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Records with Subject: Modelling and Simulations
Showing records 119 to 143 of 5392. [First] Page: 1 2 3 4 5 6 7 8 9 10 Last
CFD Predictions for Mixing Times in an Elliptical Ladle Using Single- and Dual-Plug Configurations
Rohit Tiwari, Bruno Girard, Chantal Labrecque, Mihaiela M. Isac, Roderick I. L. Guthrie
July 4, 2023 (v1)
Keywords: gas stirring, ladle metallurgy, mathematical modeling, mixing time, porous plug
Argon bottom stirring is commonly practiced in secondary steelmaking processes due to its positive effects on achieving uniform temperatures and chemical compositions throughout a steel melt. It can also be used to facilitate slag metal refining reactions. The inter-mixing phenomena associated with argon gas injection through porous plugs set in the bottom and its stirring efficiency can be summarized by evaluations of 95% mixing times. This study focuses on investigating the impact of different plug positions and ratios of argon flow rates from two plugs on mixing behavior within a 110-tonne, elliptical-shaped industrial ladle. A quasi-single-phase modeling technique was employed for this purpose. The CFD findings revealed that the optimal position of the second plug is to be placed diametrically opposite the existing one at an equal mid-radius distance (R/2). An equal distribution of argon flow rates yielded the best results in terms of refractory erosion. A comparative study was con... [more]
Numerical Simulation Study on the Influence of Twist Tape Parameters on Hydrate Particle Deposition
Shuli Wang, Yongchao Rao, Chengming Hao, Jing Yao, Shidong Zhou
July 4, 2023 (v1)
Keywords: deposition, numerical simulation, swirl flow, twist tape
Numerical simulation is used to carry out research on the swirl flow transportation of a hydrate in the pipeline under the condition of the whole rotation of the twist tape using DPM (discrete phase modeling) and RNG (renormalization group) k-ε. The influence of different twist tape parameters on the swirl number and concentration distribution of hydrate particles is analyzed. The structure parameters of the twist tape are optimized, based on the swirl efficiency evaluation parameters of a gas-solid two-phase pipeline. Finally, the twist tape is compared with different working conditions: the local rotation of twist tape and an ordinary pipeline. The results show that the areas of a high concentration of particles are near the twist tapes, and the concentration of particles on the leeward side of the twist tapes is higher than that on the windward side. The minimum concentration area at the axial position gradually increases with the increase of the flow distance, and the hydrate parti... [more]
Influence of Sputtering Pressure on the Micro-Topography of Sputtered Cu/Si Films: Integrated Multiscale Simulation
Guo Zhu, Mengxin Han, Baijun Xiao, Zhiyin Gan
July 4, 2023 (v1)
Keywords: Cu/Si film deposition, magnetron sputtering epitaxy, multiscale simulation, sputtered particle transport, surface topography
In this work, an integrated multiscale simulation of magnetron sputtering epitaxy was conducted to study the effect of sputtering pressure on the surface micro-topography of sputtered Cu/Si films. Simulation results indicated that, as the sputtering pressure increased from 0.15 to 2 Pa, the peak energy of the incident energy distribution gradually decreased from 2 to 0.2 eV, which might be mainly due to the gradual decrease in the proportion of deposited Cu atoms whose energy ranged from 2 to 30 eV; the peak angle of the incident polar angle distribution increased from 25° to 35°, which might be attributed to the gradual thermalization of deposited Cu atoms; the growth mode of Cu film transformed from the two-dimensional layered mode to the Volmer-Weber mode. The transformation mechanism of growth mode was analyzed in detail. A comprehensive analysis of the simulation results indicated that incident energy ranging from 2 to 30 eV and incident angle between 10° and 35° might be conduciv... [more]
Improvements in the Modeling and Kinetics Processes of the Enzymatic Synthesis of Pentyl Acetate
Beatriz Lorenzo, Luis Fernández, Juan Ortega, Leandro Domínguez
July 4, 2023 (v1)
Keywords: esterification, kinetics modeling, Lipozyme®435, pentyl acetate, solvent-free system
