conducive to the particle flow.Pulsed gas flow can increase the particle velocity and improve the diffusion ability.The bubble generation time is different at different frequencies,and the frequency of 2.5 Hz has the most obvious effect on the flow characteristics.Different gas flow ratios have significant impacts on the particle movement amplitude.When the pulse gas flow accounts for a large ratio,the particle agglomerate tends to be larger.Therefore,in order to improve the fluidization effect,the ratio of pulsed gas flow to stable gas flow should be appropriately reduced to 0.5 or less.

Modeling the electrostatic effect on the hydrodynamic behavior in FCC risers： From understanding to application

A CFD simulation was proposed to investigate the electrostatic effect on the hydrodynamic behavior of turbulent gas-solid flow in FCC risers. The simulation was first verified using the open experimental data with expected electrostatic effects observed in FCC risers. The influences of several operating parameters on the degree of electrification in FCC risers were analyzed, such as surface charge densities, pressure, gas velocity. It was noted that the gas velocity played a highly significant role compared with solid flux, while the effect of pressure was relatively weak. Further analysis showed that a much stronger electrostatic effect was found in small-scale FCC risers than their large-scale counterparts, and in addition, the major regions affected by the electrostatic charge depend on the scale of the riser. Finally, an external electric field was applied to optimize the flow field distribution in the FCC riser. The results of the electrostatic effects on the hydrodynamic behaviors in FCC risers are of great use in providing a reference for the optimization of FCC risers and their scaling.

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

Higher order rnultipole potentials and electrostatic screening effects are introduced to incorporate the dan gling bonds on the surface of a metallic nanopaticle and to modify the coulornb like potential energy terms, respectively. The total interaction energy function for any rnetallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole （DDD） and dipole-dipole-quadrupole （DDQ） terrns are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Effect of specifically-adsorbed polysulfides on the electron transfer kinetics of sodium metal anodes

Room-temperature sodium-sulfur(RT Na-S)batteries hold great promise for large-scale energy storage applications owing to the high energy density and earth-abundance of Na and S.However,the dissolution and migration of sodium polysulfides,uncontrollable Na dendrite growth,and the lack of studies on Na electrodeposition kinetics have hindered the development of these batteries.Herein,we reveal the mechanism of sodium polysulfides on the Na plating/stripping kinetics using a three-electrode system.First,the kinetic behavior deviates from the commonly supposed Butler-Volmer model,which is well described by the Marcus model.In addition,the specific adsorption of polysulfides on the sodium electrode surface is a key factor influencing the kinetics.Higher-order polysulfides(S_(8)^(2-)and S_(6)^(2-))exhibit distinct specific adsorption behaviors because of their high adsorption energies compared to lower-order polysulfides(S_(4)^(2-)and S_(2)^(2-)).The electrostatic effect caused by specific adsorption can accelerate the kinetics,whereas the blocking effect can slow the kinetics.Thus,this competitive relationship enables low concentrations of high-order polysulfides to stimulate kinetics.This implies that a weak shuttle effect is beneficial for obtaining a stable Na deposition in RT Na-S batteries.An in-depth understanding of the Na electrodeposition kinetics provides beneficial clues for future metal sodium/electrolyte interface designs.

CALCULATION AND EXPERIMENTAL INVESTIGATION OF ELECTRIC FIELDS INDUCED BY ELECTRODES IN ELECTROSTATIC CHARGED POWDER SPRAYING TECHNIQUE

Electric fields induced by ring and pin electrodes in electrostatic charged powder sprayingtechnique are analysed. The fundamental formulae to deseribe these fields have been built up. Theseformulae could be used to design electrostatic charged podwer spraying system. The chargingeffectiveness of ring and pin electrode is experimentally investigated and compared each other. Theperformance of ring electrode is better than that of pin electrode.

Flotation of kaolinite with dodecyl tertiary amines

The flotation of kaolinite using a series of tertiary amines （N,N-dimethyl-dodecyl amine （DRN）, N,N-diethyl-dodecyl amine （DEN）, N,N-dipropyl-dodecyl amine （DPN） and N,N-dibenzyl-bodecyl amine （DBN）） was investigated. The results show that the maximum recoveries of kaolinite for DEN, DPN and DRN are 93%, 88% and 84%, respectively, but that of DBN is very low. On the basis of zeta potential and FT-IR spectra, the ionization of surface hydroxyl and isomorphic exchange of surface ions account for the charging mechanisms of kaolinite surface. The adsorption mechanism of tertiary amines on kaolinite surface is mainly electrostatic. The isoelectric point （IEP） of kaolinite increases from 3.4 to some more positive points after the interaction of kaolinite with the four tertiary amines. The FT-IR spectra of kaolinite change with the presence of some new sharp shapes belonging to the tertiary amines. The inductive electronic effects and space-steric effects of -CH3, -C2H5, -C3H7 and -C7H7 bonding to N atom result in different collecting power of the four tertiary amines.

Improving the Surface Performance of Electrospun Air Filter Paper Using Multi-walled Carbon Nanotubes

In this study,air filter base paper(P)was used as the receiving substrate,polyvinyl alcohol(PVA)and PVA/multi-walled carbon nanotube(MWCNT)spinning solutions were used to prepare electrospun air filter papers(P-PVA and P-PVA/MWCNT,respectively).Then,P-PVA/MWCNT was calendered under different pressures.The effect of MWCNTs on the surface performance of P-PVA/MWCNT was explored and the influence of calendering technology on their structure and filtration characteristics was analyzed.Electron scanning microscope observation showed that the PVA nanofibers on the surface of P-PVA/MWCNT had no beading,and MWCNTs weakened the surface electrostatic phenomenon and had a good micromorphology.During the calendering process,with an increase in pressure,the mean pore size and surface roughness of P-PVA/MWCNT decreased,the initial resistance increased,and the filtration efficiency changed slightly.

