Carbon Doping Triggered Efficient Electrochemical Hydrogen Evolution of Cross-Linked Porous Ru-MoO_(2) Via Solid-Phase Reaction Strategy

The defect-free structure of Mo-based materials is a“double-edged sword”,which endows the material with excellent stability,but limits its chemical versatility and application in electrochemical hydrogen evolution reaction(HER).Carbon doping engineering is an attractive strategy to effectively improve the performance of Mo-based catalyst and maintain their stability.Herein,we report a cross-linked porous carbon-doped MoO_(2)(C–MoO_(2))-based catalyst Ru/C–MoO_(2) for electrochemical HER,which is prepared by the convenient redox solid-phase reaction(SPR)of porous RuO_(2)/Mo_(2)C composite precursor.Theoretical studies reveal that due to the presence of carbon atoms,the electronic structure of C–MoO_(2) has been properly adjusted,and the loaded small Ru nanoparticles provide a fast water dissociation rate and moderate H adsorption strength.In electrochemical studies under a pH-universal environment,Ru/C–MoO_(2) electrocatalyst exhibits a low overpotential at a current density of 10 mA cm^(-2) and has a low Tafel slope.Meanwhile,Ru/C-MoO_(2) has excellent stability for more than 100 h at an initial current density of 100 mA cm^(-2).

Multi-Objective Optimization of Multi-Product Parallel Disassembly Line Balancing Problem Considering Multi-Skilled Workers Using a Discrete Chemical Reaction Optimization Algorithm

This work investigates a multi-product parallel disassembly line balancing problem considering multi-skilled workers.A mathematical model for the parallel disassembly line is established to achieve maximized disassembly profit and minimized workstation cycle time.Based on a product’s AND/OR graph,matrices for task-skill,worker-skill,precedence relationships,and disassembly correlations are developed.A multi-objective discrete chemical reaction optimization algorithm is designed.To enhance solution diversity,improvements are made to four reactions:decomposition,synthesis,intermolecular ineffective collision,and wall invalid collision reaction,completing the evolution of molecular individuals.The established model and improved algorithm are applied to ball pen,flashlight,washing machine,and radio combinations,respectively.Introducing a Collaborative Resource Allocation(CRA)strategy based on a Decomposition-Based Multi-Objective Evolutionary Algorithm,the experimental results are compared with four classical algorithms:MOEA/D,MOEAD-CRA,Non-dominated Sorting Genetic Algorithm Ⅱ(NSGA-Ⅱ),and Non-dominated Sorting Genetic Algorithm Ⅲ(NSGA-Ⅲ).This validates the feasibility and superiority of the proposed algorithm in parallel disassembly production lines.

Shock-induced chemical reaction characteristics of PTFE-Al-Bi_(2)O_(3)reactive materials

A ternary system of PTFE/Al/Bi_(2)O_(3)is constructed by incorporating PTFE-based reactive material and thermite for enhancing the energy release of the PTFE-based reactive material.The effects of Bi_(2)O_(3)in the PTFE/Al/Bi_(2)O_(3)on both mechanical properties and the energy release were investigated through various tests such as thermogravimetry-differential scanning calorimetry,adiabatic oxygen bomb test and split Hopkinson pressure bar test.The microstructure observed through scanning electron microscope and Xray diffraction results are used to analyze the ignition and reaction mechanism of PTFE/Al/Bi_(2)O_(3).The results indicate that the PTFE/Al/Bi_(2)O_(3)are capable of triggering the exothermic reaction of molten PTFE/Bi_(2)O_(3)and Al/Bi_(2)O_(3)over the PTFE/Al reactive materials,thereby promoting reactions.The excessive aluminum in the ternary system is beneficial for increasing energy release.The ignition of shock-induced chemical reactions in PTFE/Al/Bi_(2)O_(3)is closely related to the material fracture.The dominant mechanism for hot-spot generation under Split Hopkinson Pressure Bar test is the frictional temperature rise at the microcrack after failure.

