Article
Environmental Sciences
Hua Lin, Xu Xu, Jianwen Yang
Summary: This study develops a conceptual model based on common features of typical unconformity-related uranium deposits in the Athabasca Basin, Canada, and designs three reactive flow modeling scenarios to investigate the effect of fault extension on uranium deposit formation. The results indicate that the location of the fault zone relative to the unconformity is crucial for fluid circulation, temperature distribution, aqueous component transport, and uranium deposition. The research also reveals the critical role of the circulating pattern of basement brine in ore genesis.
Article
Electrochemistry
Yuhe Li, Wei Huang, Qingnuan Li
Summary: In this study, the electrochemical behavior of UO2 in high-temperature molten salt was investigated. The effects of reduction potential and uranyl concentration on the morphology and grain size of the electrolytic products were studied. The reduction potential was found to play a decisive role in the morphology of the cathodic products. The uranyl concentration also had a positive correlation with the grain size of the cathodic products. Specific reduction potential and uranyl concentration were recommended for the preparation of large and uniform UO2 crystals.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Thermodynamics
Veronique Osswald, Pascal Clain, Laurence Fournaison, Anthony Delahaye
Summary: CO2 hydrate slurries are potential phase change materials for secondary refrigeration, but the difficulty in evaluating their crystallization kinetics hinders their industrial use. This study presents a specific method to determine kinetics by directly measuring heat flow, which is consistent with the evaluation by the mass balance method.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Multidisciplinary Sciences
Felix J. Meigel, Thomas Darwent, Leonie Bastin, Lucas Goehring, Karen Alim
Summary: This study investigates dispersive transport through complex media and reveals the nonlinear dependence between microscopic morphology and macroscopic transport characteristics by studying the statistics of pore-junction units. It is of great significance for understanding and controlling transport in complex media.
NATURE COMMUNICATIONS
(2022)
Article
Engineering, Chemical
Alexander Van-Brunt, Patrick E. Farrell, Charles W. Monroe
Summary: This article presents the Onsager-Stefan-Maxwell thermodiffusion equations, which explain the Soret and Dufour effects in multicomponent fluids. This framework preserves the structure of the isothermal Stefan-Maxwell equations and separates the forces driving diffusion and heat flow. The authors demonstrate the feasibility of this method through numerical simulations.
Article
Mechanics
Hao Wang, Jinliang Xu, Xiaojing Ma, Jian Xie
Summary: This study investigates the thermal non-equilibrium process of an FC-72 droplet over a thin oil layer. The droplet radius follows a power law, and the droplet temperature shows nonmonotonic variation. These findings have important implications for applications such as drug delivery.
Article
Thermodynamics
Xiangsheng Li, Tian Zhou, Haiping Chen, Heng Zhang, Guoqing Shen
Summary: The release of industrial flue gas into the environment leads to a significant waste of latent heat and water resources. The transmission membrane condenser (TMC) has emerged as a promising technology to address this issue, but research on TMC is still in its early stages and lacks performance evaluation and analysis of heat and mass coupling effects. This paper presents experiments conducted to assess the heat transfer performance of TMC at different undercooling degrees and flue gas velocities. It also compares TMC with 316L stainless steel pipe and derives a Nusselt formula suitable for single-channel ceramic membranes.
APPLIED THERMAL ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Nazhen Liu, Fraser King, James J. Noel, David W. Shoesmith
Summary: The influence of gamma-radiation in the presence of dissolved hydrogen on the corrosion of uranium dioxide was studied, showing a suppressive effect. The reduction of U-V states due to hydrogen atoms led to the suppression of corrosion. Additionally, the production of reactive H radicals can also help inhibit the corrosion of UO2-based materials under electrochemical conditions.