In this work, the enzymatic synthesis of pentyl acetate obtained from acetic acid and pentan-1-ol using the commercial immobilized lipase Lipozyme®435 was studied. Specifically, the effects of several variables of the process on the kinetics were shown, such as the initial concentration of the acetic acid, the alcohol/acid molar ratio, and the possible reuse of the enzyme, while other variables, such as temperature, agitation, and the enzyme/acid ratio were held constant. The kinetics were determined by assessing the acetic acid concentration throughout the reactive process. Experimental data were correlated with the rate equation consisting of a modified version of the Bi−Bi Ping-Pong mechanism. The results showed that when no hydrophobic solvents were used with the reagents in stoichiometric proportion, a high molar fraction of acetic acid (x0,acid ≈ 0.50) caused the loss of enzymatic activity, achieving a conversion of only 5%. However, when there was an excess of pentan-1-ol, the r... [more]
Residence Time Section Evaluation and Feasibility Studies for One-Column Simulated Moving Bed Processes (1-SMB)
Steffen Zobel-Roos, Florian Vetter, Jochen Strube
July 4, 2023 (v1)
Keywords: 1-SMB, simulated moving bed
The simulated moving bed (SMB) is a well-established, fully continuous process for chromatographic separation of difficult tasks with overlapping peaks, but it is relatively complex. The 1-SMB, which uses only one column but includes residence time zones to preserve concentration profiles, is a simpler semi-continuous alternative. This work examines the possible design of these residence time zones. Simulation studies were conducted to investigate the dependence of process metrics, such as purity, yield, productivity, and eluent consumption, on fluid dynamics. No deterioration in purity was observed, and the other variables remained constant over a wide range of axial dispersion before decreasing sharply. Pilot-scale experiments were conducted with various devices, including coiled flow inverters, eluate recycling devices, packed columns, and tank arrangements, to validate possible apparatus implementations with fluid dynamic measurements. It was demonstrated that the 1-SMB offers simi... [more]
Mathematical and Physical Modelling of Transient Multi-Phase Flows in a Ladle Shroud during Start-Up
Daniel R. Gonzalez-Morales, Bruno Girard, Chantal Labrecque, Mihaiela M. Isac, Roderick I. L. Guthrie
July 4, 2023 (v1)
Keywords: CFD modelling, Ladle Shroud, multi-phase flow
The Ladle Shroud has become an important part of secondary steelmaking, with its role in reducing liquid steel contamination and process improvements. Due to the inherent negative pressure at the lower nozzle−Ladle Shroud joint, it is well known that Ladle Shrouds, protecting steel flows between a Ladle and a tundish below, can suffer from inadvertent ingress of air. Therefore, there is a need to apply inert gas injection at the joint. In the present paper, 3D transient multi-phase simulations of flows occurring for a Reverse Tapered Ladle Shroud during start-up were studied using CFD software ANSYS Fluent 19.1. This allowed us to study the initial multi-phase flow developed during the start-up and potential steel reoxidation, based on a first principles approach. Time-dependent phase fields as well as attendant velocity and turbulence fields were obtained, resulting in the prediction of a turbulent multi-phase flow during start-up and filling. Additionally, some transient phenomena li... [more]
Migration Behavior of NH4+ and Na+ in a Bentonite-Clay Mixed Soil Column and Numerical Simulation
Wenjing Sun, Qiantong Tang, Gang Xu, Yunzhi Tan
July 4, 2023 (v1)
Keywords: bentonite, column test, landfill barrier, migration, Simulation
The landfill barriers effectively prevented the migration of high-concentration pollutants, such as NH4+ and Na+, from the landfills to the surrounding environment. However, due to the high hydraulic head inside the landfill compared to the surrounding environment, NH4+ and Na+ can migrate towards the outside of the landfill barrier with the infiltrating solution, potentially causing harm to the surrounding environment. To address this, saturated mixed soil column samples made of bentonite and Shanghai clay, with bentonite contents of 3% and 10%, were used in this study. Permeability coefficients of the column samples in solutions are obtained by using permeation tests, and using NaCl and NH4Cl solutions with concentrations of 37.4 mmol/L and 74.8 mmol/L, respectively. The concentration-depth result of the column samples after permeation tests was determined using Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES) and Ion Chromatography (ICS-1100). Numerical simulations... [more]
