The use of carbon-based particle electrodes in three-dimensional electrode reactors for wastewater treatment

The use of three-dimensional(3D)electrodes in water treatment is competitive because of their high catalytic efficiency,low energy consumption and promising development.The use of particle electrodes is a key research focus in this technology.They are usually in the form of particles that fill the space between the cathode and anode,and the selection of materials used is important.Carbon-based materials are widely used because of their large specific surface area,good adsorption performance,high chemical stability and low cost.The principles of 3D electrode technology are introduced and recent research on its use for degrading organic pollutants using carbon-based particle electrodes is summarized.The classification of particle electrodes is introduced and the challenges for the future development of carbon-based particle electrodes in wastewater treatment are discussed.

Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium batteries.However,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very lacking.Herein,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an example.An interface model was developed,incorporating the electrode potential and atom electronegativities.As a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic level.Specifically,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,respectively.Such preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+deposition.This CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

Three-dimensional acoustic propagation model for shallow waters based on an indirect boundary element method

This work has a two-fold purpose.On the one hand,the theoretical formulation of a three-dimensional(3D)acoustic propagation model for shallow waters with a constant sound speed is presented,based on the boundary element method(BEM),which uses a half-space Green function instead of the more conventional free-space Green function.On the other hand,a numerical implementation is illustrated to explore the formulation in simple idealized cases,controlled by a few parameters,which provides necessary tests for the accuracy and performance of the model.The half-space Green's function,which has been previously used in scattering and diffraction,adds terms to the usual expressions of the integral operators without altering their continuity properties.Verifications against the wavenumber integration solution of the Pekeris waveguide suggest that the model allows an adequate prediction for the acoustic field.Likewise,numerical experiments in relation to the necessary mesh size for the description of the water-marine sediment interface lead to the conclusion that a transmission loss prediction with acceptable accuracy can be obtained with the use of a limited mesh around the desired evaluation region.

Electro-enhanced adsorption of As(V)by activated carbon in three-dimensional electrode reactor

This study focused on As(V)removal by electrosorption in a self-made three-dimensional electrode reactor,in which granular activated carbon(GAC)was used as the particle electrode.Under the optimal conditions,the removal efficiency of As(V)was 84%,and its residual concentration in solution was 0.08 mg/L.From kinetic investigation,the rate determining steps of the entire process may involve more than two processes:membrane diffusion,material diffusion and physical/chemical adsorption processes.During the desorption process,As(V)can be desorbed from GAC,and the GAC was able to electro-adsorb As(V)again after desorption,which means that the electrode has good cycling performance.

Electrochemical degradation of acidified reed pulp black liquor with three-dimensional electrode reactor

The electrochemical degradation of reed pulp black liquor containing lignin pretreated by acidification method was investigated using a three-dimensional electrode reactor. Using activated carbon as particle electrode, the effects of p H value, reaction temperature, electrolysis time and current on residual concentration of total organic carbon(TOC) were discussed in detail. The optimal conditions were obtained: pH 2.5, influent flow rate of 200 mL/min, 25 °C, 300 mA and 2h of electrolysis time, and the removal efficiency of TOC maintains at 35.57 %. The results of the electrochemical method indicate that ·OH radicals are produced in activated carbon anode in the electrolysis process and then adsorbed on the activated carbon surface. Microcell consists of ·OH radicals and the absorbed lignin. With the microcell reaction, the lignin is degraded, while the anodic polarized curve illustrates that the lignin is obviously oxidized in the anode. The contributions of direct and indirect electrolyses to the TOC removal ratio are about 50%, respectively.

Electrochemical Degradation of o-Chloronitrobenzene by Three-dimensional Electrodes

Degradation of o-chloronitrobenzene wastewater was experimentally investigated at a three-dimensional electrode（TDE） with granular activated carbon as the particle electrode, graphite as the anode, and stainless steel plate as the cathode. The kinetic model of o-chloronitrobenzene degradation was studied, and the effects of pH, electrolysis time, particle electrode, electrolyte concentration, and initial concentration of the solution on degradation efficiency were investigated to determine the optimal operating conditions. The degradation of o-chloronitrobenzene by oxidation at the TDE was monitored by chemical oxygen demand（COD） measurements, UV-Vis absorption, and high performance liquid chromatography（HPLC）. COD degradation by electrochemical degradation followed pseudo-first order kinetics with respect to the concentration of o-chloronitrobenzene solutions. Optimal reaction conditions included 15 g of activated carbon as the particle electrode, 400 mg/L o-chloronitrobenzene solution containing 0.10 mol/L Na2SO4, pH=3, and 60 min of electrolysis. The UV-Vis absorption spectra and HPLC results illustrate that the benzene ring in o-chloronitrobenzene was rapidly broken down to form aliphatic substances through electrochemical degradation. COD degradation was approximately 98.5% at optimal conditions.

