Tetrathiafulvalene esters with high redox potentials and improved solubilities for non-aqueous redox flow battery applications

The exploitation of high performance redox-active substances is critically important for the development of non-aqueous redoxflow batteries.Herein,three tetrathiofulvalene(TTF)derivatives with different substitution groups,namely TTF diethyl ester(TTFDE),TTF tetramethyl ester(TTFTM),and TTF tetraethyl ester(TTFTE),are prepared and their energy storage properties are evaluated.It has been found that the redox potential and solubility of these TTF derivatives in conventional carbonate electrolytes increases with the number of ester groups.The battery with a catholyte of 0.2 mol L^(-1) of TTFTE delivers a specific capacity of more than 10 Ah L^(-1) at the current density of 0.5 C with two discharge voltage platforms locating at as high as 3.85 and 3.60 V vs.Li/Liþ.Its capacity retention can be improved from 2.34 Ah L^(-1) to 3.60 Ah L^(-1) after 100 cycles by the use of an anion exchange membrane to block the crossover of TTF species.The excellent cycling stability of the TIF esters is supported by their well-delocalized electrons,as revealed by the density function theory calculations.Therefore,the introduction of more and larger electron-withdrawing groups is a promising strategy to simultaneously increase the redox-potential and solubility of redox-active ma-terials for non-aqueous redoxflow batteries.

Analytical study of pulsatile mixed electroosmotic and shear-driven flow in a microchannel with a slip-dependent zeta potential

The escalation of zeta potential by the influence of wall slip for the electrokinetically modulated flow through a microchannel motivates to consider the impact of hydrodynamic slippage upon the zeta or surface potential.The reported study undergoes an analytical exploration of the pulsatile electroosmosis and shear-actuated flow characteristics of a fluid with a Newtonian model through a microchannel with parallel plates by invoking the reliance of a zeta or surface potential on slippage.The linearized Poisson-Boltzmann and momentum equations are solved analytically to obtain the explicit expression of the electrical potential induced in the electrical double layer(EDL),the flow velocity field,and the volumetric flow rate for an extensive span of parameters.The velocity field proximal to the microchannel wall is observed to enhance by an apparent zeta potential,and is further escalated for a thinner EDL and an oscillating electric field with a higher amplitude.However,near the core region of the microchannel,the flow velocity becomes invariant with the EDL thickness.The result shows that the lower wall velocity contributes to the flow velocity along with the electroosmotic body force and the impact of the velocity of the wall underneath diminishes proximal to the upper wall.Moreover,the volumetric flow rate increases when the thickness of the EDL decreases,owing to the influence of the wall slip.However,for thinner EDLs and medium and higher oscillating Reynolds numbers,the volumetric flow rate varies non-monotonously,correlative to the slip-free and slip cases.

A fast multipole boundary element method for three-dimensional potential flow problems

A fast multipole methodology (FMM) is developed as a numerical approach to reduce the computational cost andmemory requirements in solving large-scale problems. It is applied to the boundary element method (BEM) for three-dimensional potential flow problems. The algorithm based on mixed multipole expansion and numerical integration isimplemented in combination with an iterative solver. Numerical examinations, on Dirichlet and Neumann problems,are carried out to demonstrate the capability and accuracy of the present method. It has been shown that the methodhas evident advantages in saving memory and computing time when used to solve huge-scale problems which may beprohibitive for the traditional BEM implementation.

Hierarchical model for strain generalized streaming potential induced by the canalicular fluid flow of an osteon

A hierarchical model is developed to predict the streaming potential （SP） in the canaliculi of a loaded os teon. Canaliculi are assumed to run straight across the os teon annular cylinder wall, while disregarding the effect of lacuna. SP is generalized by the canalicular fluid flow. Ana lytical solutions are obtained for the canalicular fluid veloc ity, pressure, and SP. Results demonstrate that SP amplitude （SPA） is proportional to the pressure difference, strain am plitude, frequency, and strain rate amplitude. However, the key loading factor governing SP is the strain rate, which is a representative loading parameter under the specific phys iological state. Moreover, SPA is independent of canalicu lar length. This model links external loads to the canalicu lar fluid pressure, velocity, and SP, which can facilitate fur ther understanding of the mechanotransduction and electro mechanotransduction mechanisms of bones.