Article
Chemistry, Multidisciplinary
Mojdeh Zarifi, Bjorn Kvamme, Tatiana Kuznetsova
Summary: This work provides a brief overview of selected hydrate film growth models with a focus on analyzing hydrate phase transition dynamics. The research demonstrates that water-dominated phase hydrate phase transitions have heat transport significantly faster than mass transport. The proposal suggests that theoretical studies on hydrate nucleation and growth should incorporate all relevant transport properties to ensure accuracy in thermodynamics.
APPLIED SCIENCES-BASEL
(2021)
Article
Geochemistry & Geophysics
Yumeng Wang, Guoxiang Chi
Summary: Thermal convection and fluid mixing play crucial roles in the formation of mineral deposits, however, their relationships and impacts are not well understood. This study investigates the formation of high-grade unconformity-related uranium deposits in the Athabasca Basin by combining thermal convection and fluid mixing.
Article
Mathematics
Tong Zhang, Xiaodong Nie, Shuaibing Song, Xianjie Hao, Xin Yang
Summary: The reactive-transportation of radioactive elements in fractured rock mass is critical to the storage of radioactive elements. The transport and distribution of uranium-containing solution are significantly dependent on the evolution of connected channels in rough-walled fractures, which are influenced by confining stress and hydraulic pressure. The evolution of loading paths also dominates the flow and solute transport.
Article
Multidisciplinary Sciences
Javaria Akram, Noreen Sher Akbar
Summary: The main focus of this article is to mathematically model a microfluidics-based mechanical system for nanofluids. A mixture of propylene glycol and water is used as the heat transfer fluid, and titanium dioxide nanoparticles are suspended in the fluid to enhance its heat transfer ability. The fluid flow is induced by electroosmosis and cilia beating, and the impacts of Joule heating and non-linear thermal radiation are considered. The numerical solution of the non-linear system of equations is obtained using symbolic mathematical software. The results show that the suspension of nanoparticles improves the efficiency of the nanofluid, and the fluid velocity is increased by reducing the thickness of the electric double layer and increasing the strength of the electric field.
SCIENTIFIC REPORTS
(2023)
Article
Computer Science, Interdisciplinary Applications
Jingjing Wang, Jesus Carrera, Maarten W. Saaltink, Cristina Valhondo
Summary: The presence of low permeability regions within porous media affects solute transport and species concentrations distribution. Multirate Mass Transfer (MRMT) models represent this anomalous transport process, which conceptualizes the medium as one mobile zone and multiple immobile zones. The numerical solution with MRMT for reactive transport is developed, incorporating chemical kinetics into the governing equations, and the efficiency of the proposed algorithm allows for significant savings in CPU time. The validity of the developed solution is tested by comparison with other numerical and analytical solutions.
COMPUTERS & GEOSCIENCES
(2022)
Article
Engineering, Manufacturing
Boxue Song, Tianbiao Yu, Xingyu Jiang, Wenchao Xi, Xiaoli Lin, Zhelun Ma, Zhao Wang
Summary: This study developed and validated a numerical model of multilayer directed energy deposition based on the single-layer directed energy deposition, with the aim of revealing the cladding forming process and solidification structure in this process. The simulation results showed the complex Marangoni convection pattern generated by the surface tension gradient in the melt pool. Additionally, the study found that multilayer directed energy deposition enhanced the penetration effect of the melt pool and resulted in a cross-layer mass transfer different from single-layer directed energy deposition. The study also analyzed the evolution of the multilayer cladding and the shift of its growth orientation, and predicted the relationship between cladding grain size and solidification properties.
ADDITIVE MANUFACTURING
(2022)
Article
Nanoscience & Nanotechnology
Danny K. D. Ko, Hangjie Ji, Y. Sungtaek Ju
Summary: This paper proposes a convolutional neural network trained on periodic unit cells to predict pore-scale velocity fields of complex heterogeneous porous media from binary images. The model accurately predicts the permeability and pore-scale flow characteristics of both synthetic and real porous media and improves the convergence of numerical simulations. This approach addresses the limitations of previous models and enhances computational efficiency, making it suitable for various engineering applications.