Mixing Transport Mechanism of Three-Phase Particle Flow Based on CFD-DEM Coupling
Man Ge, Juntong Chen, Longyun Zhao, Gaoan Zheng
July 4, 2023 (v1)
Keywords: CFD-DEM coupling, lithium electric homogenate mixing, mixing transport, three-phase particle flow
The mixing transport courses of three-phase particle flows exist in some industrial applications, such as metallurgy material extraction, lithium electric slurry dispersion, and material mixing in the high-end chemical industry. Its mixing transport mechanism is a fluid−structure coupling dynamic issues with intensive shear and nonlinear characteristics, making the real-time prediction of the flow field face challenges. To address the above problem, a bidirectional fluid−structure coupling three-phase particle flow dynamic model is built based on the coupled computational fluid dynamics and discrete element model (CFD-DEM) to explore the mixing transport mechanism. An interphase coupling solution method is utilized to solve the interaction effects of the fluid and particle. Research results illustrate that the proposed method modeling can well reveal the mixing transport mechanism of the three-phase particle flows. Due to the additive effects of stirring speed, stirring blade size, and... [more]
Designing a Turning Guide Vane Using CFD for an Economizer of a Non-Furnace Boiler
Chaerul Qalbi AM, Joon Ahn
July 4, 2023 (v1)
Keywords: economizer, non-furnace boiler, pressure drop, temperature uniformity, turning guide vane
Non-furnace boilers can improve the efficiency of industrial once-through boilers. However, temperature non-uniformity occurs in the economizer connected vertically to the boiler. Heat transfer performance is degraded by temperature non-uniformity. To solve this problem, a corbel was installed on the side wall of the economizer, and a baffle was installed on the transition duct. Consequently, although the thermal efficiency of the boiler was improved, significant temperature non-uniformity was still observed in the area upstream of the economizer. To address this issue, this study designed a turning guide vane (TGV) at the economizer inlet using computational fluid dynamics (CFD). First, CFD was performed for a case without a guide vane and a case with an existing baffle installed. By analyzing the streamlines obtained using CFD, two TGV designs were proposed. In the first design, guide vanes were installed along the desired streamline, and the concept of the existing TGV was followed.... [more]
A Review on Process-Based Groundwater Vulnerability Assessment Methods
Cheng Geng, Debao Lu, Jinglin Qian, Cundong Xu, Dongfeng Li, Jian Ou, Zhou Ye
July 4, 2023 (v1)
Keywords: groundwater vulnerability assessment, pollution transport, transport simulation, unsaturated zone
The unreasonable development and pollution of groundwater have caused damage to the groundwater system and environmental problems. To prevent this, the concept of “groundwater vulnerability” was proposed, and various evaluation methods were developed for groundwater protection. However, with changing climatic conditions and human activities, groundwater vulnerability is now emphasizing physical processes. This study aims to review and analyze the principles and applications of process-based groundwater vulnerability methods to achieve the source protection of groundwater resources. It introduces the assessment method and elaborates on pollutant migration processes and numerical simulation technology. Relevant articles from the past 30 years are reviewed to show the evolution of process-based groundwater vulnerability assessment. The study also discusses current research trends and proposes future development paths. It concludes that process-based groundwater vulnerability assessment wi... [more]
Abnormal Situation Management in Chemical Processes: Recent Research Progress and Future Prospects
Shangzhi Liu, Fangyi Lei, Dongfeng Zhao, Qinglong Liu
July 4, 2023 (v1)
Keywords: abnormal situation management, chemical process, digital twin system, dynamic risk assessment, early prediction and warning, fault detection and diagnosis, industrial application, intelligence, root cause analysis
