Molecular dynamics simulation of the flow mechanism of shear-thinning fluids in a microchannel

Shear-thinning fluids have been widely used in microfluidic systems,but their internal flow mechanism is still unclear.Therefore,in this paper,molecular dynamics simulations are used to study the laminar flow of shear-thinning fluid in a microchannel.We validated the feasibility of our simulation method by evaluating the mean square displacement and Reynolds number of the solution layers.The results show that the change rule of the fluid system's velocity profile and interaction energy can reflect the shear-thinning characteristics of the fluids.The velocity profile resembles a top-hat shape,intensifying as the fluid's power law index decreases.The interaction energy between the wall and the fluid decreases gradually with increasing velocity,and a high concentration of non-Newtonian fluid reaches a plateau sooner.Moreover,the velocity profile of the fluid is related to the molecule number density distribution and their values are inversely proportional.By analyzing the radial distribution function,we found that the hydrogen bonds between solute and water molecules weaken with the increase in velocity.This observation offers an explanation for the shear-thinning phenomenon of the non-Newtonian flow from a micro perspective.

Numerical Simulation of the Settling Flux of Biodeposition in a Bay with Cage Culture Through Similarity Theory and a Simplified Pollution Source

The settling flux of biodeposition affects the environmental quality of cage culture areas and determines their environmental carrying capacity.Simple and effective simulation of the settling flux of biodeposition is extremely important for determining the spatial distribution of biodeposition.Theoretically,biodeposition in cage culture areas without specific emission rules can be simplified as point source pollution.Fluent is a fluid simulation software that can simulate the dispersion of particulate matter simply and efficiently.Based on the simplification of pollution sources and bays,the settling flux of biodeposition can be easily and effectively simulated by Fluent fluid software.In the present work,the feasibility of this method was evaluated by simulation of the settling flux of biodeposition in Maniao Bay,Hainan Province,China,and 20 sampling sites were selected for determining the settling fluxes.At sampling sites P1,P2,P3,P4,P5,Z1,Z2,Z3,Z4,A1,A2,A3,A4,B1,B2,C1,C2,C3 and C4,the measured settling fluxes of biodeposition were 26.02,15.78,10.77,58.16,6.57,72.17,12.37,12.11,106.64,150.96,22.59,11.41,18.03,7.90,19.23,7.06,11.84,5.19 and 2.57 g d^(−1)m^(−2),respectively.The simulated settling fluxes of biodeposition at the corresponding sites were 16.03,23.98,8.87,46.90,4.52,104.77,16.03,8.35,180.83,213.06,39.10,17.47,20.98,9.78,23.25,7.84,15.90,6.06 and 1.65 g d^(−1)m^(−2),respectively.There was a positive correlation between the simulated settling fluxes and measured ones(R=0.94,P=2.22×10^(−9)<0.05),which implies that the spatial differentiation of biodeposition flux was well simulated.Moreover,the posterior difference ratio of the simulation was 0.38,and the small error probability was 0.94,which means that the simulated results reached an acceptable level from the perspective of relative error.Thus,if nonpoint source pollution is simplified to point source pollution and open waters are simplified based on similarity theory,the setting flux of biodeposition in the open waters can be simply and effectively simulated by the fluid simulation software Fluent.

Coupled Numerical Simulation of Electromagnetic and Flow Fields in a Magnetohydrodynamic Induction Pump

Magnetohydrodynamic(MHD)induction pumps are contactless pumps able to withstand harsh environments.The rate of fluid flow through the pump directly affects the efficiency and stability of the device.To explore the influence of induction pump settings on the related delivery speed,in this study,a numerical model for coupled electromagnetic and flow field effects is introduced and used to simulate liquid metal lithium flow in the induction pump.The effects of current intensity,frequency,coil turns and coil winding size on the velocity of the working fluid are analyzed.It is shown that the first three parameters have a significant impact,while changes in the coil turns have a negligible influence.The maximum increase in working fluid velocity within the pump for the parameter combination investigated in this paper is approximately 618%.As the frequency is increased from 20 to 60 Hz,the maximum increase in the mean flow rate of the working fluid is approximately 241%.These research findings are intended to support the design and optimization of these devices.

