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.     

The social profitability of rural roads in a small open economy: Do urban agglomeration economies matter?

The effects of a rural roads programme depend on labour mobility, how the programme is financed, and agglomeration economies. If financed by a rural poll tax and cross-price effects and agglomeration economies are sufficiently small, the wage will rise, with some return migration. Taxes on trade act as countervailing distortions, yielding urban households some relief. Rural-urban commuting promotes the exploitation of agglomeration economies; taxes on international trade are then inferior to a poll tax. The change in the value, at producer prices, of the rural sector's net supply vector can be a poor measure of the programme's social profitability.     

水力空化改质对重质原油沥青质及性质的影响

利用水力空化过程产生局部的高温、高压、高射流以及强大的剪切力等极端化学物理条件改质处理沙特重质原油，试验结果表明：沙特重质原油经过水力空化改质后粘度由13.61降低至7.22mm2/s，残碳由7.16%降低至6.48%，实沸点蒸馏后减压渣油降低1个百分点。进一步采用APPI FT-IR MS、XRD、FT-IR、SEM和粒度分布等技术研究了水力空化改质对沙重原油分子组成，沥青质团聚体微晶结构、沥青质胶束粒径分布、沥青质官能团、沥青质形貌等方面的影响，从分子角度阐述空化改质重油的机理。研究结果表明：水力空化改质后沙重原油分子量分布、芳烃类化合物缔合作用变小；沥青质对低DBE化合物吸附性能降低；沥青质团聚体微晶结构更加松散；沥青质胶束粒度分布降低；沥青质分子相互团聚作用力减弱。进一步考察了水力空化改质前后减压渣油延迟焦化性能，改质处理后焦炭产率降低1.85个百分点，液体收率和气体产率分别增加1.52和0.33个百分点，水力空化改质对沥青质性质、结构特点的改善能够有效的提高其加工性能。     

Two-dimensional numerical pore-scale investigation of oxygen evolution in proton exchange membrane electrolysis cells

Oxygen blocking the porous transport layer (PTL) increases the mass transport loss, and then limits the high current density condition of proton exchange membrane electrolysis cells (PEMEC). In this paper, a two-dimensional transient mathematical model of anode two-phase flow in PEMEC is established by the fluid volume method (VOF) method. The transport mechanism of oxygen in porous layer is analyzed in details. The effects of liquid water flow velocity, porosity, fiber diameter and contact angle on oxygen pressure and saturation are studied. The results show that the oxygen bubble transport in the porous layer is mainly affected by capillary pressure and follows the transport mechanism of ‘pressurization breakthrough depressurization’. The oxygen bubble goes through three stages of growth, migration and separation in the channel, and then be carried out of the electrolysis cell by liquid water. When oxygen breaks through the porous layer and enters the flow channel, there is a phenomenon that the branch flow is merged into the main stream, and the last limiting throat affects the maximum pressure and oxygen saturation during stable condition. In addition, increasing the liquid water velocity is helpful to bubble separation; changing the porosity and fiber diameter directly affects the width of pore throat and the correlative capillary pressure; increasing porosity, reducing fiber diameter and contact angle can promote oxygen breakthrough and reduce the stable saturation of oxygen.     

煤矿水仓清理新工艺

通过调研现场情况以及检测煤泥特性，探寻一种实用性强、方法简单的新工艺来替代劳累的人工和繁琐的机械清淤，解决现实问题。针对实际情况开发清仓新工艺，介绍了该工艺的技术路线选择、设计依据以及实际应用效果。该新工艺具有降低清仓时间、减轻工人劳动强度、设备操作简单、实用性强等特点。     

Coupling effects of water content,temperature, oxygen density,and polytetrafluoroethylene loading on oxygen transport through ionomer thin film on platinum surface in catalyst layer of proton exchange membrane fuel cell

In this work, coupling effects of water content, temperature, oxygen density, and polytetrafluoroethylene (PTFE) loading on oxygen transport through an ionomer thin film on a platinum surface in a catalyst layer of a proton exchange membrane (PEM) fuel cell are investigated using molecular dynamics approach. Taguchi orthogonal algorithm is employed to comprehensively analyze the coupling effects in a limited number of cases. It is found that the effect of operation temperature is the weakest among the four factors, which has the smallest effect index 14.4. Coupling effects including the PTFE loadings on the oxygen transfer through the ionomer thin film is uncovered. Less PTFE loadings should be beneficial for the oxygen transfer. The chemical potential gradient is considered as the major driven force for the oxygen transport through the ionomer thin film, and oxygen density is the dominating factor, significantly affecting the chemical potential in the thin film.     

Numerical simulation of a PEM fuel cell: Effect of tortuosity parameters on the construction of polarization curves

Fuel cells (PEMFCs) are considered a clean alternative for the production of electricity. To improve their efficiency, it is necessary to understand the transport phenomena that determine their performance. This work analyzes the effective diffusion coefficients in the gas diffusion and catalyst layers (GDL and CL, respectively) based on theories such as effective medium approximation and percolation theory of a 3D multiphase nonisothermal model of a single channel PEMFC. We calculate polarization curves with different effective diffusion models and tortuosity factors m, n using OpenFOAM. The best model that approaches to experimental data is the Tomadakis-Sotirchos model with n = 4.0. The exponent m that represents the tortuosity due to the geometry has a high impact on the polarization curve construction compared to the exponent n. High values of diffusibility do not mean high values of current densities showing that there are other phenomena involved, such as water flooding.     

Thermal transport and chemical conversion in single reacting sorbent particles

The effects of particle size and carbon dioxide concentration on chemical conversion in engineered spherical particles undergoing calcium oxide looping are investigated. Particles are thermochemically cycled in a furnace under different carbon dioxide concentrations. Changes in composition due to chemical reactions are measured using thermogravimetric analysis. Gas composition at the furnace exit is evaluated with mass spectroscopy. A numerical model of thermal transport phenomena developed previously is adapted to match the physical system investigated in the present study. The model is used to elucidate effects of reacting medium characteristics on particle temperature and reaction extent. Experimental and numerical results show that (1) an increase in particle size results in a decrease in carbonation extent, and (2) the carbonation step consists of fast and slow reaction regimes. The reaction rates in the fast and slow carbonation regimes increase with increasing carbon dioxide concentration. The effect of carbon dioxide concentration and the distinction between the fast and slow regimes become more pronounced with increasing particle size.     

Advanced Understanding of the Electron Transfer Pathway of Cytochrome P450s

Cytochrome P450s are heme-thiolate enzymes that participate in carbon source assimilation, natural compound biosynthesis and xenobiotic metabolism in all kingdoms of life. P450s can catalyze various reactions by using a wide range of organic compounds, thus exhibiting great potential in biotechnological applications. The catalytic reactions of P450s are driven by electron equivalents that are sourced from pyridine nucleotides and delivered by cognate or matching redox partners (RPs). The electron transfer (ET) route from RPs to P450s involves one or more redox center-containing domains. As the rate of ET is one of the main determinants of P450 efficacy, an in-depth understanding of the P450 ET pathway should increase our knowledge of these important enzymes and benefit their further applications. Here, the various P450 RP systems along with current understanding of their ET routes will be reviewed. Notably, state-of-the-art structural studies of the two main types of self-sufficient P450 will also be summarized.