Melting Flow Analyzation of Radiative Riga Plate Two-Phase Nano-Fluid Across Non-Flatness Plane with Chemical Reaction

There is a strong relationship between analytical and numerical heat transfers due to thermodynamically anticipated findings,making thermo-dynamical modeling an effective tool for estimating the ideal melting point of heat transfer.Under certain assumptions,the present study builds a mathematical model of melting heat transport nanofluid flow of chemical reactions and joule heating.Nanofluid flow is described by higher-order partial non-linear differential equations.Incorporating suitable similarity transformations and dimensionless parameters converts these controlling partial differential equations into the non-linear ordinary differential equations and resulting system of nonlinear equations is established.Plotted graphic visualizations in MATLAB allow for an indepth analysis of the effects of distinguishing factors on fluid flow.Innovative applications of the findings include electronic cooling,heat transfer,reaction processes,nuclear reactors,micro heat pipes,and other related fields.If the exponential index increases,however,the thermal profile becomes worse.By comparing the current findings to those already published in the literature for this particular example,we find that they are highly congruent,therefore validating the present work.Every one of the numerical findings exhibits asymptotic behavior by meeting the specified boundary conditions.

Casson Nanofluid Flow with Cattaneo-Christov Heat Flux and Chemical Reaction Past a Stretching Sheet in the Presence of Porous Medium

In the current work,inclined magnetic field,thermal radiation,and the Cattaneo-Christov heat flux are taken into account as we analyze the impact of chemical reaction on magneto-hydrodynamic Casson nanofluid flow on a stretching sheet.Modified Buongiorno’s nanofluid model has been used to model the flow governing equations.The stretching surface is embedded in a porousmedium.By using similarity transformations,the nonlinear partial differential equations are transformed into a set of dimensionless ordinary differential equations.The numerical solution of transformed dimensionless equations is achieved by applying the shooting procedure together with Rung-Kutta 4th-order method employing MATLAB.The impact of significant parameters on the velocity profile f(ζ),temperature distributionθ(ζ),concentration profileϕ(ζ),skin friction coefficient(Cf),Nusselt number(Nux)and Sherwood number(Shx)are analyzed and displayed in graphical and tabular formats.With an increase in Casson fluid 0.5<β<2,the motion of the Casson fluid decelerates whereas the temperature profile increases.As the thermal relation factor expands 0.1<γ1<0.4,the temperature reduces,and consequently thermal boundary layer shrinks.Additionally,by raising the level of thermal radiation 1<Rd<7,the temperature profile significantly improves,and an abrupt expansion has also been observed in the associated thermal boundary with raise thermal radiation strength.It was observed that higher permeability 0<K<4 hinders the acceleration of Casson fluid.Higher Brownian motion levels 0.2<Nb<0.6 correspond to lower levels of the Casson fluid concentration profile.Moreover,it is observed that chemical reaction 0.2<γ2<0.5 has an inverse relation with the concentration level of Casson fluid.The current model’s significant uses include heat energy enhancement,petroleum recovery,energy devices,food manufacturing processes,and cooling device adjustment,among others.Furthermore,present outcomes have been found in great agreementwith already publishedwork.

Hydromagnetic Squeezing Nanofluid Flow between Two Vertical Plates in Presence of a Chemical Reaction

In this study, Hydromagnetic Squeezing Nanofluid flow between two vertical plates in presence of a chemical reaction has been investigated. The governing equations were transformed by similarity transformation and the resulting ordinary differential equations were solved by collocation method. The velocity, temperature, concentration and magnetic induction profiles were determined with help of various flow parameters. The numerical scheme was simulated with aid of MATLAB. The results showed that increasing the squeeze number only boosts velocity and concentration while lowering temperature. Conversely, increasing the Hartmann number, Reynold’s magnetic number, Eckert number and Thermal Grashof number generally increases temperature but decreases both velocity and concentration. Chemical reaction rate and Soret number solely elevate concentration while Schmidt number only reduces it. The results of this study will be useful in the fields of oil and gas industry, plastic processing industries, filtration, food processing, lubrication system in machinery, Microfluidics devices for drug delivery and other related fields of nanotechnology.

Chemically Radiative MHD Flow of a Micropolar Nanofluid over a Stretching/ Shrinking Sheet with a Heat Source or Sink

This study examines the behavior of a micropolar nanofluidflowing over a sheet in the presence of a transverse magneticfield and thermal effects.In addition,chemical(first-order homogeneous)reactions are taken into account.A similarity transformation is used to reduce the system of governing coupled non-linear partial differ-ential equations(PDEs),which account for the transport of mass,momentum,angular momentum,energy and species,to a set of non-linear ordinary differential equations(ODEs).The Runge-Kutta method along with shoot-ing method is used to solve them.The impact of several parameters is evaluated.It is shown that the micro-rota-tional velocity of thefluid rises with the micropolar factor.Moreover,the radiation parameter can have a remarkable influence on theflow and temperature profiles and on the angular momentum distribution.