In the chemical process, abnormal situations are precursor events of incidents and accidents. Abnormal situation management (ASM) can effectively identify abnormalities and prevent them from evolving into incidents or accidents, ensuring the safe and smooth operation of chemical plants. In recent years, ASM has attracted extensive attention from the process industry and from academia, and a lot of research work has been conducted. However, the intelligence level of ASM in actual chemical plants is still relatively low, and industrial applications still face many difficulties and challenges. This review first summarizes the concepts and involved in the contents of ASM. Then, the latest research progress in various aspects of ASM is systematically reviewed. Finally, the challenges and future research directions of ASM are analyzed based on the perspective of industrial application. This review aims to provide the most cutting-edge reference for follow-up research on ASM, and to promote t... [more]
Study on the Hydraulic Characteristics of an Eccentric Tapering Outlet Pressure Box Culvert in a Pumping Station
Ye-Xin Chen, Bin Xi, Zhigang Chen, Shixuan Shen
July 4, 2023 (v1)
Keywords: average angle of the axial velocity, eccentric tapering outlet pressure box culvert, model test, numerical simulation, optimization scheme
The outlet pressure box culvert is often used as the drainage building of a pumping station. Because of its compact structure, it produces transverse flow velocity and then forms poor flow patterns, such as bias flow, reflux, and flow separation, which affect the discharge efficiency of the pumping station. Based on the combination of a physical model test and numerical simulation, the hydraulic characteristics of an eccentric tapering outlet pressure box culvert were analyzed. Focusing on the poor flow pattern in the box culvert, different optimization schemes were proposed to adjust the flow pattern. The flow pattern, transverse velocity distribution ratio (which represents the proportion of transverse velocity in velocity), average angle of the axial velocity, axial velocity uniformity, and pressure distribution of each scheme were compared to obtain the best scheme. The results show that the combination scheme of “diversion pier position and angle with deflecting flow baseplate” ha... [more]
Surface Subsidence Characteristics of Mining Panel Layout Configuration with Multi-Seam Longwall Mining
Hengzhong Zhu, Huajun Wang, Rong Gao, Yongqiang Zhao
July 4, 2023 (v1)
Keywords: ground surface fissure development, ground surface movement, mining panel layout configuration, multi-seam surface subsidence, numerical simulation
Mining-induced subsidence is critical for ecological environment reconstruction and damage prevention in coal mining areas. Understanding the characteristics of surface subsidence with multi-seam mining is the first step. Surface subsidence of different mining panel layout configurations was investigated by means of UDEC numerical simulation. Based on the simulation results, it was indicated that mining panel layout configuration had a significant impact on surface subsidence, including ground surface subsidence, horizontal displacement, crack propagation, and ground surface fissure development. The overlapped region of the upper panel and the lower panel is the key region, where existing bedding separations and strata cracks close and activate, the integrity and strength of the interburden layer are reduced, and the subsidence magnitude is enhanced. The subsidence profile of the overlapped region for the stacked configuration, external staggered, the edge of the lower panel internal s... [more]
Numerical Validation of a New Analytical Solution for Helical (Earth-Basket) Type Ground Heat Exchangers
Christoph Reichl, Henk J. L. Witte
June 13, 2023 (v1)
Keywords: computational fluid dynamics (CFD), earth basket collector, engineering tool, finite line source (FLS), G-function, GHEX, shallow geothermal, spiral ground heat exchanger design
In this paper, we show that an analytical solution based on the Finite Line Source and G-function approach is both sufficiently fast and accurate for design calculations of ground heat exchangers with a complex (spiral) geometry. Detailed validations were performed for the steady-state and transient responses of analytical models with different time scales (10 h and 250 h). A comparison with a detailed computational fluid dynamics model (Ansys Fluent) and the analytical method for different boundary conditions showed a very good agreement (maximum root mean square error) smaller than 0.25 K.
