Structural engineering of Fe single-atom oxygen reduction catalyst with high site density and improved mass transfer

Fe-N-C catalysts are widely considered as promising non-precious-metal candidates for electrocatalytic oxygen reduction reaction(ORR),Yet despite their high catalytic activity through rational modulation,challenges remain in their low site density and unsatisfactory mass transfer structure.Herein,we present a structural engineering approach employing a soft-template coating strategy to fabricate a hollow and hierarchically porous N-doped carbon framework anchored with atomically dispersed Fe sites(FeNCh) as an efficient ORR catalyst.The combination of hierarchical porosity and high exterior surface area is proven crucial for exposing more active sites,which gives rise to a remarkable ORR performance with a half-wave potential of 0.902 V in 0.1 m KOH and 0.814 V in 0.1 m HClO_(4),significantly outperforming its counterpart with solid structure and dominance of micropores(FeNC-s).The mass transfer property is revealed by in-situ electrochemical impedance spectroscopy(EIS) measurement.The distribution of relaxation time(DRT) analysis is further introduced to deconvolve the kinetic and mass transport processes,which demonstrates an alleviated mass transport resistance for FeNC-h,validating the effectiveness of structural engineering.This work not only provides an effective structural engineering approach but also contributes to the comprehensive mass transfer evaluation on advanced electrocatalyst for energy conversion applications.

Simultaneous effects of chemical reaction and Ohmic heating with heat and mass transfer over a stretching surface: A numerical study

In this article, we have considered the simultaneous influence of ohmic heating and chemical reaction on heat and mass transfer over a stretching sheet. The effects of applied magnetic field are also taken into consideration while the induced magnetic field is not considered due to very small magnetics Reynolds number. The governing flow problem comprises of momentum, continuity, thermal energy and concentration equation which are transformed into highly nonlinear coupled ordinary differential equations by means of similarity transforms, which are then, solved numerically with the help of Successive Linearization method(SLM) and Chebyshev Spectral collocation method. Numerical values of skin friction coefficient, local Nusselt number, and Sherwood number are also taken into account with the help of tables. The physical influence of the involved parameters of flow velocity, temperature and concentration distribution is discussed and demonstrated graphically. The numerical comparison is also presented with the existing published results and found that the present results are in excellent agreement which also confirms the validity of the present methodology.

Mathematic Model of Unsteady Penetration Mass Transfer in Randomly Packed Hollow Fiber Membrane Module

Based on the membrane-based absorption experiment of CO2 into water, shell-side flow distribution and mass transfer in a randomly packed hollow fiber module have been analyzed using subchannel model and unsteady penetration mass transfer theory. The cross section of module is subdivided into many small cells which contains only one hollow-fiber. The cross sectional area distribution of these cells is presented by the normal probability density distribution function. It has been obtained that there was a most serious non-ideal flow in shell side at moderate mean packing density, and the large amount of fluid flowed and transferred mass through a small number of large voids. Thus mass transfer process is dominated by the fluid through the larger void area. The mass transfer process in each cell is described by the unsteady penetration theory. The overall mass transfer coefficient equals to the probability addition of the mean mass transfer coefficient in each cell. The comparisons of the values calculated by the model established with the empirical correlations and the experimental data of this work have been done.The predicted overall mass transfer coefficients are in good agreement with experimental data.

Measurement of Mass Transfer Coefficients and Their Modelling of Continuous Counter-Current Aqueous Two-Phase System in a Packed Extraction Column

Overall dispersed side volumetric mass transfer coefficients for protein and amino acids were measured in continuous countercurrent PEG4000/KHP aqueous two-phase systems in a 57mm I.D. packed extraction column. A model for overall dispersed side volumetric mass transfer coefficients was derived by describing the motion of the drops based upon Navier-Stokes equation combined with the relationship between mass transfer coefficients and the drop velocity. The model provides good predictions and can be successfully used in aqueous two-phase extraction. The average relative deviation between calculated values and experimental data ranges from 8% to 14%.