Article
Thermodynamics
Feifei Qin, Jianlin Zhao, Qinjun Kang, Thomas Brunschwiler, Jan Carmeliet, Dominique Derome
Summary: Based on the numerical study, a higher initial nanoparticle concentration leads to larger and more numerous necks, resulting in increased effective thermal conductivity of the NTS. Drying temperature has minimal impact on the effective thermal conductivity of the resultant NTS, but neck size and distribution become more uniform at higher drying temperatures. Decreasing wettability of the cavity's top and bottom surfaces causes necks to shrink or disappear, while the size of necks between filler particles in the middle of the cavity slowly expands, leading to a decrease in the effective thermal conductivity of the NTS.
APPLIED THERMAL ENGINEERING
(2021)
Article
Chemistry, Physical
Li Chen, Qinjun Kang, Wenquan Tao
Summary: Understanding the interactions between multiphase flow and reactive transport processes in catalyst layers of proton exchange membrane fuel cells is crucial for achieving better performance and lower cost. Through pore-scale simulation, dynamic behaviors of liquid water and the interaction between multiphase flow and reactive transport processes can be successfully captured.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Chemical
Jianlin Zhao, Feifei Qin, Qinjun Kang, Dominique Derome, Jan Carmeliet
Summary: In this work, a hybrid method coupling a pseudo-potential lattice Boltzmann model (LBM) and a pore network model (PNM) is proposed to simulate drying in porous media. By subdividing the porous medium into pore regions and using different models for different types of pores, the hybrid method combines the accuracy of LBM and the efficiency of PNM, leading to significant reduction of computation time in larger porous systems.
Review
Thermodynamics
Li Chen, An He, Jianlin Zhao, Qinjun Kang, Zeng-Yao Li, Jan Carmeliet, Naoki Shikazono, Wen-Quan Tao
Summary: This review summarizes the recent advances and challenges in pore-scale modeling, discussing its practical applications in geoscience, polymer exchange membrane fuel cells, and solid oxide fuel cells. Notable results from pore-scale modeling are presented, while the challenges facing the development of pore-scale models are also discussed.
PROGRESS IN ENERGY AND COMBUSTION SCIENCE
(2022)
Article
Engineering, Chemical
Min Liu, John Waugh, Siddharth Komini Babu, Jacob S. Spendelow, Qinjun Kang
Summary: A pore-scale model is proposed to simulate ion transport and adsorption in CDI electrodes. The model considers the coupling among water flow, ion transport, and adsorption, and investigates the effects of electrode microstructure, electrical potential, and flow velocity on adsorption processes.
Article
Environmental Sciences
Jianlin Zhao, Feifei Qin, Qinjun Kang, Chaozhong Qin, Dominique Derome, Jan Carmeliet
Summary: This study successfully simulates the dynamics of corner film flow in strongly wetting porous media using a modified interacting capillary bundle model (ICB) incorporated into a single-pressure dynamic pore network model (DPNM). The interaction between corner film and main meniscus flow in porous media is analyzed from a pore-scale perspective.
WATER RESOURCES RESEARCH
(2022)
Article
Multidisciplinary Sciences
Javier E. Santos, Bernard Chang, Alex Gigliotti, Ying Yin, Wenhui Song, Masa Prodanovic, Qinjun Kang, Nicholas Lubbers, Hari Viswanathan
Summary: Physical processes in porous materials have various practical applications. However, approximating these processes numerically is computationally demanding due to the complex behavior arising from the intricate solid boundary conditions. This article introduces a large dataset of 3D geometries, simulation results, and structural properties of samples, which can be used for constructing models and validating simulation codes.
Article
Energy & Fuels
Mohamed Mehana, Javier E. Santos, Chelsea Neil, James William Carey, George Guthrie, Jeffery Hyman, Qinjun Kang, Satish Karra, Mathew Sweeney, Hongwu Xu, Hari Viswanathan
Summary: This article summarizes important findings and methods regarding shale reservoirs to improve hydrocarbon extraction efficiency and minimize environmental impact. By integrating fundamental knowledge and machine learning, a pathway to enhance model prediction capabilities is outlined, and science-based workflows and platforms for pressure-drawdown optimization, real-time management, and uncertainty quantification are presented.