Assessment of Physical and Sensory Attributes of Date-Based Energy Drink Treated with Ultrasonication: Modelling Changes during Storage and Predicting Shelf Life
Mohammad Fikry, Yus Aniza Yusof, Alhussein M. Al-Awaadh, Syahrul Anis Hazwani Mohd Baroyi, Nashratul Shera Mohamad Ghazali, Kazunori Kadota, Shuhaimi Mustafa, Hazizi Abu Saad, Nor Nadiah Abdul Karim Shah, Saleh Al-Ghamdi
June 13, 2023 (v1)
Keywords: energy drink, Modelling, palm date, quality and sensory properties, ultrasonic
Sonication is a relatively new and eco-friendly method used to extend the shelf life of food products. This study aimed to investigate the effects of ultrasonication and thermal treatments on the physical and sensory properties of an energy drink made from dates during cold storage at 4 °C. The study compared the effects of ultrasonication for 20, 30, and 40 min at 50% amplitude with thermal treatment at 90 °C for 5 min, aiming to model the changes in properties of processed drinks over time and predict their shelf life by integrating quality attributes. The results showed that total soluble solids (TSS) and electrical conductivity (EC) were not affected by cold storage and did not differ significantly between sonicated, thermally processed, and untreated samples. However, significant differences in pH; L*, a*, and b* values; Chroma; and sensory attributes were detected among the sonicated, thermally processed, and untreated samples. The sensory properties of the sonicated samples for... [more]
Detailed Simulations of a Three-Stage Supercritical Carbon Dioxide Axial Compressor with a Focus on the Shrouded Stator Cavities Flow
Saugat Ghimire, Mark Turner
June 13, 2023 (v1)
Keywords: axial compressor, cavity, cavity leakage flow, hub cavity flow, seal teeth, shrouded stator, supercritical CO2
This paper describes the findings of detailed simulations performed to investigate the impact of seal teeth cavity leakage flow on the aerodynamic and thermal performance of a three-stage supercritical CO2 axial compressor. The study compares a shrouded stator configuration (with cavities) to a cantilevered stator configuration (without cavities) to highlight their differences. High-fidelity computational fluid dynamics simulations were performed using non-linear harmonic (NLH) and mixing plane assumptions, considering various possible rotor/stator interface configurations for mixing plane calculations. The key performance parameters for each case were compared, and the best-performing configuration selected for further analysis. The individual stage performance parameters are also examined and compared between the cantilevered and shrouded configurations. It was observed that in the shrouded case, the leakage flow enters the cavity downstream of the stator trailing edge and gets entra... [more]
Junction Temperature Prediction Model for GaAs HBT Devices Based on ASO-ELM
Xiaohong Sun, Yijun Yang, Chaoran Zhang
June 13, 2023 (v1)
Keywords: ASO, ELM, GaAs HBT, junction temperature, power cell
In this study, an accurate temperature prediction model is proposed for GaAs HBT, which considers both the bias voltage and current rather than power consumption only. The increase in temperature is closely related to the heat source property, which leads to a complex interaction between the lattice vibration and the uneven distribution of the electric field and current density. To improve the accuracy and stability of the temperature prediction model, a machine learning method of Extreme Learning Machine (ELM) optimized with an Atomic Search Algorithm (ASO) is introduced. The validity of the model is verified by comparing it with experimental observations by the QFI InfraScope TM temperature mapping system. The predicted temperatures for an 8 × 8 HBT power cell fabricated with 2 μm GaAs technology show good agreement with the measurement results, with a ±2 °C error and a relative error deviation below 3%. This demonstrates the superior performance of the proposed model in accurately p... [more]
An Enhanced Method for Nanosecond Time Synchronization in IEEE 1588 Precision Time Protocol
Fei Li, Wenyi Liu, Yueyan Qi, Qiang Li, Gaigai Liu
June 13, 2023 (v1)
Keywords: clock synchronization, IEEE 1588 Precision Time Protocol, OMNeT++, time synchronization accuracy
The performance of time-critical systems depends heavily on time synchronization accuracy. Therefore, it is crucial to have a synchronization method that can achieve high time synchronization accuracy. In this paper, we propose a new underlying transmission architecture and new synchronization messages. On the basis of these, aiming at the time error problem of the slave clock, we propose an enhanced time synchronization method based on new synchronization messages. Furthermore, we evaluate the performance of the enhanced time synchronization method on the OMNeT++ simulator. In addition, we compare the impact of different crystal oscillator accuracies and different crystal oscillator frequencies on time synchronization accuracy, respectively. Simulation results show that the time offset is at most ±1 clock period using the enhanced time synchronization method. We realize the purpose of timing the master clock and the slave clock by counting the period of the clock signal. Therefore, we... [more]