基于Flow-Simulation的气液分离器设计仿真分析研究

为解决燃气发电机组瓦斯气源含水量高的问题,对燃气发电机组气液分离器进行了设计与仿真分析。首先根据功能要求进行气液分离器设计参数计算,用Solidworks三维建模,然后利用Flow-Simulation进行CFD流体动力学仿真,得到气液分离器内的压力云图、速度云图和运动轨迹图;从压力云图中看出压力损失为784 Pa,能够满足压力损失≤1 kPa的要求。后经现场试验气液分离器分离效率达到93.6%,有效地提高了燃气发电机组的发电效率。该款设计优化后的旋风式气液分离器能够满足设计使用要求。

Fluid simulation of the effect of a dielectric window with high temperature on plasma parameters in inductively coupled plasma

To maintain the high-density plasma source in inductively coupled plasma(ICP),very high radiofrequency power is often delivered to the antenna,which can heat the dielectric windows near the antenna to high temperature.This high temperature can modulate the plasma characteristics to a large degree.We thus study the effect of dielectric window temperature on plasma parameters in two different ICP structures based on COMSOL software.The distributions of various plasma species are examined at different dielectric window temperatures.The concentration of neutral gas is found to be largely modulated at high dielectric window temperature,which further affects the electron collision probability with neutrals and the electron temperature.However,the electron density profiles are barely affected by the dielectric window temperature,which is mainly concentrated at the center of the reactor due to the fixed power input and pressure.

Full Dynamic Model for Liquid Sloshing Simulation in Cylindrical Tank Shape

This study presents a comprehensive full dynamic model designed for simulating liquid sloshing behavior within cylindrical tank structures. The model employs a discretization approach, representing the liquid as a network of interconnected spring-damper-mass systems. Key aspects include the adaptation of liquid discretization techniques to cylindrical lateral cross-sections and the calculation of stiffness and damping coefficients. External forces, simulating various vehicle maneuvers, are also integrated into the model. The resulting system of equations is solved using Maple Software with the Runge-Kutta-Fehlberg method. This model enables accurate prediction of liquid displacement and pressure forces, offering valuable insights for tank design and fluid dynamics applications. Ongoing refinement aims to broaden its applicability across different liquid types and tank geometries.

A laboratory acoustic emission experiment and numerical simulation of rock fracture driven by a high-pressure fluid source

In order to improve our understanding of rock fracture and fault instability driven by high-pressure fluid sources, the authors carried out rock fracture tests using granite under a confining pressure of 80 MPa with fluid injection in the laboratory. Furthermore, we tested a number of numerical models using the FLAC;modeling software to find the best model to represent the experimental results. The high-speed multichannel acoustic emission（AE） waveform recording system used in this study made it possible to examine the total fracture process through detailed monitoring of AE hypocenters and seismic velocity.The experimental results show that injecting high-pressure oil into the rock sample can induce AE activity at very low stress levels and can dramatically reduce the strength of the rock. The results of the numerical simulations show that major experimental results, including the strength, the temporal and spatial patterns of the AE events, and the role of the fluid can be represented fairly well by a model involving（1） randomly distributed defect elements to model pre-existing cracks,（2） random modification of rock properties to represent inhomogeneity introduced by different mineral grains, and（3）macroscopic inhomogeneity. Our study, which incorporates laboratory experiments and numerical simulations, indicates that such an approach is helpful in finding a better model not only for simulating experimental results but also for upscaling purposes.