Preparation and Electrochemical Characteristics of Three-dimensional Manganese Oxide Micro-supercapacitor Electrode

In order to increase the electrode surface area and enhance the charge storage capacity, we study the micro electro mechanical system technology to fabricate three-dimensional high aspect ratio micro-electrode structure based on glass. The anodic constant potential method is employed to deposit manganese oxide as electroactive substances on the micro-electrode surface. Cyclic voltammetry and constant current charge-discharge method are both used to prepare electrode electrochemical performance testing, with a two-dimensional electrode without structure for comparison. Experimental results show that three-dimensional elec- trode structure can effectively enhance the charge storage capacity. At 1.0 mA/cm2 charge- discharge density, the three-dimensional electrode shows a capacitance of 17.88 mF/cm2, seven times higher than the two-dimensional electrode.

Three-dimensional vertical ZnO transistors with suspended top electrodes fabricated by focused ion beam technology

Three-dimensional(3D)vertical architecture transistors represent an important technological pursuit,which have distinct advantages in device integration density,operation speed,and power consumption.However,the fabrication processes of such 3D devices are complex,especially in the interconnection of electrodes.In this paper,we present a novel method which combines suspended electrodes and focused ion beam(FIB)technology to greatly simplify the electrodes interconnection in 3D devices.Based on this method,we fabricate 3D vertical core-double shell structure transistors with ZnO channel and Al_(2)O_(3) gate-oxide both grown by atomic layer deposition.Suspended top electrodes of vertical architecture could be directly connected to planar electrodes by FIB deposited Pt nanowires,which avoid cumbersome steps in the traditional 3D structure fabrication technology.Both single pillar and arrays devices show well behaved transfer characteristics with an Ion/Ioff current ratio greater than 106 and a low threshold voltage around 0 V.The ON-current of the 2×2 pillars vertical channel transistor was 1.2μA at the gate voltage of 3 V and drain voltage of 2 V,which can be also improved by increasing the number of pillars.Our method for fabricating vertical architecture transistors can be promising for device applications with high integration density and low power consumption.

Three-dimensional numerical simulation of the flow past a circular cylinder based on LES method

The hydrodynamic characteristics of a rigid, single, circular cylinder in a three dimensional, incompressible, uniform cross flow were calculated using the large-eddy simulation method of CFX5. Solutions to the three dimensional N-S equations were obtained by the finite volume method. The focus of this numerical simulation was to research the characteristics of pressure distribution （drag and litt forces） and vortex tubes at high Reynolds numbers. The results of the calculations showed that the forces at every section in the spanwise direction of the cylinder were symmetrical about the middle section and smaller than the forces calculated in two dimensional cases. Moreover, the flow around the cylinder obviously presents three dimensional characteristics.

Advances in Mn‑Based Electrode Materials for Aqueous Sodium‑Ion Batteries

Aqueous sodium-ion batteries have attracted extensive attention for large-scale energy storage applications,due to abundant sodium resources,low cost,intrinsic safety of aqueous electrolytes and eco-friendliness.The electrochemical performance of aqueous sodium-ion batteries is affected by the properties of electrode materials and electrolytes.Among various electrode materials,Mn-based electrode materials have attracted tremendous attention because of the abundance of Mn,low cost,nontoxicity,eco-friendliness and interesting electrochemical performance.Aqueous electrolytes having narrow electrochemical window also affect the electrochemical performance of Mn-based electrode materials.In this review,we introduce systematically Mn-based electrode materials for aqueous sodium-ion batteries from cathode and anode materials and offer a comprehensive overview about their recent development.These Mn-based materials include oxides,Prussian blue analogues and polyanion compounds.We summarize and discuss the composition,crystal structure,morphology and electrochemical properties of Mn-based electrode materials.The improvement methods based on electrolyte optimization,element doping or substitution,optimization of morphology and carbon modification are highlighted.The perspectives of Mn-based electrode materials for future studies are also provided.We believe this review is important and helpful to explore and apply Mn-based electrode materials in aqueous sodium-ion batteries.

Velocity-Free MS/AE Source Location Method for Three-Dimensional Hole-Containing Structures

Microseismic/acoustic emission(MS/AE)source localization method is crucial for predicting and controlling of potentially dangerous sources of complex structures.However,the locating errors induced by both the irregular structure and pre-measured velocity are poorly understood in existing methods.To meet the high-accuracy locating requirements in complex three-dimensional hole-containing structures,a velocity-free MS/AE source location method is developed in this paper.It avoids manual repetitive training by using equidistant grid points to search the path,which introduces A*search algorithm and uses grid points to accommodate complex structures with irregular holes.It also takes advantage of the velocity-free source location method.To verify the validity of the proposed method,lead-breaking tests were performed on a cubic concrete test specimen with a size of 10 cm10 cm10 cm.It was cut out into a cylindrical empty space with a size of/6cm10 cm.Based on the arrivals,the classical Geiger method and the proposed method are used to locate lead-breaking sources.Results show that the locating error of the proposed method is 1.20 cm,which is less than 2.02 cm of the Geiger method.Hence,the proposed method can effectively locate sources in the complex three-dimensional structure with holes and achieve higher precision requirements.