Analysis and Modeling of No-Vent Filling Process for Liquid-Hydrogen Tank in Orbital Conditions
Yuan Ma, Yue Zhang, Xiaozhong Luo, Yanzhong Li, Fushou Xie
June 13, 2023 (v1)
Keywords: four-node model, liquid hydrogen, microgravity, no-vent fill, pressure development
A four-node model is proposed to investigate the no-vent filling performance of liquid hydrogen (LH2) at microgravity. The no-vent filling method can directly prevent the influence of random gas−liquid distributions at microgravity, making it a good choice for cryogenic propellants to achieve orbital refueling. The typical phase distribution of the centrally located ullage was assumed and, in particular, the correlations for the boiling heat transfer of LH2 at microgravity were corrected in this model. After the accuracy of this model was effectively verified, the effects of different filling conditions, including the initial tank pressure, the initial temperature, and the temperature of the inlet liquid, were studied. The results showed that the initial pressure had a major influence on the initial pressure rise but only a slight influence on the final pressure development. A higher initial temperature would have led to an obvious increase in the tank pressure and an obvious decrease... [more]
Bifurcation Analysis of a Rotor-Casing Coupling System with Bolted Flange Connection under the Effect of Rotor-Casing Rubbing Fault
Zhimin Zhu, Chuanmei Wen, Tianliang Long, Long Jin, Yuqi Li
June 13, 2023 (v1)
Keywords: bifurcation analysis, bolted flange connection, Dynamic Modelling, rotor-casing coupling system, rubbing fault
This study mainly investigated the nonlinear vibration performance of a rotor-casing coupling system containing a bolted flange connection. The dynamic equations of the coupling system were developed while considering the radial stiffness of the bolted flange structure, which contained a spigot, squirrel cage with ball bearing, and rotor-casing coupling vibration. To study the influence of the disk casing fixed-point rubbing fault on the coupling system’s nonlinear dynamic performance, an analytical model of the nonlinear impact forces was established, which considered the contact and vibration responses of the rotor and casing. The frictional force was obtained based on the Coulomb friction law. The iterative analysis of motion equations was performed utilizing the Newmark method. Then, the nonlinear dynamic behaviors of the coupled systems were examined using data, including a bifurcation diagram, spectrum plot, greatest Lyapunov exponents, etc. The effects of rubbing fault on the dy... [more]
Comparative Analysis of the Hydrodynamic Performance of Arc and Linear Flapping Hydrofoils
Ertian Hua, Wenchao Zhu, Rongsheng Xie, Zhongxin Su, Haitao Luo, Linfeng Qiu
June 9, 2023 (v1)
Keywords: flapping hydrofoil, flapping mode, numerical simulation, pumping performance, ultra-low head
In order to improve the hydrodynamic performance of flapping hydrofoils and solve the problem of insufficient hydrodynamic force in plain river network areas, in this study, we consider the more realistic swing of fish tails and propose an arc flapping method, the coupled motion of which has three degrees of freedom: heave, pitch, and lateral displacement. Two flapping methods, positive arcs and negative arcs, were derived on the basis of the lateral displacement direction. By using the finite volume method (FVM) and overlapping grid technology, a numerical simulation was conducted to compare and analyze the pumping performance of three types of flapping hydrofoil, namely, linear, positive arcs, and negative arcs, in order to further provide guidance for the structural optimization of bionic pumping devices. The results showed that the wake vortex structures of the three flapping modes all had anti-Kármán vortex streets, but the wake vortex of linear flapping deflected upward, and the... [more]
Construction of a Green-Comprehensive Evaluation System for Flotation Collectors
Hongxiang Xu, Jiahua Cui, Yijun Cao, Lin Ma, Guixia Fan, Gen Huang, Kejia Ning, Jingzheng Wang, Yuntao Kang, Xin Sun, Jiushuai Deng, Shan Li
June 9, 2023 (v1)
Keywords: analytic hierarchy process, collector, comprehensive evaluation, fuzzy comprehensive evaluation, green evaluation