Ab initio Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulation of CO in the Heme Distal Pocket of Myoglobin

Myoglobin has important biological functions in storing and transporting small diatomic molecules in human body. Two possible orientations of carbon monoxide （CO） in the heme distal pocket （named as BI and B2 states） of myoglobin have been experimentally indicated. In this study, ab initio quantum mechanics/molecular mechanics （QM/MM） molecular dynamics simulation of CO in myoglobin was carried out to investigate the two possible B states. Our results demonstrate that the B1 and B2 states correspond to Fe... CO （with carbon atom closer to iron center of heme） and Fe... OC （with oxygen atom closer to Fe）, by comparing with the experimental infrared spectrum. QM electrostatic polarization effect on CO brought from the protein and solvent environment is the main driving force, which anchors CO in two distinctive orientations and hinders its rotation. The calculated vibrational frequency shift between the state B1 and B2 is 13.1 cm-1, which is in good agreement with experimental value of 11.5 cm-1. This study also shows that the electric field produced by the solvent plays an important role in assisting protein functions by exerting directional electric field at the active site of the protein, From residue-based electric field decomposition, several residues were found to have most contributions to the total electric field at the CO center, including a few charged residues and three adjacent uncharged polar residues （namely, HIS64, ILE107, and PHE43）. This study provides new physical insights on rational design of enzyme with higher electric field at the active site.

Restraining growth of Zn dendrites by poly dimethyl diallyl ammonium cations in aqueous electrolytes

Metallic zinc is an excellent anode material for Zn-ion batteries,but the growth of Zn dendrite severely hinders its practical application.Herein,an efficient and economical cationic additive,poly dimethyl diallyl ammonium(PDDA) was reported,used in aqueous Zn-ion batteries electrolyte for stabilizing Zn anode.The growth of zinc dendrites can be significantly restrained by benefiting from the pronounced electrostatic shielding effect from PDDA on the Zn metal surface.Moreover,the PDDA is preferentially absorbed on Zn(002) plane,thus preventing unwanted side reactions on Zn anode.Owing to the introduction of a certain amount of PDDA additive into the common ZnSO_(4)-based electrolyte,the cycle life of assembled Zn‖Zn cells(1 mA·cm^(-2) and 1 mAh·cm^(-2)) is prolonged to more than 1100 h.In response to the perforation issue of Zn electrodes caused by PDDA additives,the problem can be solved by combining foamy copper with zinc foil.For real application,Zn-ion hybrid supercapacitors and MnO_(2)‖Zn cells were assembled,which exhibited excellent cycling stability with PDDA additives.This work provides a new solution and perspective to cope with the dendrite growth problem of Zn anode.

Mechanism of Li^(+)/Na^(+)separation by crown ether and butyrate acid root

Lithium is critical for economic growth since it is the primary component of batteries.Na^(+)is one of the main impurity ions in solution during the separation and enrichment of Li^(+).According to the size-matching effect between the cavities of crown ethers and Li+,crown ethers can selectively adsorb Li^(+).Herein,1,8-dihydroxyl-4,4,5,5-tetramethylbenzo-14-crown-4 was synthesized and used to extract lithium from a Li^(+)/Na^(+)mixed solution.Density functional theory(DFT)was used to explore the properties of complexes with M062X.The results show that the interactions between crown ethers and metal ions are due to electrostatic attraction.Hydroxyl functional groups can synergistically extract Li^(+)/Na^(+)from solutions with the oxygen atom in the crown ether ring.The stability of the complex is also enhanced by van der Waals interactions between the butyrate acid root and crown ether.1,8-dihydroxyl-4,4,5,5-tetramethylbenzo-14-crown-4 has a stronger interaction with lithium butyrate than with sodium butyrate for most conformations.The adsorption selectivity for Li+is proportional to the number of ether oxygen atoms that interact with Li^(+).The Li^(+)extraction efficiency increases from 3.93%to 20.93%in lithium hydroxide solution with the presence of butyrate acid root.When the butyrate acid root is added to the mixed Li^(+)/Na^(+)solution,the Li^(+)extraction efficiency increases from 6.54%to 31.20%,while the Li^(+)/Na^(+)separation coefficient decreases from33.25 to 1.32.

Dynamic dispersion stability of graphene oxide with metal ions

Graphene oxide(GO),an important chemical precursor of graphene,can stably disperse in aqueous surrounding and undergo aggregation as metal cations introduced.The usual instability of GO with ions is caused by the shielding effect of ions and crosslinking between GO and ions.However,the dynamic stability of GO under ions exchange still remains unclear.Here,we investigated the dynamic dispersion stability of GO with metal ions and observed a redispersion behavior in concentrated Fe3+solution,other than permanent aggregation.The exchange with Fe3+ions drives the reversion of zeta(ζ)potential and enables the redispersion to individual GO-Fe3+complex sheets,following a dynamic electric double layer(EDL)mechanism.It is found that the specifically strong electrostatic shielding effect and coordination attraction between Fe3+and functional oxygen groups allows the selective redispersion of GO in concentrated Fe3+solution.The revealed dynamic dispersion stability complements our understanding on the dispersive stability of GO and can be utilized to fabricate graphene-metal hybrids for rich applications.