Numerical Simulation of Fluid Migration during Ore Formation of Carboniferous Exhalation-Sedimentary Massive Sulfide Deposits in the Tongling District, Anhui Province

Numerical simulation of fluid migration during the ore-forming process of the Carboniferous exhalation- sedimentary (Sedex) massive sulfide deposits in the Tongling district shows that fluid and thermal activities in lying-wall rocks were limited to a small area around the main draining passage, which led to weak mineralization and alteration in the lying-wall rock. Temperature and fluid fields indicate that mineralization and alteration in the lying-wall rock of the Sedex-type deposits are usually weaker than those of volcano-hosted massive sulfide deposits. Fluid migration involves the following processes: seawater penetrating and leaching the lying-wall rocks, then mixing with ascending hydrothermal fluids in the main draining passage, and finally jetting into seafloor. Although fluid activity-influenced area is rather small, the content of metals leached out from the lying-wall rocks is high enough to form large-scale ore deposits. Tensional contemporaneous faults accompanied with strong heat flows controlled the formation and distribution of Sedex deposits. The tensional tectonic regime on the northern margin of the Yangtze block during the Hercynian provided Sedex deposits with a prerequisite geodynamic condition.

Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance

In modern chemical engineering processes, solid interface involvement is the most important component of process intensification techniques, such as nanoporous membrane separation and heterogeneous catalysis. The fundamental mechanism underlying interfacial transport remains incompletely understood given the complexity of heterogeneous interfacial molecular interactions and the high nonideality of the fluid involved. Thus, understanding the effects of interface-induced fluid microstructures on flow resistance is the first step in further understanding interfacial transport. Molecular simulation has become an indispensable method for the investigation of fluid microstructure and flow resistance. Here, we reviewed the recent research progress of our group and the latest relevant works to elucidate the contribution of interface-induced fluid microstructures to flow resistance.We specifically focused on water, ionic aqueous solutions, and alcohol–water mixtures given the ubiquity of these fluid systems in modern chemical engineering processes. We discussed the effects of the interfaceinduced hydrogen bond networks of water molecules, the ionic hydration of ionic aqueous solutions, and the spatial distributions of alcohol and alcohol–water mixtures on flow resistance on the basis of the distinctive characteristics of different fluid systems.

COMPUTATIONAL FLUID DYNAMICS(CFD) SIMULATIONS OF DRAG REDUCTION WITH PERIODIC MICRO-STRUCTURED WALL

Computational fluid dynamics（CFD） simulations are adopted to investigate rectangular microchannel flows with various periodic micro-structured wall by introducing velocity slip boundary condition at low Reynolds number. The purpose of the current study is to numerically find out the effects of periodic micro-structured wall on the flow resistance in rectangular microchannel with the different spacings between microridges ranging from 15 to 60 pm. The simulative results indicate that pressure drop with different spacing between microridges increases linearly with flow velocity and decreases monotonically with slip velocity; Pressure drop reduction also increases with the spacing between microridges at the same condition of slip velocity and flow velocity. The results of numerical simulation are compared with theoretical predictions and experimental results in the literatures. It is found that there is qualitative agreement between them.

Fast and Stable Surface Feature Simulation for Particle-Based Fluids

In order to efficiently and realistically capture microscopic features of fluid surface,a fast and stable surface feature simulation approach for particle-based fluids is presented in this paper.This method employs a steady tension and adhesion model to construct surface features with the consideration of the adsorption effect of fluid to solid.Molecular cohesion and surface area minimization are appended for surface tension,and adhesion is added to better show the microscopic characteristics of fluid surface.Besides,the model is integrated to an implicit incompressible smoothed particle hydrodynamics(SPH)method to improve the efficiency and stability of simulation.The experimental results demonstrate that the method can better simulates surface features in a variety of scenarios stably and efficiently.

Computational fluid dynamics simulations of respiratory airflow in human nasal cavity and its characteristic dimension study

To study the airflow distribution in human nasal cavity during respiration and the characteristic parameters of nasal structure, three-dimensional, anatomically accurate representations of 30 adult nasal cavity models were recons- tructed based on processed tomography images collected from normal people. The airflow fields in nasal cavities were simulated by fluid dynamics with finite element software ANSYS. The results showed that the difference of human nasal cavity structure led to different airflow distribution in the nasal cavities and variation of the main airstream passing through the common nasal meatus. The nasal resistance in the regions of nasal valve and nasal vestibule accounted for more than half of the overall resistance. The characteristic model of nasal cavity was extracted on the basis of characteristic points and dimensions deduced from the original models. It showed that either the geometric structure or the airflow field of the two kinds of models was similar. The characteristic dimensions were the characteristic parameters of nasal cavity that could properly represent the original model in model studies on nasal cavity.