Article
Energy & Fuels
Mohamed Mehana, Fangxuan Chen, Mashhad Fahes, Qinjun Kang, Hari Viswanathan
Summary: This study modeled a hydraulic fracture stage and found that geochemical interactions have a positive impact on the fate of reservoir fluids and well performance. Sea water shows promise as an alternative fracturing fluid, and lower-saline connate water improves well performance.
Review
Energy & Fuels
Jianlin Zhao, Junjian Wang, Guangqing Zhang, Dawei Zhou, Li Chen, Hari Viswanathan, Qinjun Kang
Summary: Shale gas reservoirs are an important unconventional resource with unique characteristics. The ultrasmall pore sizes in shale induce the nanopore confinement effect and gas adsorption. The lattice Boltzmann method (LBM) has been modified to simulate gas flow and adsorption in shale rocks, and four types of LBM models have been developed for this purpose. LBM can efficiently estimate shale gas permeability, describe pore-scale flow behaviors, and address the influence of gas adsorption, but challenges remain in its application for shale gas flow and adsorption simulations.
Article
Engineering, Civil
Jianlin Zhao, Feifei Qin, Linlin Fei, Chaozhong Qin, Qinjun Kang, Dominique Derome, Jan Carmeliet
Summary: In this study, an advanced modified interacting capillary bundle model (MICBM) is developed to simulate imbibition dynamics in a strongly wetting square tube. The wetting corner film development is found to be less significant compared to the main meniscus flow under different conditions. Parameters such as viscosity ratio between wetting and non-wetting fluids, driving force, gravity, and contact angle are shown to influence the development of the corner film.
JOURNAL OF HYDROLOGY
(2022)
Article
Mechanics
Zi Wang, Li Chen, Hangkai Wei, Zhenxue Dai, Qinjun Kang, Wen-Quan Tao
Summary: This study simulated the reactive transport processes in porous media with dissolution of solid structures using the lattice Boltzmann method. Six dissolution patterns were identified under different Peclet and Damkohler numbers. The increase in heterogeneity intensified the wormhole phenomena and led to higher permeability. The study also found that permeability is more sensitive to the alteration of structural heterogeneity compared to specific surface area, and it is challenging to propose a general formula between permeability and porosity under different reactive transport conditions and structural heterogeneity. The use of deep neural network showed promising potential in predicting the complicated variations of permeability in heterogeneous porous media with dissolution of solid structures.
Article
Energy & Fuels
Min Liu, Qinjun Kang, Hongwu Xu, Joshua White
Summary: This study investigated the dissolution of uranium dioxide (UO2) under geological repository conditions using a three-dimensional thermal-chemical reactive transport model. The model considered the transport of chemical species, thermal conduction, and chemical dissolutions in UO2 fuel pellets. The study simulated UO2 dissolution at low and high temperatures, accounting for the changes in aqueous uranium species. The model can be used as a predictive tool for various applications.
JOURNAL OF ENERGY ENGINEERING
(2023)
Article
Mechanics
Feifei Qin, Linlin Fei, Jianlin Zhao, Qinjun Kang, Dominique Derome, Jan Carmeliet
Summary: A 2-D double-distribution lattice Boltzmann method (LBM) is implemented to study the isothermal drying process of a colloidal suspension considering the local effects of nanoparticles. The model is validated by comparing with experimental results for drying of suspended colloidal droplet and a colloidal suspension in a capillary tube. The influence of three local nanoparticle effects on drying dynamics, deposition process and final configurations is analyzed, and a unified relation is proposed and verified.