Three-dimensional simulation method of multipactor in microwave components for high-power space application

Based on the particle-in-cell technology and the secondary electron emission theory, a three-dimensional simulation method for multipactor is presented in this paper. By combining the finite difference time domain method and the panicle tracing method, such an algorithm is self-consistent and accurate since the interaction between electromagnetic fields and particles is properly modeled. In the time domain aspect, the generation of multipactor can be easily visualized, which makes it possible to gain a deeper insight into the physical mechanism of this effect. In addition to the classic secondary electron emission model, the measured practical secondary electron yield is used, which increases the accuracy of the algorithm. In order to validate the method, the impedance transformer and ridge waveguide filter are studied. By analyzing the evolution of the secondaries obtained by our method, multipactor thresholds of these components are estimated, which show good agreement with the experimental results. Furthermore, the most sensitive positions where multipactor occurs are determined from the phase focusing phenomenon, which is very meaningful for multipactor analysis and design.

Microstructure modeling and virtual test of asphalt mixture based on three-dimensional discrete element method

The objective of this work is to model the microstructure of asphalt mixture and build virtual test for asphalt mixture by using Particle Flow Code in three dimensions(PFC^(3D))based on three-dimensional discrete element method.A randomly generating algorithm was proposed to capture the three-dimensional irregular shape of coarse aggregate.And then,modeling algorithm and method for graded aggregates were built.Based on the combination of modeling of coarse aggregates,asphalt mastic and air voids,three-dimensional virtual sample of asphalt mixture was modeled by using PFC^(3D).Virtual tests for penetration test of aggregate and uniaxial creep test of asphalt mixture were built and conducted by using PFC^(3D).By comparison of the testing results between virtual tests and actual laboratory tests,the validity of the microstructure modeling and virtual test built in this study was verified.Additionally,compared with laboratory test,the virtual test is easier to conduct and has less variability.It is proved that microstructure modeling and virtual test based on three-dimensional discrete element method is a promising way to conduct research of asphalt mixture.

Micromechanical modeling of asphalt concrete fracture using a user-defined three-dimensional discrete element method

A user-defined micromechanical model was developed to investigate the fracture mechanism of asphalt concrete （AC） using the discrete element method （DEM）. A three-dimensional （3D） AC beam was built using the ＂Fish＂ language provided by PFC3D and was employed to simulate the three-point bending beam test at two temperature levels： -10 ℃ and 15℃. The AC beam was modeled with the consideration of the microstructural features of asphalt mixtures. Uniaxial complex modulus test and indirect tensile strength test were conducted to obtain material input parameters for numerical modeling. The 3D predictions were validated using laboratory experimental measurements of AC beams prepared by the same mixture design. Effects of mastic stiffness, cohesive and adhesive strength on AC fracture behavior were investigated using the DEM model. The results show that the 3D DEM fracture model can accurately predict the fracture patterns of asphalt concrete. The ratio of stress at interfaces to the stress in mastics increases as the mastic stiffness decreases; however, the increase in the cohesive strength or adhesive strength shows no significant influence on the tensile strength.

Predicting the Dynamic Behavior of Asphalt Concrete Using Three-dimensional Discrete Element Method

A user-defined three-dimensional （3D） discrete element model was presented to predict the dynamic modulus and phase angle of asphalt concrete （AC）. The 3D discrete element method （DEM） model of AC was constructed employing a user-defined computer program developed using the ＂Fish＂ language in PFC3D. Important microstructural features of AC were modeled, including aggregate gradation, air voids and mastic. The irregular shape of aggregate particle was modeled using a clump of spheres. The developed model was validated through comparing with experimental measurements and then used to simulate the cyclic uniaxial compression test, based on which the dynamic modulus and phase angle were calculated from the output stress- strain relationship. The effects of air void content, aggregate stiffness and volumetric fraction on AC modulus were further investigated. The experimental results show that the 3D DEM model is able to accurately predict both dynamic modulus and phase angle of AC across a range of temperature and loading frequencies. The user- defined 3D model also demonstrated significant improvement over the general existing two-dimensional models.