Solubility and mass transfer of H2, CH4, and their mixtures in vacuum gas oil: An experimental and modeling study

In this work,the solubility data and liquid-phase mass transfer coefficients of hydrogen(H2),methane(CH4)and their mixtures in vacuum gas oil(VGO)at temperatures(353.15-453.15 K)and pressures(1-7 MPa)were measured,which are necessary for catalytic cracking process simulation and design.The solubility of H2 and CH4 in VGO increases with the increase of pressure,but decreases with the increase of temperature.Henry’s constants of H2 and CH4 follow the relation of In H=-413.05/T+5.27 and In H=-990.67/T+5.87,respectively.The molar fractions of H2 and system pressures at different equilibrium time were measured to estimate the liquid-phase mass transfer coefficients.The results showed that with the increase of pressure,the liquid-phase mass transfer coefficients increase.Furthermore,the solubility of H2 and CH4 in VGO was predicted by the predictive COSMO-RS model,and the predicted values agree well with experimental data.In addition,the gas-liquid equilibrium(GLE)for H2+CH4+VGO system at different feeding gas ratios in volume fraction(i.e.,H285%+CH415%and H290%+CH410%)was measured.The selectivity of H2 to CH4 predicted by the COSMO-RS model agrees well with experimental data.This work provides the basic thermodynamic and dynamic data for fuel oil catalytic cracking processes.

CONJUGATE MODEL FOR HEAT AND MASS TRANSFER OF POROUS WALL IN THE HIGH TEMPERATURE GAS FLOW

Heat and mass transfer of a porous permeable wall in a high temperature gas dynamical flow is considered. Numerical simulation is conducted on the ground of the conjugate mathematical model which includes filtration and heat transfer equations in a porous body and boundary layer equations on its surface. Such an approach enables one to take into account complex interaction between heat and mass transfer in the gasdynamical flow and in the structure subjected to this flow. The main attention is given to the impact of the intraporous heat transfer intensity on the transpiration cooling efficiency.

Mathematical Model of Coupled Heat and Mass Transfer in Unsaturated Soils *1

A systematic study of coupled heat and mass transfer in unsaturated soils under complex boundary conditions was carried out and a mathematical model of heat and mass transfer in unsaturated soils was established by non equilibrium thermodynamic theory. The gradient of volumetric moisture content, the gradient of temperature, the salt mass concentration and vapor pressure were the primary driving forces influencing the process of heat and mass transfer in unsaturated soils. Based on the thermodynamic analysis and the mass and energy conservation principles, a set of mass and energy equations were developed. The initial and boundary conditions of soil column for one dimension were also given out.

MHD Heat and Mass Transfer of an Oscillatory Flow over a Vertical Permeable Plate in a Porous Medium with Chemical Reaction

The problem of magneto-hydro-dynamic (MHD) mass and heat transfer of an oscillatory fluid in two-dimensional viscous, electrically conducting over an infinite vertical permeable moving plate in a saturated porous medium with the presence of a transverse magnetic field and chemical reaction is analytically presented. The governing equations, momentum, energy, and concentration are solved. Various flow parameters effects on velocity, temperature and concentration fields are discussed. It is found that, the fluid velocity increases with increasing both the permeability and chemical reaction parameters. While, it increases with decreasing the magnetic field parameter. Furthermore, the concentration increases with increasing chemical reaction parameters.

Mass transfer process of peanut protein extracted by bis(2-ethylhexyl)sodium sulfosuccinate reverse micelles

The liquid-liquid extraction method using reverse micelles can simultaneously extract lipid and protein of oilseeds,which have become increasingly popular in recent years.However,there are few studies on mass transfer processes and models,which are helpful to better control the extraction process of oils and proteins.In this paper,mass transfer process of peanut protein extracted by bis(2-ethylhexyl)sodium sulfosuccinate(AOT)/isooctane reverse micelles was investigated.The effects of stirring speed(0,70,140,and 210 r/min),temperature of extraction(30,35,40,45,and 50℃),peanut flour particle size(0.355,0.450,0.600,and 0.900 mm)and solidliquid ratio(0.010,0.0125,0.015,0.0175,and 0.020 g/mL)on extraction rate were examined.The results showed that extraction rate increased with temperature rising,particle size reduction as well as solid-liquid ratio increase respectively,while little effect of stirring speed(P>0.05)was observed.The apparent activation energy of extraction process was calculated as 10.02 kJ/mol and Arrhenius constant(A)was 1.91 by Arrhenius equation.There was a linear relationship between reaction rate constant and the square of the inverse of initial particle radius(1/r_(0)^(2))(P<0.05).This phenomenon and this shrinking core model were anastomosed.In brief,the extraction process was controlled by the diffusion of protein from the virgin zone interface of particle through the reacted zone and it was in line with the first order reaction.Mass transfer kinetics of peanut protein extracted by reverse micelles was established and it was verified by experimental results.The results provide an important theoretical guidance for industrial production of peanut protein separation and purification.