Numerical simulation of standing wave with 3D predictor-corrector finite difference method for potential flow equations

A three-dimensional （3D） predictor-corrector finite difference method for standing wave is developed. It is applied to solve the 3D nonlinear potential flow equa- tions with a free surface. The 3D irregular tank is mapped onto a fixed cubic tank through the proper coordinate transform schemes. The cubic tank is distributed by the staggered meshgrid, and the staggered meshgrid is used to denote the variables of the flow field. The predictor-corrector finite difference method is given to develop the difference equa- tions of the dynamic boundary equation and kinematic boundary equation. Experimental results show that, using the finite difference method of the predictor-corrector scheme, the numerical solutions agree well with the published results. The wave profiles of the standing wave with different amplitudes and wave lengths are studied. The numerical solutions are also analyzed and presented graphically.

Hybrid Methods for Computing the Streamfunction and Velocity Potential for Complex Flow Fields over Mesoscale Domains

Three types of previously used numerical methods are revisited for computing the streamfunctionψand velocity potentialχfrom the horizontal velocity v in limited domains.The first type,called the SOR-based method,uses a classical successive over-relaxation(SOR)scheme to computeψ(orχ)first with an arbitrary boundary condition(BC)and thenχ(orψ)with the BC derived from v.The second type,called the spectral method,uses spectral formulations to construct the inner part of(ψ,χ)-the inversion of(vorticity,divergence)with a homogeneous BC,and then the remaining harmonic part of(ψ,χ)with BCs from v.The third type,called the integral method,uses integral formulas to compute the internally induced(ψ,χ)-the inversion of domain-internal(vorticity,divergence)using the free-space Greenꞌs function without BCs and then the remaining harmonicψ(orχ)with BCs from v minus the internally-induced part.Although these methods have previously been successfully applied to flows in large-scale and synoptic-scale domains,their accuracy is compromised when applied to complex flows over mesoscale domains,as shown in this paper.To resolve this problem,two hybrid approaches,the integral-SOR method and the integral-spectral method,are developed by combining the first step of the integral method with the second step adopted from the SOR-based and spectral methods,respectively.Upon testing these methods on real-case complex flows,the integral-SOR method is significantly more accurate than the integral-spectral method,noting that the latter is still generally more accurate than the three previously-used methods.The integral-SOR method is recommended for future applications and diagnostic studies of complex flows.

Identification of Potential Sites of Debris Flows in the Upper Min River Drainage,Following Environmental Changes Caused by the Wenchuan Earthquake

The Wenchuan earthquake caused numerous landslides and collapses that provide abundant unconsolidated material for future mobilization as debris flows.Debris flows will be very active and cause considerable damage for some time in the affected area.Because of environmental changes related to the earthquake,many potentially dangerous debris flow gullies have yet to be identified.This paper selects the upper Min River from Yinxiu to Wenchuan as the study area,interprets the unconsolidated deposits,and discusses their relationship to distance from the fault.Then,applying that information and the values of other factors relating to debris flow occurrence,the locations of potential debris flows are analyzed by multi-factor comprehensive identification and rapid identification.The multi-factor comprehensive identification employs fuzzy matter-element extension theory.The volume of unconsolidated material in the study area is about 3.28 × 108 m3.According to the analysis by multi-factor comprehensive identification,47 gullies have a high probability for potential debris flow,8 gullies have a moderate probability,and 1 gully has a low probability.

A numerical investigation of bubble dynamics based on the potential-flow theory

In this paper, the flow field is assumed to be inviscid, irrotational and incompressible, triangular elements are adopted to discretize the boundary of flow field, the boundary integral method is used to solve the flow field and the Mixed-Eulerian-Lagrangian method is applied to simulate the evolution of bubble. Three-dimensional smoothing method is used to smooth the bubble surface and the velocity potential to make the computing process more accurate and stable. In the analysis process, three-dimensional model simulates the dynamics of a bubble in the free field, gravitational field and near the rigid wall respectively, and the calculated results coincide well with the exact results and experimental data, which show that the algorithm and 3D model in this paper are of high accuracy. Calculation process indicates that bubble takes on strong non-linear under the combine effect of gravity and rigid wall.