Physical simulation of fluid flow and production performance in extra-low permeability porous media

For extra-low permeability reservoirs, with a permeability of about 0.3×10?3 μm2, fluid flow and production performance in cores were studied. A long core holder with a multi-location piezometric measurement was specially designed. An artificial long core, about 700 mm long and with a cross section of 45mm×45mm, was used. In the experiment, pressure distribution along the core can be measured in real time. Single phase flow in the core was investigated. Different modes of production in long cores were also simulated including natural depletion, water flooding, and advanced water flooding. Through physical simulation, flow parameters were collected and production characteristics in extra-low permeability cores were studied. From experimental results, it can be seen that fluid flow in extra-low permeability cores is different from that in high permeability cores. Transmission of pressure in extra-low permeability cores is very slow, and it needs a long time for the pressure to become stable. The distribution curve of pressure along the core is nonlinear and the production rate in extra-low permeability reservoirs decreases sharply. The development effects of different production modes in extra-low permeability cores were compared with one another. Among the production modes, advanced water flooding has much potential for effective development of extra-low permeability reservoirs. Natural depletion and conventional water flooding can also be used in early production periods. In addition, the countermeasures and some ideas especially for the potential development of extra-low permeability reservoirs are suggested.

Validation of the numerical simulation of fluid flow in the continuous casting tundish

The 3-dimensional fluid flow in a water model of the continuous casting tundish is simulated with the k-ε two-equation turbulence model. The methods to decide the size of wall-adjacent grids and the effects of residuals and mesh size on the simulation accuracy are discussed. The current investigation concludes that the following condition should be satisfied to get accurate enough simulation results: (1) If the dimension of the domain is in the order of cubic meters, the average size of cells in the mesh system should be at least smaller than 30 mm; (2) The normalized non-scaled residual should be reached at least smaller than 10-4.

Numerical Simulation of Fluid Flow and Heat Transfer in Funnel Shaped Mold of Thin Slab Continuous Caster

Thin slab casting is used widely in the world. The control of molten steel flow and solidification in the mold is difficult due to the high casting speed and complicated configuration of the mold. Numerical simulation was carried out to study the fluid flow and heat transfer in the funnel shaped mold. The influence of nozzle design, casting speed and nozzle submersion depth on the flow and temperature fields in the mold was investigated, and guidance for selecting configurations of submerged nozzle was obtained.

Research on process modeling and simulation of spent lead paste desulfurization enhanced reactor

In the reaction process of carbonate desulfurization lead paste,the produced PbCO_(3) is easily wrapped in the outer periphery of PbSO_(4) to form a product layer,hindering the mass transfer process.Therefore,it is necessary to break the PbCO_(3) product layer.In this work,the rotor stator-reinforced reactor was selected as the enhanced desulfurization reactor for the purpose of breaking the PbCO_(3) product layer and promoting mass transfer.The breakage process of the PbCO_(3) product layer generated during the PbSO_(4) desulfurization was modeled.Computational fluid dynamics simulation to the rotation conditions was carried out to theoretically analyze the fluid flow characteristics of PbSO_(4) slurry and the wall shear stress affecting the breakage of PbCO_(3) product layer.By optimizing the rotation conditions,the distribution ratio of effective rotor wall shear stress range achieved 96.1%,and the stator wall shear stress range reached 99.15%under a rotation of 2000 r·min^(-1).The research work provides a reference for analysis of the mechanism of product layer breakage in the PbSO_(4) desulfurization process,and gives a clear and intuitive systematic study on the fluid flow characteristics and wall shear stress of the desulfurization reactor.