Unsteady Hydromagnetic Non-Newtonian Nanofluid Flow Past a Porous Stretching Sheet in the Presence of Variable Magnetic Field and Chemical Reaction

The aim of this study is to examine the unsteady hydromagnetic flow of non-Newtonian nanofluid past a stretching sheet in the presence of variable magnetic field and chemical reaction. The system of non-linear partial differential equations governing the flow was solved using finite difference numerical approximation method. The resulting numerical schemes were simulated in MATLAB software. Furthermore, the skin-friction coefficient, Sherwood number, and Nusselt number have been presented in tabular form and discussed. The findings demonstrated that increasing Reynolds number increases velocity profiles while increasing permeability parameter, suction parameter and angle of inclination for the applied magnetic field reduces the velocity profiles of the fluid flow. Temperature of the fluid increases as the angle of inclination, magnetic number, Reynolds number and Eckert number increase but decreases as Prandtl number increases. Induced magnetic field profiles decrease as magnetic Prandtl number and suction parameter increase. Concentration profiles decrease as the chemical reaction parameter and Schmidt number increase but increase as the Soret number increases. The study is significant because fluid flow and heat transfer mechanisms with the variable magnetic considerations play an important role in magnetohydrodynamic generator or dynamo and magnetohydrodynamic pumps, nuclear reactors, vehicle thermal control, heat exchangers, cancer therapy, wound treatment and hyperthermia.

Numerical Comparison of Stagnation Point Casson Fluid Stream over Flat and Cylindrical Surfaces with Joule Heating and Chemical Reaction Impacts

In this particular study,we have considered the flow of Casson fluid over inclined flat and cylindrical surfaces,and have conducted a numerical analysis taking into account various physical factors such as mixed convection,stagnation point flow,MHD,thermal radiation,viscous dissipation,heat generation,Joule heating effect,variable thermal conductivity and chemical reaction.Flow over flat plate phenomena is observed aerospace industry,and airflow over solar panels,etc.Cylindrical surfaces are commonly used in several applications interacting with fluids,such as bridges,cables,and buildings,so the study of fluid flow over cylindrical surfaces is more important.Due to the motivation of these applications,in this paper,a comparative study of fluid flow over these two surfaces is considered.By applying appropriate similarity transformations,the governing PDEs of the problem have been transformed into non-linear ODEs,which are solved by utilizing the Keller box technique.We have examined the impact of distinct parameters by plotting velocity and thermal concentration graphs.All the profiles are plotted in both cases of cylindrical and inclined flat surface.It has been observed that for higher Casson and Magnetic parameter values,a decreasing velocity profile is noted for progressive values of the Eckert Number,thermal conductivity parameter,Joule heating parameter,heat generation,and growth in temperature profiles are witnessed.While the Prandtl number shows the opposite trend.Further,it has been observed that the concentration profile declines for incremental observations of Schmidt number and chemical reaction parameters.Computed Local parameters like the coefficient of skin friction for various values of Casson parameter and Curvature parameter,Skin friction value increases for increasing observations of Curvature parameter the phenomena agree with existing literature.Also,Nusselt number is calculated for various observations of curvature and variable thermal conductivity parameters.Nusselt number decreases in magnitude with rising observations of varying thermal conductivity argument at both flat and cylindrical surfaces.The values are matched with prevailing results and noted a good agreement.

Review on Chemical Stability of Lead Halide Perovskite Solar Cells

Lead halide perovskite solar cells(PSCs) have become a promising next-generation photovoltaic technology due to their skyrocketed power conversion efficiency. However, the device stability issues may restrict their commercial applications, which are dominated by various chemical reactions of perovskite layers. Hence, a comprehensive illustration on the stability of perovskite films in PSCs is urgently needed. In this review article, chemical reactions of perovskite films under different environmental conditions(e.g., moisture,oxygen, light) and with charge transfer materials and metal electrodes are systematically elucidated. Effective strategies for suppressing the degradation reactions of perovskites, such as buffer layer introduction and additives engineering,are specified. Finally, conclusions and outlooks for this field are proposed. The comprehensive review will provide a guideline on the material engineering and device design for PSCs.