A Potential Flow Based Flight Simulator for an Underwater Glider

在水下滑翔机是最近的创新类型自治在水下车辆(AUV ) 在海洋探索和观察使用了。他们调整快活潜水并且回到海洋表面。在高度的变化期间，他们使用力量由他们的翅膀开发了向前移动的水动力学。他们的班机被改变他们的重心和他们的快活的位置调整他们的修剪和脚跟角度控制。为更好的飞行控制，水动力学行为的理解和飞行力学在水下滑翔机是必要的。A 6-DOF 运动模拟器被结合为这个目的一个不稳定的潜在的流动模型。在一些特定的盒子中，数字学习证明一种不恰当的 stabilizer 尺寸能引起相反驾驶的行为。模拟器能被用来改进自动飞行控制。它能也被用于设备的水动力学设计优化。

RELATIVE ENTROPY AND COMPRESSIBLE POTENTIAL FLOW

Compressible （full） potential flow is expressed as an equivalent first-order system of conservation laws for density ρ and velocity v. Energy E is shown to be the only nontrivial entropy for that system in multiple space dimensions, and it is strictly convex in ρ, v if and only if ｜v｜ 〈 c. For motivation some simple variations on the relative entropy theme of Dafer- mos/DiPerna are given, for example that smooth regions of weak entropy solutions shrink at finite speed, and that smooth solutions force solutions of singular entropy-compatible per- turbations to converge to them. We conjecture that entropy weak solutions of compressible potential flow are unique, in contrast to the known counterexamples for the Euler equations.

GENERAL EXACT SOLUTION OF INCOMPRESSIBLE POTENTIAL FLOWS AROUND TWO CIRCLES

Three exact solutions are obtained for 2-D incompressible potential flows around two moving circles in three cases: (i) expansion (or contraction) of themselves, (ii) approaching (or departing from) each other, (iii) moving perpendicularly to the line connecting the centres in opposite directions. Meanwhile, an- other set of two exact solutions is obtained for 2-D incompressible potential flows between two moving eccen- tric circles in two cases: moving parallelly or perpendicularly to the line connecting the centres.

Dissipative free-surface solver for potential flow around hydrofoil distributed with doublets

A doublet integral equation is formulated for the two-dimensional dissipative potential flow around a hydrofoil submerged below a free-water surface. The free-water surface is assumed to involve energy dissipation, and thus it is the source of damping. A doublet panel method is developed from incorporation of the dissipative Green function approach and the doublet distributions on the hydrofoil surface. Numerical computations are implemented, and the derived numerical results are in good agreement with analytic solutions and experimental measurements.

A new cellular automata model of traffic flow with negative exponential weighted look-ahead potential

With the development of traffic systems, some issues such as traffic jams become more and more serious. Efficient traffic flow theory is needed to guide the overall controlling, organizing and management of traffic systems. On the basis of the cellular automata model and the traffic flow model with look-ahead potential, a new cellular automata traffic flow model with negative exponential weighted look-ahead potential is presented in this paper. By introducing the negative exponential weighting coefficient into the look-ahead potential and endowing the potential of vehicles closer to the driver with a greater coefficient, the modeling process is more suitable for the driver’s random decision-making process which is based on the traffic environment that the driver is facing. The fundamental diagrams for different weighting parameters are obtained by using numerical simulations which show that the negative exponential weighting coefficient has an obvious effect on high density traffic flux. The complex high density non-linear traffic behavior is also reproduced by numerical simulations.

Numerical Comparison for Focused Wave Propagation Between the Fully Nonlinear Potential Flow and the Viscous Fluid Flow Models

Numerical simulations on focused wave propagation are carried out by using three types of numerical models,including the linear potential flow,the nonlinear potential flow and the viscous fluid flow models.The wave-wave interaction of the focused wave group with different frequency bands and input wave amplitudes is examined,by which the influence of free surface nonlinearity and fluid viscosity on the related phenomenon of focused wave is investigated.The significant influence of free surface nonlinearity on the characteristics of focused wave can be observed,including the increased focused wave crest,delayed focused time and downstream shift of focused position with the increase of input amplitude.It can plot the evident difference between the results of the nonlinear potential flow and linear potential flow models.However,only a little discrepancy between the nonlinear potential flow and viscous fluid flow models can be observed,implying the insignificant effect of fluid viscosity on focused wave behavior.Therefore,the nonlinear potential flow model is recommended for simulating the non-breaking focused wave problem in this study.