Computational fluid dynamic simulation of gas-liquid flow in rotating packed bed:A review

The rotating packed bed(RPB)has been widely used in gas-liquid flow systems as a process intensification device,exhibiting excellent mass transfer enhancement characteristics.However,the complex internal structure and the high-speed rotation of the rotor in RPB bring significant challenges to study the intensification mechanism by experiment methods.In the past two decades,Computational fluid dynamics(CFD)has been gradually applied to simulate the hydrodynamics and mass transfer characteristics in RPB and instruct the reactor design.This article covers the development of the CFD simulation of gasliquid flow in RPB.Firstly,the improvement of the simulation method in the aspect of mathematical models,geometric models,and solving methods is introduced.Secondly,new progress of CFD simulation about hydrodynamic and mass transfer characteristics in RPB is reviewed,including pressure drop,velocity distribution,flow pattern,and concentration distribution,etc.Some new phenomena such as the end effect area with the maximum turbulent have been revealed by this works.In addition,the exploration of developing new reactor structures by CFD simulation is introduced and it is proved that such new structures are competitive to different applications.The defects of current research and future development directions are also discussed at last.

Physics-informed neural network-based petroleum reservoir simulation with sparse data using domain decomposition

Recent advances in deep learning have expanded new possibilities for fluid flow simulation in petroleum reservoirs.However,the predominant approach in existing research is to train neural networks using high-fidelity numerical simulation data.This presents a significant challenge because the sole source of authentic wellbore production data for training is sparse.In response to this challenge,this work introduces a novel architecture called physics-informed neural network based on domain decomposition(PINN-DD),aiming to effectively utilize the sparse production data of wells for reservoir simulation with large-scale systems.To harness the capabilities of physics-informed neural networks(PINNs)in handling small-scale spatial-temporal domain while addressing the challenges of large-scale systems with sparse labeled data,the computational domain is divided into two distinct sub-domains:the well-containing and the well-free sub-domain.Moreover,the two sub-domains and the interface are rigorously constrained by the governing equations,data matching,and boundary conditions.The accuracy of the proposed method is evaluated on two problems,and its performance is compared against state-of-the-art PINNs through numerical analysis as a benchmark.The results demonstrate the superiority of PINN-DD in handling large-scale reservoir simulation with limited data and show its potential to outperform conventional PINNs in such scenarios.

Numerical simulation of fluid flow in a reheating furnace with multi-swirling-burners

A general numerical simulating program for three-dimensional (3-D) andtime-dependent fluid flow for a reheating furnace with multi-swirling-burners has been developedbased upon an arbitrary Lagrangian-Eulerian scheme (ALE) with the finite volume method. Theparameters of fluid flow in a reheating furnace with multi-swirling-burners was calculated and the3-D velocity distributions were obtained. The design of the burners was optimized for forming betterswirling flow. The simulation shows that the fluid flow in the reheating furnace with the optimizedburners is reasonable.

Molecular simulations of charged complex fluids: A review

Molecular simulation plays an increasingly important role in studying the properties of complex fluid systems containing charges,such as ions,piezoelectric materials,ionic liquids,ionic surfactants,polyelectrolytes,zwitterionic materials,nucleic acids,proteins,biomembranes and etc.,where the electrostatic interactions are of special significance.Several methods have been available for treating the electrostatic interactions in explicit and implicit solvent models.Accurate and efficient treatment of such interactions has therefore always been one of the most challenging issues in classical molecular dynamics simulations due to their inhomogeneity and long-range characteristics.Currently,two major challenges remain in the application field of electrostatic interactions in molecular simulations;(i)improving the representation of electrostatic interactions while reducing the computational costs in molecular simulations;(ii)revealing the role of electrostatic interactions in regulating the specific properties of complex fluids.In this review,the calculation methods of electrostatic interactions,including basic principles,applicable conditions,advantages and disadvantages are summarized and compared.Subsequently,the specific role of electrostatic interactions in governing the properties and behaviors of different complex fluids is emphasized and explained.Finally,challenges and perspective on the computational study of charged systems are given.