Recent progress on the discrete element method simulations for powder transport systems: A review

Powder transport systems are ubiquitous in various industries, where they can encounter single powder flow, two-phase flow with solids carried by gas or liquid, and gas–solid–liquid three-phase flow. System geometry, operating conditions, and particle properties have significant impacts on the flow behavior, making it difficult to achieve good transportation of granular materials. Compared to experimental trials and theoretical studies, the numerical approach provides unparalleled advantages over the investigation and prediction of detailed flow behavior, of which the discrete element method (DEM) can precisely capture complex particle-scale information and attract a plethora of research interests. This is the first study to review recent progress in the DEM and coupled DEM with computational fluid dynamics for extensive powder transport systems, including single-particle, gas–solid/solid–liquid, and gas–solid–liquid flows. Some important aspects (i.e., powder electrification during pneumatic conveying, pipe bend erosion, non-spherical particle transport) that have not been well summarized previously are given special attention, as is the application in some new-rising fields (ocean mining, hydraulic fracturing, and gas/oil production). Studies involving important large-scale computation methods, such as the coarse grained DEM, graphical processing unit-based technique, and periodic boundary condition, are also introduced to provide insight for industrial application. This review study conducts a comprehensive survey of the DEM studies in powder transport systems.     

An analytical model for gas leakage through contact interface in proton exchange membrane fuel cells

Sealing performance between two contacting surfaces is of significant importance to stable operation of proton exchange membrane (PEM) fuel cells. In this work, an analytical micro-scale approach is first established to predict the gas leakage in fuel cells. Gas pressure and uneven pressure distribution at the interface are also included in the model. At first, the micro tortuous leakage path at the interface is constructed by introducing contact modelling and fractal porous structure theory. In order to obtain the leakage at the entire surface, contact pressure distribution is predicted based on bonded elastic layer model. The gas leakage through the discontinuous interface can be obtained with consideration of convection and diffusion. Then, experiments are conducted to validate the numerical model, and good agreement is obtained between them. Finally, influences of surface topology, gasket compression and gasket width on leakage are studied based on the model. The results show that gas leakage would be greatly amplified when the asperity standard deviation of surface roughness exceeds 1.0 μm. Gaskets with larger width and smaller thickness are beneficial to sealing performance. The model is helpful to understand the gas leakage behavior at the interface and guide the gasket design of fuel cells.     

超临界机组发生FAC的因素及相互关系分析

为了减轻因流动加速腐蚀(FAC)引起的锅炉结垢加速、汽水系统管道厚度减小甚至爆裂现象，对超临界机组发生流动加速腐蚀的机理及其主要影响因素进行了研究，并讨论了管壁内表面粗糙度、蒸汽含汽率、pH值、溶氧量对FAC的影响，以及温度与pH值、温度与流速、pH值与溶解氧量、溶解氧量与氢电导率等影响因素之间的相互作用关系，最后结合实际电厂的运行数据验证了分析结果。研究表明：减小工质流速、管壁粗糙度和氢电导率，增大给水的pH值和溶解氧含量可以使FAC的腐蚀速率减小，超临界加氧处理时pH值应在8.9～9.2之间，溶解氧量范围为45～100μg/L,氢电导率的期望值在0.1μS/cm以下。由于各影响因素之间的作用十分复杂，本文只给出了大致范围和趋势，并未给出准确数据。     

Hall current effects on MHD flow of chemically reacting fluid through a porous medium with heat source

We considered the magnetohydrodynamic (MHD) free convective flow of an incompressible electrically conducting viscous fluid past an infinite vertical permeable porous plate with a uniform transverse magnetic field, heat source and chemical reaction in a rotating frame taking Hall current effects into account. The momentum equations for the fluid flow during absorbent medium are controlled by the Brinkman model. Through the undisturbed state, both the plate and fluid are in a rigid body rotation by the uniform angular velocity perpendicular to an infinite vertical plate. The perpendicular surface is subject to the homogeneous invariable suction at a right angle to it and the heat on the surface varies about a non-zero unvarying average whereas the warmth of complimentary flow is invariable. The systematic solutions of the velocity, temperature, and concentration distributions are acquired systematically by utilizing the perturbation method. The velocity expressions consist of steady-state and fluctuating situations. It is revealed that the steady part of the velocity field has a three-layer characteristic while the oscillatory part of the fluid field exhibits a multi-layer characteristic. The influence of various governing flow parameters on the velocity, temperature, and concentration are analyzed graphically. We also discuss computational results for the skin friction, Nusselt number, and Sherwood number in the tabular forms.     

Molecular dynamics study of interfacial load transfer capability in amorphous SiOx films deposited on alumina surfaces

Effective adhesion between AlO_x and SiO_x is important for protective coatings and high-k films under extreme operating conditions. Here, we study the chemo-mechanical behavior of the AlO_x/SiO_x interface and its delamination mechanism using all-atom reactive molecular dynamics simulations. The structure of the interface is examined by the formation of bridge oxygen and the distribution of nanopores. The cleavage of ionic bonds during delamination and the resulting adhesion strength of the system are quantified using pull-out simulations. The results reveal the dependence of the nanopores and ionic bond formation on the oxide structure. The ionic bond density at the interface increases as the oxidation of the aluminum surface proceeds, which directly increases the adhesion strength with SiO_x. In particular, the global coordination distribution in the homogeneously grown oxide inhibits the formation of nanopores inside the aluminum substrate and contributes to extremely high adhesion strength. This reveals a fundamental relationship between physicochemical parameters and engineering mechanics for hetero-oxide structure design.     