JOURNAL OF FLUID MECHANICS
(2023)
Review
Energy & Fuels
Jianlin Zhao, Junjian Wang, Guangqing Zhang, Dawei Zhou, Li Chen, Hari Viswanathan, Qinjun Kang
Summary: This review examines four lattice Boltzmann models developed for simulating shale gas flow/adsorption and discusses the current challenges in applying these models.
Article
Materials Science, Multidisciplinary
Zhichao Shang, Xiaoping Cai, Farshid Pahlevani, Yan Zheng, Akbar Hojjati-Najafabadi, Xinran Gao, Baojing Zhang, Peizhong Feng
Summary: High porosity Co-Al-Fe intermetallics with 3D-microstructures were successfully synthesized in one step via a thermal explosion reaction. The link between pore structure and permeability was investigated using 3D-XRM technology. The corrosion resistance of the samples with different Fe contents was studied at 900 degrees C under an oxygen/sulphur atmosphere for up to 120 h. The results showed that the samples maintained stable pore structure and intact internal matrices, attributed to the formation of a thin protective layer on the surface. In addition, inward diffusion of S resulted in the formation of FeS nodules.
Article
Materials Science, Multidisciplinary
Lian Ma, Hain Yang, Daquan Zhang, Wei Wu
Summary: In this study, an environmentally friendly volatile corrosion inhibitor, lysine salts (LA), was prepared between graphene oxide (GO) layers using an in situ intercalation technique. The corrosion inhibition effect of LA was evaluated, and it was found that LA-GO2 achieved a 99.3% corrosion inhibition efficiency after composition optimization. The inhibition of the electrochemical anodic process on the surface of mild steel was the main reason for the high corrosion inhibition efficiency of LA-GO2. The properties of the surface film on the corroded steel were also characterized in detail to understand the corrosion inhibition mechanism of LA-GO2.
Article
Materials Science, Multidisciplinary
Running Wang, Jiaping Zhang, Bing Liu, Jie Fei, Qiangang Fu
Summary: By introducing a tailored SiC-C interphase, the carbon fiber can be effectively protected, improving the mechanical and ablation properties of leading edge shaped C/C-ZrC-SiC composites.
Article
Materials Science, Multidisciplinary
Zihua Wang, Chijia Wang, Ruitao Wang, Jiapeng Deng, Kun Zhang, Yanji Zhu, Huaiyuan Wang
Summary: A robust anti-corrosive coating has been developed using functional fly ash, which demonstrates excellent corrosion resistance and improved mechanical properties. The coating achieves these enhancements through molecular cross-linking design and surface augmentation techniques, resulting in a significantly improved impedance modulus compared to pure polyurea coatings.
Article
Materials Science, Multidisciplinary
Haofei Sun, Meifeng Li, Hao Zhang, Jing Liu
Summary: The oxidation behavior of FeCrNi medium entropy alloy was investigated through experimental observations and density functional theory (DFT) calculations. The study found that at 900 degrees C, the alloy forms a desirable and continuous oxide layer, while at 1000 degrees C, the oxide layer becomes discontinuous with penetration of oxide. These observations highlight the significant role of phase structure in promoting the formation of protective oxide scales and influencing oxidation resistance.
Article
Materials Science, Multidisciplinary
Yang Li, Ke Ma, Jingjun Xu, Jingjing Li, Yueming Li, Yi Zhang, Jun Zuo, Meishuan Li
Summary: Cr2AlC diffusion barrier effectively blocks the diffusion of Ti, enhancing the stability and spalling resistance of the Al2O3 scales between NiCrAlY coating and TiAl alloy.
Article
Materials Science, Multidisciplinary
Weiyi Wang, Qinglin Pan, Xiangdong Wang, Bing Liu
Summary: By adding Ce, Sc, Y and Zr elements to Al-Mg-Si alloy, the microstructure of the alloy can be regulated, and the corrosion and heat resistance of the materials can be improved.