Uniform deposition of ultra-thin TiO_(2) film on mica substrate by atmospheric pressure chemical vapor deposition: Effect of precursor concentration

The performance of pearlescent pigment significantly affected by the grain size and the roughness of deposited film. The effect of TiCl_(4) concentration on the initial deposition of TiO_(2) on mica by atmospheric pressure chemical vapor deposition(APCVD) was investigated. The precursor concentration significantly affected the deposition and morphology of TiO_(2) grains assembling the film. The deposition time for fully covering the surface of mica decreased from 120 to 10 s as the TiCl_(4) concentration increased from 0.38%to 2.44%. The grain size increased with the TiCl_(4) concentration. The AFM and TEM analysis demonstrated that the aggregation of TiO_(2) clusters at the initial stage finally result to the agglomeration of fine TiO_(2) grains at high TiCl_(4) concentrations. Following the results, it was suggested that the nucleation density and size was easy to be adjusted when the TiCl_(4) concentration is below 0.90%.

Scalable solid-phase synthesis of defect-rich graphene for oxygen reduction electrocatalysis

Defect-engineered carbon materials have been emerged as promising electrocatalysts for oxygen reduction reaction(ORR)in metal-air batteries.Developing a facile strategy for the preparation of highly active nanocarbon electrocatalysts remains challenging.Herein,a low-cost and simple route is developed to synthesize defective graphene by pyrolyzing the mixture of glucose and carbon nitride.Molecular dynamics simulations reveal that the graphene formation is ascribed to two-dimensional layered feature of carbon nitride,and high compatibility of carbon nitride/glucose systems.Structural measurements suggest that the graphene possesses rich edge and topological defects.The graphene catalyst exhibits higher power density than commercial Pt/C catalyst in a primary Zn-air battery.Combining experimental results and theoretical thermodynamic analysis,it is identified that graphitic nitrogen-modified topological defects at carbon framework edges are responsible for the decent ORR performance.The strategy presented in this work can be can be scaled up readily to fabricate defective carbon materials.

Chemical looping oxidative propane dehydrogenation controlled by oxygen bulk diffusion over FeVO_(4)oxygen carrier pellets

The oxygen distribution and evolution within the oxygen carrier exert significant influence on chemical looping processes.This paper describes the influence of oxygen bulk diffusion within FeVO4 oxygen carrier pellets on the chemical looping oxidative propane dehydrogenation(CL-ODH).During CL-ODH,the oxygen concentration at the pellet surface initially decreased and then maintained stable before the final decrease.At the stage with the stable surface oxygen concentration,the reaction showed a stable C3H6 formation rate and high C3H6 selectivity.Therefore,based on Fick’s second law,the oxygen distribution and evolution in the oxygen carrier at this stage were further analyzed.It was found that main reactions of selective oxidation and over-oxidation were controlled by the oxygen bulk diffusion.C3H8 conversion rate kept decreasing during this stage due to the decrease of the oxygen flux caused by the decline of oxygen gradient within the oxygen carrier,while C3H6 selectivity increased due to the decrease of overoxidation.In addition,reaction rates could increase with the propane partial pressure due to the increase of the oxygen gradient within the oxygen carrier until the bulk transfer reached its limit at higher propane partial pressure.This study provides fundamental insights for the diffusion-controlled chemical looping reactions.

Influence of Thermophoresis and Brownian Motion of Nanoparticles on Radiative Chemically-Reacting MHD Hiemenz Flow over a Nonlinear Stretching Sheet with Heat Generation

In this study,a radiative MHD stagnation point flow over a nonlinear stretching sheet incorporating thermophoresis and Brownian motion is considered.Using a similarity method to reshape the underlying Partial differential equations into a set of ordinary differential equations(ODEs),the implications of heat generation,and chemical reaction on the flow field are described in detail.Moreover a Homotopy analysis method(HAM)is used to interpret the related mechanisms.It is found that an increase in the magnetic and velocity exponent parameters can damp the fluid velocity,while thermophoresis and Brownian motion promote specific thermal effects.The results also demonstrate that as the Brownian motion parameter is increased,the concentration values become smaller.