Experiment and finite element method analysis mass erosion and transfer of Ag/La_2NiO_4-based electrical contacts during operation

A uniform transient temperature field model of electrical contacts operation was found by analyzing the process of closing arc constriction resistance Joule heat ~ breaking arc. Essential parameters of Ag/La2NiO4 electrical contact material for transient temperature field calculation were obtained through tests of electrical contact experimental instrument under 18 V DC in different cur- rents, other correlation experiments, and calculation anal- ysis. The finite element method was applied to solve the transient temperature field, and the features and distribution of the transient temperature field were obtained. The condition of material erosion and mass transfer can be forecasted by those calculation results. It is beneficial to research about the lifetime of Ag/La2NiO4 electrical material.

Gas–liquid mass transfer and flow phenomena in the Peirce–Smith converter: a water model study

A water model with a geometric similarity ratio of 1：5 was developed to investigate the gas-liquid mass transfer and flow charac- teristics in a Peirce-Smith converter. A gas mixture of CO2 and Ar was injected into a NaOH solution bath. The flow field, volumetric mass transfer coefficient per unit volume （Ak/V; where A is the contact area between phases, V is the volume, and k is the mass transfer coeffi- cient）, and gas utilization ratio （t/） were then measured at different gas flow rates and blow angles. The results showed that the flow field could be divided into five regions, i.e., injection, strong loop, weak loop, splashing, and dead zone. Whereas the Ak/V of the bath increased and then decreased with increasing gas flow rate, and n steadily increased. When the converter was rotated clockwise, both Ak/F and t/increased. However, the flow condition deteriorated when the gas flow rate and blow angle were drastically increased. Therefore, these para- meters must be controlled to optimal conditions. In the proposed model, the optimal gas flow rate and blow angle were 7.5 m3.h-1 and 10°, respectively.

Heat and Mass Transfer in MHD Visco-Elastic Fluid Flow through a Porous Medium over a Stretching Sheet with Chemical Reaction

This paper presents the study of convective heat and mass transfer characteristics of an incompressible MHD visco-elastic fluid flow immersed in a porous medium over a stretching sheet with chemical reaction and thermal stratification effects. The resultant governing boundary layer equations are highly non-linear and coupled form of partial differential equations, and they have been solved by using fourth order Runge-Kutta integration scheme with Newton Raphson shooting method. Numerical computations are carried out for the non-dimensional physical parameters. Here a numerical has been carried out to study the effect of different physical parameters such as visco-elasticity, permeability of the porous medium, magnetic field, Grashof number, Schmidt number, heat source parameter and chemical reaction parameter on the flow, heat and mass transfer characteristics.

Study on mass transfer of ethyl acetate in polymer adsorbent by experimental and theoretical breakthrough curves

A new polymeric adsorbent with highly hypercrosslinked structure was developed for the removal of VOCs from polluted air. The purpose of this work is to obtain the intraparticle mass transfer coefficient of the adsorbent particles. Adsorption experiments for obtaining breakthrough curves were carried out with a fixed bed system. A dynamic mathematical model for the fixed bed adsorption system was developed.By model fitting, the overall mass transfer coefficient was determined when the deviation error was minimum. Then, the intraparticle mass transfer coefficient of the adsorbent was determined when the external mass transfer resistance was eliminated at higher velocities. Furthermore, a linear relationship of the intraparticle mass transfer coefficient and equilibrium coefficient at lower inlet gas concentrations range was correlated. Moreover, an equation for predicting external mass transfer coefficient at low Reynolds number range at room temperature was obtained.

Transfer and Reaction Performances of Selective Catalytic Reduction of NzO with CO over Monolith Catalysts

This work tries to identify the relationship between geometric configuration of monolith catalysts, and transfer and reaction performances for selective catalytic reduction of N2O with CO. Monolith catalysts with five different channel shapes (circle, regular triangle, rectangle, square and hexagon), was investigated to make a comprehensive comparison of their pressure drop, heat transfer Nu number, mass transfer Sh number and N2O conversion. It was found that monolith catalysts have a much lower pressure drop than that of traditional packed bed, and for monolith catalysts with different channel shapes, pressure drop decreases in the order of regular triangle > rectangle > square > hexagon > circle. The order of Nu is in regular triangle > rectangle ≈ square > hexagon > circle, similar to that of Sh. N2O conversion follows the order of regular triangle > rectangular ≈ square ≈ circle > hexagon. The results indicate that chemical reaction including internal diffusion is the controlling step in the selective catalytic reduction of N2O removal with CO. In addition, channel size and gas velocity also have influence on N2O conversion and pressure drop.

Simulation of coupled flowing-reaction-deformation with mass transfer in heap leaching processes

Governing equations for a fully coupled flowing-reaction-deformation behavior with mass transfer in heap leaching are developed. The model equations are solved using an explicit finite difference method under the conditions of invariable application rate and constant hydraulic head. The distribution of the degree of the saturation, as well as the distributions of the concentration of the reagent and the solute is given. A cubic relationship between the mineral recovery and the leaching duration is obtained based on the numerical results. The relationship can be used to predict the recovery percentage of the valuable metal.