Article
Materials Science, Multidisciplinary
Andrea Cristoforetti, Javier Izquierdo, Ricardo M. Souto, Flavio Deflorian, Michele Fedel, Stefano Rossi
Summary: This study presents a new approach to studying the mechanism of filiform corrosion in organic coated steel using the scanning vibrating electrode technique (SVET) and micropotentiometry (potentiometric SECM). The electrochemical activity under the coating was evaluated by mapping the ionic current densities coming from artificial defects made in specific locations of the filament. Antimony tips were also used to investigate the pH changes associated with different corrosion reactions at the metal-paint interface. Local pH levels along the filament in the anodic and cathodic regions were determined.
Article
Materials Science, Multidisciplinary
Yang Gao, Dayun Sun, Zhu Liu, Shuo Cong, Rui Tang, Yanping Huang, Lefu Zhang, Xianglong Guo
Summary: The corrosion characteristics of a novel alumina-forming austenitic steel in high-pressure high-temperature water environment were studied. The addition of aluminum has a negative effect on the continuity of the alumina scale.
Article
Materials Science, Multidisciplinary
Negin Madelat, Benny Wouters, Peter Visser, Zahra Jiryaeisharahi, Kristof Marcoen, Shoshan T. Abrahami, Annick Hubin, Herman Terryn, Tom Hauffman
Summary: This work explores the correlation between electrolyte transport properties and the variation of pigment volume concentration (PVC) in organic coatings. An odd random phase electrochemical impedance spectroscopy (ORP-EIS) approach is used to analyze the diffusion of ions independent from water uptake. The results show that a higher PVC leads to a more homogeneous coating structure, resulting in faster diffusion of ions and enhanced water uptake.
Article
Materials Science, Multidisciplinary
Eloa Lopes Maia, Serguei Gavrilov, Valentyn Tsisar, Kitty Baert, Iris De Graeve
Summary: The effect of pre-oxidation in air at 300-500°C on the initiation and development of liquid metal corrosion attack on 316L austenitic steel in static lead-bismuth eutectic (LBE) has been investigated. It was found that pre-formed oxide films can protect the surface against dissolution, while high temperature pre-oxidation leads to localized corrosion.
Article
Materials Science, Multidisciplinary
Baozhuang Sun, Qiuyu Wang, Yue Pan, Zhiyong Liu, Cuiwei Du, Xiaogang Li
Summary: In this study, a non-steady electrochemical model was established to investigate stress corrosion cracking (SCC). The model was verified using 304 SS with various microstructures, confirming its effectiveness in assessing SCC susceptibility.
Article
Materials Science, Multidisciplinary
Xingyu Xiao, Xinhua Liu, Zhilei Wang, Xuexu Xu, Mingying Chen, Jianxin Xie
Summary: The corrosion behavior and mechanisms of Cu-10Ni-X (Al, Fe, Mn, Cr, Sn, Ti, Zn) alloys in a 3.5% NaCl solution were systematically investigated. Both computational and experimental results revealed that except Ti, other elements could enhance the corrosion resistance of Cu2O passivation film.
Article
Materials Science, Multidisciplinary
Gen Zhang, Yan-Ping Huang, E. Jiang, Wei -Wei Liu, Hong Yang, Jing Xiong, Yong-Fu Zhao
Summary: The addition of aluminum has a significant influence on the intermetallic compounds in AFA alloys, particularly increasing the content of B2-NiAl phase. In the SCO2 environment, the oxide scales formed on AFA alloys with aluminum were thinner than on ASS without aluminum, and the structure of the oxide scales changed to a double-layer structure.
Article
Materials Science, Multidisciplinary
Yuxuan He, Guozheng Xiao, Chao Wang, Xuefeng Lu, Liuyuan Li, Shiying Liu, Yusheng Wu, Zhanjie Wang
Summary: The relationship between configurational entropy and lattice distortion in novel rare earth monosilicates was investigated, and the effect of configurational entropy on their properties was studied. The results showed that lattice distortion increased with the increase of configurational entropy, but a highly symmetrical crystal structure was formed when the configurational entropy was large enough, inhibiting the lattice distortion.