Shock/expansion fan interaction with real gas effects for Earth and Mars atmospheric conditions

Numerical simulations are performed to investigate the real gas effects on shock/expansion fan interaction. Initial perfect gas simulations at low enthalpy capture the flow structures efficiently and outcomes are found to have excellent agreement with the analytical calculations. Furthermore, the simulations with the real gas solver for different enthalpies showed that the variation in enthalpy significantly changes the flow structures. It is observed that an increase in enthalpy leads to a decrease and increase in the postshock and postexpansion fan Mach numbers, respectively. Another important observation is the decrement in the peak pressure ratio with an increment in the enthalpy. These effects are noted to be more pronounced for Mars's environment due to the higher dependency of specific heat on temperature.     

Nonsimilar solution of a boundary layer flow of a Reiner–Philippoff fluid with nonlinear thermal convection

The thermodynamics modeling of a Reiner–Philippoff-type fluid is essential because it is a complex fluid with three distinct probable modifications. This fluid model can be modified to describe a shear-thinning, Newtonian, or shear-thickening fluid under varied viscoelastic conditions. This study constructs a mathematical model that describes a boundary layer flow of a Reiner–Philippoff fluid with nonlinear radiative heat flux and temperature- and concentration-induced buoyancy force. The dynamical model follows the usual conservation laws and is reduced through a nonsimilar group of transformations. The resulting equations are solved using a spectral-based local linearization method, and the accuracy of the numerical results is validated through the grid dependence and convergence tests. Detailed analyses of the effects of specific thermophysical parameters are presented through tables and graphs. The study reveals, among other results, that the buoyancy force, solute and thermal expansion coefficients, and thermal radiation increase the overall wall drag, heat, and mass fluxes. Furthermore, the study shows that amplifying the space and temperature-dependent heat source parameters allows fluid particles to lose their cohesive force and, consequently, maximize flow and heat transfer.     

Impact of viscous dissipation and Dufour on MHD natural convective flow past an accelerated vertical plate with Hall current

The present research work concentrates on viscous dissipation, Dufour, and heat source on an unsteady magnetohydrodynamics natural convective flow of a viscous, incompressible, and electrically conducting fluid past an exponentially accelerated infinite vertical plate in the existence of a strong magnetic field. The presence of the Hall current induces a secondary flow in the problem. The distinguishing features of viscous dissipation and heat flux produced due to gradient of concentration included in the model along with heat source as they are known to arise in thermal-magnetic polymeric processing. The flow equations are discretized implicitly using the finite difference method and solved using MATLAB fsolve routine. Numerical values of the primary and secondary velocities, temperature, concentration, skin friction, Nusselt number, and Sherwood number are illustrated and presented via graphs and tables for various pertinent parametric values. The Dufour effect was observed to strengthen the velocity and temperature profile in the flow domain. In contrast, due to the impact of viscous dissipation, the local Nusselt number reduces. The study also reveals that the inclusion of the chemical reaction term augments the mass transfer rate and diminishes the heat transfer rate at the plate.     

Concentration fluctuation caused by reaction-diffusion coupling near catalytic active sites

The coupling of reaction and diffusion between neighboring active sites in the catalyst pore leads to the spatiotemporal fluctuation in component concentration, which is very important to catalyst performance and hence its optimal design. Molecular dynamics simulation with hard-sphere and pseudo-particle modeling has previously revealed the non-stochastic concentration fluctuation of the reactant/product near isolated active site due to such coupling, using a simple model reaction of A → B in 2D pores. The topic is further developed in this work by studying the concentration fluctuation due to such coupling between neighboring active sites in 3D pores. Two 3D pore models containing an isolated active site and two adjacent active sites were constructed, respectively. For the isolated site, the concentration fluctuation intensifies for larger pores, but the product yield decreases, and for a given pore size, the product yield reaches a peak at a certain reactant concentration. For two neighboring sites, their distance (d) is found to have little effect on the reaction, but significant to the diffusion. For the same reaction competing at both sites, larger d leads to more efficient diffusion and better overall performance. However, for sequential reactions at the two sites, higher overall performance presents at a smaller d. The results should be helpful to the catalyst design and reaction control in the relevant processes.     

Comprehensive numerical investigations on the thermal performance of heat recirculating micro combustor with pin fins for micro-thermal voltaic system applications

Aiming at improving the relatively low energy output and energy conversion efficiency of the micro-thermal voltaic (MTPV) system, an innovative heat recirculating micro combustor with pin fins is designed. The effects of pin fins arrangement, hydrogen/air equivalent ratio on the energy output and performance of CHMC, HMCP and HMCI are compared and investigated. The result shows that when the V_in is 6 m/s and Φ is 1.0, the emitter power of CHMC is 72.76W, and that of HCMP and HCMI micro combustor are 75.99W and 76.35W. and the emitter efficiency of CHMC, HCMP and HCMI is 41.93%, 43.26% and 44.01%. HMCI has better energy output capability compared with CHMC and HMCP. Even though, HMCI brings a higher pressure drop, it is within the acceptable range. When the V_in is 6 m/s, the pressure drop from the pin fins only accounts for 26.4% of the total pressure drop for HMCI. Through the study of equivalent ratio, it is found that HMCI has good adaptability in different equivalent ratio range. This work provides new ideas for the development of MTPV system in the future.