Stream Surface Strip Element Method and Simulation of Three-Dimensional Deformation of Continuous Hot Rolled Strip

A new method,the stream surface strip element method,for simulating the three-dimensional deformation of plate and strip rolling process was proposed.The rolling deformation zone was divided into a number of stream surface(curved surface)strip elements along metal flow traces,and the stream surface strip elements were mapped into the corresponding plane strip elements for analysis and computation.The longitudinal distributions of the lateral displacement and the altitudinal displacement of metal were respectively constructed to be a quartic curve and a quadratic curve,of which the lateral distributions were expressed as the third-power spline function,and the altitudinal distributions were fitted in the quadratic curve.From the flow theory of plastic mechanics,the mathematical models of the three-dimensional deformations and stresses of the deformation zone were constructed.Compared with the streamline strip element method proposed by the first author of this paper,the stream surface strip element method takes into account the uneven distributions of stresses and deformations along altitudinal direction,and realizes the precise three-dimensional analysis and computation.The simulation example of continuous hot rolled strip indicates that the method and the model accord with facts and provide a new reliable engineering-computation method for the three-dimensional mechanics simulation of plate and strip rolling process.

Three-dimensional frequency-domain full waveform inversion based on the nearly-analytic discrete method

The nearly analytic discrete(NAD)method is a kind of finite difference method with advantages of high accuracy and stability.Previous studies have investigated the NAD method for simulating wave propagation in the time-domain.This study applies the NAD method to solving three-dimensional(3D)acoustic wave equations in the frequency-domain.This forward modeling approach is then used as the“engine”for implementing 3D frequency-domain full waveform inversion(FWI).In the numerical modeling experiments,synthetic examples are first given to show the superiority of the NAD method in forward modeling compared with traditional finite difference methods.Synthetic 3D frequency-domain FWI experiments are then carried out to examine the effectiveness of the proposed methods.The inversion results show that the NAD method is more suitable than traditional methods,in terms of computational cost and stability,for 3D frequency-domain FWI,and represents an effective approach for inversion of subsurface model structures.

Three-dimensional forward modeling for magnetotelluric sounding by finite element method

A finite element algorithm combined with divergence condition was presented for computing three-dimensional(3D) magnetotelluric forward modeling. The finite element equation of three-dimensional magnetotelluric forward modeling was derived from Maxwell's equations using general variation principle. The divergence condition was added forcedly to the electric field boundary value problem, which made the solution correct. The system of equation of the finite element algorithm was a large sparse, banded, symmetric, ill-conditioned, non-Hermitian complex matrix equation, which can be solved using the Bi-CGSTAB method. In order to prove correctness of the three-dimensional magnetotelluric forward algorithm, the computed results and analytic results of one-dimensional geo-electrical model were compared. In addition, the three-dimensional magnetotelluric forward algorithm is given a further evaluation by computing COMMEMI model. The forward modeling results show that the algorithm is very efficient, and it has a lot of advantages, such as the high precision, the canonical process of solving problem, meeting the internal boundary condition automatically and adapting to all kinds of distribution of multi-substances.

ANALYSIS OF THREE-DIMENSIONAL UPSETTING PROCESS BY THE RIGID-PLASTIC REPRODUCING KERNEL PARTICLE METHOD

A meshless approach, called the rigid-plastic reproducing kernel particle method （RKPM）, is presented for three-dimensional （3D） bulk metal forming simulation. The approach is a combination of RKPM with the flow theory of 3D rigid-plastic mechanics. For the treatments of essential boundary conditions and incompressibility constraint, the boundary singular kernel method and the modified penalty method are utilized, respectively. The arc-tangential friction model is employed to treat the contact conditions. The compression of rectangular blocks, a typical 3D upsetting operation, is analyzed for different friction conditions and the numerical results are compared with those obtained using commercial rigid-plastic FEM （finite element method） software Deform^3D. As results show, when handling 3D plastic deformations, the proposed approach eliminates the need of expensive meshing and remeshing procedures which are unavoidable in conventional FEM and can provide results that are in good agreement with finite element predictions.

Three-dimensional land FD-CSEM forward modeling using edge finite-element method

A modeling tool for simulating three-dimensional land frequency-domain controlled-source electromagnetic surveys,based on a finite-element discretization of the Helmholtz equation for the electric fields,has been developed.The main difference between our modeling method and those previous works is edge finite-element approach applied to solving the three-dimensional land frequency-domain electromagnetic responses generated by horizontal electric dipole source.Firstly,the edge finite-element equation is formulated through the Galerkin method based on Helmholtz equation of the electric fields.Secondly,in order to check the validity of the modeling code,the numerical results are compared with the analytical solutions for a homogeneous half-space model.Finally,other three models are simulated with three-dimensional electromagnetic responses.The results indicate that the method can be applied for solving three-dimensional electromagnetic responses.The algorithm has been demonstrated,which can be effective to modeling the complex geo-electrical structures.This efficient algorithm will help to study the distribution laws of3-D land frequency-domain controlled-source electromagnetic responses and to setup basis for research of three-dimensional inversion.