A General Boundary Solution Method for Potential Flow around a 2D Semi-infinite Body

By using Cauchy's integral formula of analytical complex function and the third order complex spline function, a general boundary solution method for solving the complex potential field of the flow field around a 2D semi infinite body is presented in this paper. The pressure coefficients obtained by the present method agree well with those given by Acrivous, showing the validity of our method.

Pulsatile electroosmotic flow of a Maxwell fluid in a parallel flat plate microchannel with asymmetric zeta potentials

The pulsatile electroosmotic flow （PEOF） of a Maxwell fluid in a parallel flat plate microchannel with asymmetric wall zeta potentials is theoretically analyzed. By combining the linear Maxwell viscoelastic model, the Cauchy equation, and the electric field solution obtained from the linearized PoissomBoltzmann equation, a hyperbolic par- tial differential equation is obtained to derive the flow field. The PEOF is controlled by the angular Reynolds number, the ratio of the zeta potentials of the microchannel walls, the electrokinetic parameter, and the elasticity number. The main results obtained from this analysis show strong oscillations in the velocity profiles when the values of the elas- ticity number and the angular Reynolds number increase due to the competition among the elastic, viscous, inertial, and electric forces in the flow.

Numerical simulation of dense particle-gas two-phase flow using the minimal potential energy principle

A simulation method of dense particle-gas two-phase flow has been developed. The binding force is introduced to present the impact of particle clustering and its expression is deduced according to the principle of minimal potential energy. The cluster collision, break-up and coalescence models are proposed based on the assumption that the particle cluster are treated as one discrete phase. These models are used to numerically study the two-phase flow field in a circulating fluidized bed （CFB）. Detailed results of the cluster structure, cluster size, particle volume fraction, gas velocity, and particle velocity are obtained. The correlation between the simulation results and experimental data justifies that these models and algorithm are reasonable, and can be used to efficiently study the dense particle-gas two-phase flow.

Potential sediment sources identification of debris flows in the Jiangjia Gully,China

It is of great significance for gully prevention and management to identify the potential sediment source of debris flow.Debris flow in a gully always originates from tributaries that have different gravity potential energies and sediment condition.In this study,tributaries of the Jiangjia Gully(JJG) in Yunnan province,China,are taken as the study area to determine the possible sediment sources of debris flow.It was found that tributaries with a high evolution index(EI,the integral of the hypsometric curve) always had high gravity potential energy,which favors the occurrence of landslide activity.Furthermore,the relationship between sediment distribution,gravity potential energy,and EI is compared,respectively.The results showed that the EI had a greater influence on the occurrence of landslides,and sediments were concentrated in tributaries with EI between 0.5 and 0.6.Accordingly,tributaries with EI > 0.5 were identified as the sediment sources of debris flow.In addition,the shape of a tributary was related to EI and can reflect the condition of water and sediment storage.

Periodical streaming potential and electro-viscous effects in microchannel flow

This paper presents an analytical solution to periodical streaming potential, flow-induced electric field and velocity of periodical pressure-driven flows in twodimensional uniform microchannel based on the Poisson-Boltzmann equations for electric double layer and Navier-Stokes equation for liquid flow. Dimensional analysis indicates that electric-viscous force depends on three factors： （1） Electric-viscous number representing a ratio between maximum of electric-viscous force and pressure gradient in a steady state, （2） profile function describing the distribution profile of electro-viscous force in channel section, and （3） coupling coefficient reflecting behavior of arnplitude damping and phase offset of electro-viscous force. Analytical results indicate that flow-induced electric field and flow velocity depend on frequency Reynolds number （Re = wh^2/v）. Flow-induced electric field varies very slowly with Re when Re 〈 1, and rapidly decreases when Re 〉 1. Electro-viscous effect on flow-induced electric field and flow velocity are very significant when the rate of the channel width to the thickness of electric double layer is small.

THE VERIFICATION OF THE CURRENT TRANSIENT EQUATION AT TUBULAR ELECTRODES IN A FLOWING FLUID UNDER POTENTIAL STEP

The equation derived for the response of the current transients in the flowing fluid is verified experimentally.