Analysis and Measurement of Mass Transfer in Airlift Loop Reactors

Inter-phase mass transfer is important to the design and performance of airlift loop reactors for either chemical or biochemical applications, and a good measurement technique is crucial for studying mass transfer in multiphase systems. According to the model of macro-scale mass transfer in airlift loop reactors, it was proved that the airlift loop reactor can be regarded as a continuous stirred tank reactor for measuring mass transfer coefficient. The calculated mass transfer coefficient on such a basis is different from the volumetric mass transfer coefficient in the macro-scale model and the difference is discussed. To describe the time delay of the probe response to the change of oxygen concentration in the liquid phase, a model taking into account the time constant of response is es-tablished. Sensitivity analysis shows that this model can be used to measure the volumetric mass transfer coefficient. Applying this model to the measurement of volumetric mass transfer coefficient in the loop reactor, results that co-incide with the turbulence theory in the literate were obtained.

CFD Simulation of Flow and Mass Transfer in Structured Packing Distillation Columns

Detailed investigation of flow behavior in structured packing distillation columns is of great importance in accurate prediction of process efficiency and development of more efficient and optimal equipment internals. In this study, a three-dimensional two-phase flow model based on VOF method for simulating the hydrodynamics and mass-transfer behavior in a typical representative unit of the structured packing is developed. In the proposed model, the c 2 - ε c model is used for the closure of turbulent mass transfer equation. By solving the proposed model, the velocity distribution, phase fraction profile and concentration field are obtained. Using these data, the total liquid holdup, the wetted area and the separation efficiency [height equivalent to a theoretical plate (HETP)] are estimated. For testing the model validation, the simulated HETPs are compared with our previous experimental data obtained in a 150 mm-diameter column containing Mellapak 350Y operating at the pressures of 0.6-1.8 MPa. The compari-son shows that they are in satisfactory agreement, with an average absolute deviation (AAD) of 25.4%.

Modeling of Mass Transfer in Nonideal Multicomponent Mixture with Maxwell-Stefan Approach

The Intalox metal tower packing was used to simulate an industrial relevant extractive distillation column for purifying azeotropic multicomponent mixture.In order to explain the inconsistencies in the modeling of transfer process in nonideal multicomponent distillation column,a method was developed with equilibrium stage models(EQ)and non-equilibrium model(NEQ)incorporated with Maxwell-Stefan diffusion equations in the framework of AspenONE simulator.Dortmund Modified UNIFAC(UNIFAC-DMD)thermodynamic model was employed to estimate activity coefficients.In addition,to understand the reason for the diffusion against driving force and the different results by EQ and NEQ models,explicit investigations were made on diffusion coefficients, component Murphree efficiency and mass transfer coefficients.The results provide valuable information for basic design and applications associated with extractive distillation.

Theoretical uncertainties of(d,^(3)He)and(^(3)He,d)reactions owing to the uncertainties of optical model potentials

The theoretical uncertainties of single proton transfer cross sections of the(^(3)He,d)and(d,^(3)He)reactions,owing to the uncertainties of the entrance-and exit-channel optical model potentials,are examined with the^(30)Si(^(3)He,d)^(31)P,^(13)B(d,^(3)He)^(12)Be,and^(34)S(^(3)He,d)^(35)Cl reactions at incident energies of 25,46,and 25 MeV,respectively,within the framework of the distorted wave Born approximation.The differential cross sections at the first peaks in the angular distributions of these reactions are found to have uncertainties of approximately 5%,owing to the uncertainties in the optical model potentials from 20,000 calculations of randomly sampled parameters.This amount of uncertainty is found to be nearly independent of the angular momentum transfer and the target masses within the studied range of incident energies.Uncertainties in the single proton spectroscopic factors obtained by matching the theoretical and experimental cross sections at different scattering angles are also discussed.

Elucidating the Role of Mass Transfer in Electrochemical Redox Reactions on Electrospun Fibers

Mass transfer can tune the surface concentration of reactants and products and subsequently infl uence the catalytic perfor-mance.The morphology of nanomaterials plays an important role in the mass transfer of reaction microdomains,but related studies are lacking.Herein,a facile electrospinning technique utilizing cellulose was employed to fabricate a series of carbon nanofi bers with diff erent diameters,which exhibited excellent electrochemical nitrate reduction reaction and oxygen evolu-tion reaction activities.Furthermore,the microstructure of electrocatalysts could infl uence the gas-liquid-solid interfacial mass transfer,resulting in diff erent electrochemical performances.