The evaluation of flotation reagents performs an important role in the selection and green application of reagents. The green indexes and effect indexes of flotation collectors were selected by data literature method, system analysis method, mathematical model method, and qualitative and quantitative analysis method, and the green evaluation system of flotation collectors, flotation effect evaluation system, and comprehensive evaluation system of flotation collectors were established. The normalization method and expert evaluation methods were adopted to obtain the grade classification of quantitative and qualitative indicators, respectively. The analytic hierarchy process (AHP) was used to determine the weight of secondary indicators and tertiary indicators of the evaluation system and the weight of indicators at a lower level. Applying the fuzzy comprehensive evaluation (FCE), the trapezoidal function is selected to determine the index affiliation, the index system score is calculate... [more]
Thermal Methane Cracking on Molten Metal: Kinetics Modeling for Pilot Reactor Design
Emma Palo, Vittoria Cosentino, Gaetano Iaquaniello, Vincenzo Piemonte, Emmanuel Busillo
June 9, 2023 (v1)
Keywords: CO2 free process, Hydrogen, methane cracking, Modelling, molten metal process
Up to 80% of hydrogen production is currently carried out through CO2 emission-intensive natural gas reforming and coal gasification. Water-splitting electrolysis using renewable energy (green H2) is the only process that does not emit greenhouses gases, but it is a quite energy-demanding process. To significantly contribute to the clean energy transition, it is critical that low-carbon hydrogen production routes that can replace current production methods and can expand production capacity to meet new demands are developed. A new path, alternative to steam reforming coupled with CCS (blue H2) that is based on methane cracking, in which H2 production is associated with solid carbon instead of CO2 (turquoise H2), has received increasing attention recent years. The reaction takes place inside the liquid bath, a molten metal reactor. The aim of this article is to model the main kinetic mechanisms involved in the methane cracking reaction with molten metals. The model developed was validat... [more]
A New Method for Calculating Reservoir Core-Bound Water Saturation Using the Cast Thin Section
Yunjiang Cui, Jun Ming, Xinlei Shi, Wangwang Yang, Zhansong Zhang, Chong Zhang
June 9, 2023 (v1)
Keywords: cast thin sections, hydropower station, irreducible water saturation, low resistivity reservoir, unconsolidated sandstone
The rock coring of the reservoir in the Bohai A field is difficult. The cores of the target section in the study area are loose, making it difficult to accurately measure the core-bound water saturation. The purpose of this research was to develop and validate a method for calculating a reservoir core-bound water saturation ratio using the cast thin section. First, pepper noise denoising and image enhancement were performed on the thin section by median filtering and gamma variation. Based on this, the enhanced sheet images were thresholded for segmentation by the two-dimensional OTSU algorithm, which automatically picked up the thin section pore-specific parameters. Then, the thin section image was equivalent to a capillary cross-section, while the thin film water fused to the pore surface was observed as bound water. For hydrophilic rocks with a strong homogeneity, the area of thin film water in the pore space of the sheet was divided by the total area of the pore space, which produc... [more]
Graphene Oxide Membranes for Ionic/Molecular Filtration: From Self-Assembly to Design
Niping Ma, Ke Xu, Jianhua Guo, Ning Wei, Junxia Yan
June 7, 2023 (v1)
Keywords: deposition, gas separation, graphene oxide, membrane filtration, molecular dynamics simulation
The graphene oxide (GO) membrane holds great promise in desalination and green energy fields due to its naturally occurring nanochannels, which provide significant advantages in gas and ion filtration. In this study, the sizes and distributions of nanopore/channels in GO membranes and the relationship of GO flakes size and membrane thickness are explored by molecular dynamics simulations. Our results demonstrate that the size of GO flakes influences the distribution of nanopore sizes in GO membranes, while it almost has no influence on the total nanopore area in membranes with the same thickness. Additionally, our findings confirm that the total nanopore area of the GO membranes decreases exponentially as the membrane thickness increases, which is consistent with experimental observations. To expand the range of nanopore size regulation, we developed a columnar-array substrate model to create GO membranes customized for specific filtration functions, such as virus filtration. Our findi... [more]
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