A study of fire propagation in coal seam with numerical simulation of heat transfer and chemical reaction rate in mining field

Spontaneous combustion of coal is a problem that affects the mining operation and generates environ-mental,economic,social and geotechnical impacts.This phenomenon has been divided into two pro-cesses:ignition and propagation.Fire propagation develops in coal seams because of a set of factors such as direction and wind speed,fracturing and temperature.In this work,heat transfer and chemical kinetics are studied from conservation equations of energy and species,respectively,using the software COMSOL Multiphysics to simulate the propagation of fires in coal seams.Two possible scenarios were analyzed that usually occur in the walls of the coal seams,such as fire focus and fire complete screens.It was found that the propagation kinetics of the fire changes depending on the temperature,the fractur-ing of rock mass and the area of fire influence.For temperature values lower than 300℃,there is con-sumption around 250 cm^3/h,values around 700℃,the consumption is 1500 cm^3/h,and for fires of 1200℃ have values of 3000 cm^3/h.Depending on the speed of propagation can vary from 4 to 17cm/day,considering on the level and fracturing of the final wall of the open pit.

The application of reed-vibration mechanical spectroscopy for liquids to detect chemical reactions of an acrylic structural adhesive

There remain a number of unsolved problems about chemical reactions, and it is significant to explore new detection methods because they always offer some unique information about reactions from new points of view. For the first time, the solidification course of a modified two-component acrylic structural adhesive is measured by using reed-vibration mechanical spectroscopy for liquids （RMS-L） in this work, and results show that there are four sequential processes of mechanical spectra with time. The in-depth analyses indicate that RMS-L can detect in real-time the generation and disappearance of active free radicals, as well as the chemical cross-link processes in the adhesive. This kind of real-time detection will undoubtedly facilitate the study of the chemical reaction dynamics controlled by free radicals.

Numerical simulation of hydrothermal mineralization associated with simplified chemical reactions in Kaerqueka polymetallic deposit, Qinghai, China

The Kaerqueka polymetallic deposit, Qinghai, China, is one of the typical skarn-type polymetallic ore deposits in the Qimantage metallogenic belt. The dynamic mechanism on the formation of the Kaerqueka polymetallic deposit is always an interesting topic of research. We used the finite difference method to model the mineralizing process of the chalcopyrite in this region with considering the field geological features, mineralogy and geochemistry. In particular, the modern mineralization theory was used to quantitatively estimate the related chemical reactions associated with the chalcopyrite formation in the Kaerqueka polymetallic deposit. The numerical results indicate that the hydrothermal fluid flow is a key controlling factor of mineralization in this area and the temperature gradient is the driving force of pore-fluid flow. The metallogenic temperature of chalcopyrite in the Kaerqueka polymetallic deposit is between 250 and 350 ℃. The corresponding computational results have been verified by the field observations. It has been further demonstrated that the simulation results of coupled models in the field of emerging computational geosciences can enhance our understanding of the ore-forming processes in this area.

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.

A new reaction system to determine nonlinear chemical fingerprint and its use in Panax ginseng identification method based on double reaction system

A new reaction system to determine nonlinear chemical fingerprint(NCF)and its use in identification method based on double reaction system was researched.Panax ginsengs,such as ginseng,American ginseng and notoginseng were identified by the method.The NCFs of the three samples of Panax ginsengs were determined through two nonlinear chemical systems,namely system 1 consisting of sample components,H2SO4,MnSO4,NaBrO3,acetone and the new system,system 2 consisting of sample components,H2SO4,(NH4)4Ce(SO4)2,NaBrO3 and citric acid.The comparison between the results determined through systems 1 and 2 shows that the speed to determine NCF through system 2 is much faster than that through system 1;for systems 1 and 2,the system similarities of the same kind of samples are≥98.09%and 99.78%,respectively,while those of different kinds of samples are≤63.04%and 86.34%,respectively.The results to identify the kinds of some samples by system similarity pattern show that both the accuracies of identification methods based on single system 1 and 2 are≥95.6%,and the average values are 97.1%and 96.3%,respectively;the accuracy of the method based on double system is≥97.8%,and the average accuracy is 99.3%.The accuracy of the method based on double system is higher than that based on any single system.

Effects of chemical reactions on MHD micropolar fluid flow past a vertical plate in slip-flow regime

Heat and mass transfer effects on the unsteady flow of a micropolar fluid through a porous medium bounded by a semi-infinite vertical plate in a slip-flow regime are studied taking into account a homogeneous chemical reaction of the first order. A uniform magnetic field acts perpendicular to the porous surface absorb micropolar fluid with a suction velocity varying with time. The free stream velocity follows an exponentially increasing or decreasing small perturbation law. Using the approximate method, the expressions for the velocity microrotation, temperature, and concentration are obtained. Futher, the results of the skin friction coefficient, the couple stress coefficient, and the rate of heat and mass transfer at the wall are presented with various values of fluid properties and flow conditions.