Article
Physics, Multidisciplinary
Neeraj Sarna, Georgii Oblapenko, Manuel Torrilhon
Summary: This passage discusses the study on solving the Boltzmann equation of chemically reacting rarefied gas flows using the Grad's-14 moment method. It introduces a novel mathematical model for describing collision dynamics, an algorithm for computing moments of the collision operator, and derivation of reaction rates for chemical reactions outside of equilibrium. The importance of considering a fourteen moment system over a thirteen one is highlighted, along with numerical experiments studying the relaxation of the Grad's-14 moment system to equilibrium.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2021)
Article
Computer Science, Interdisciplinary Applications
Gauthier Wissocq, Said Taileb, Song Zhao, Pierre Boivin
Summary: This article introduces a numerical model based on the lattice Boltzmann method (LBM) for simulations of gaseous detonations. By carefully constructing a hybrid lattice Boltzmann scheme tailored for multi-species reactive flows, the proposed method is able to accurately simulate detonation structures and instabilities.
JOURNAL OF COMPUTATIONAL PHYSICS
(2023)
Article
Chemistry, Physical
Hao Wang, Guogang Yang, Shian Li, Qiuwan Shen, Jiadong Liao, Ziheng Jiang, Mayken Espinoza-Andaluz, Fengmin Su, Xinxiang Pan
Summary: In this paper, the lattice Boltzmann method was used to investigate the permeability and internal fluid behavior of the gas diffusion layer. It was found that a linear porosity gradient distribution resulted in higher permeability values compared to other types, and optimal porosity gradient distributions at specific porosities led to enhanced permeability.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Jiapei Yang, Linlin Fei, Xiaoqing Zhang, Xiao Ma, Kai H. Luo, Shijin Shuai
Summary: The study investigates the dynamic behavior of liquid droplets on a reconstructed real gas diffusion layer (GDL) surface with inertial effects from a 3D flow channel using an improved pseudopotential multiphase model within the ULBM framework. Results show that the droplet behavior on the surface is influenced by inertia and contact angles.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Electrochemistry
M. Sepe, P. Satjaritanun, I. V. Zenyuk, N. Tippayawong, S. Shimpalee
Summary: The study utilized the lattice Boltzmann method to investigate liquid distribution in GDL samples with the addition of an MPL, revealing that liquid tends to travel through cracks in the MPL surface into the GDL geometry under pressure, resulting in a more even saturation distribution across the sample.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Engineering, Chemical
Can Ke, Bin Yuan, Yue Li, Wei Zhang, Caili Dai, Xvpeng Liu, Mingliang Han
Summary: A novel hybrid pore-scale simulation method combining Lattice-Boltzmann and Langevin-Dynamics is proposed to investigate the physical phenomena of nanoparticles at the oil/water interface. The method accurately characterizes oil-water interactions and introduces thermal fluctuation-dissipation and particle-particle interactions. The simulations provide insights into the adsorption and diffusion behavior of nanoparticles at the interface, and establish a modified Langmuir adsorption equation for more accurate quantification. The results show that high concentration small-size nanofluids can accelerate the adsorption process, and the lateral and longitudinal diffusion coefficients are obtained to explain the underlying mechanisms.
Article
Mathematics
Jiri Furst, Tomas Halada, Milan Sedlar, Tomas Kratky, Pavel Prochazka, Martin Komarek
Summary: This article presents a numerical simulation of flow in the discharge object with the welded siphon and the free water level using the lattice Boltzmann method, Volume-of-Fluid approach, and Smagorinski LES model. The study discusses various aspects of the numerical method and compares the results with CFD simulations, analyzing the evolution and interactions of main flow structures through visualizations and spectral analysis.
Article
Multidisciplinary Sciences
Fengchang Yang, Andrew G. Stack, Vitalii Starchenko
Summary: Rates and extents of mineral precipitation in porous media are difficult to predict, requiring complex numerical simulation methods. Researchers have developed a multiphase solver that can accurately simulate the dynamic evolution of interfaces and crystal growth directions in the process of mineral precipitation.
SCIENTIFIC REPORTS
(2021)
Article
Energy & Fuels
Xiangyu Liu, Liehui Zhang, Yulong Zhao, Xiao He, Jianfa Wu, Shaowen Su
Summary: In this study, the dimensionless relaxation time expression was modified and the Peng-Robinson equation of state (P-R EOS) was introduced to the microscale gas flow lattice Boltzmann model. Various transport mechanisms for shale gas flow in nanopores were considered, and the contributions of different factors to the total gas flow rate were studied. The results indicated that different transport mechanisms have varying influences on shale gas flow in nanopores under different conditions.
Article
Energy & Fuels
Hong Zuo, Cheng Zhai, Shouchun Deng, Xiaofang Jiang, Farzam Javadpour
Summary: In this study, gaseous microflow in nanoporous media of ultratight shale strata was reexamined using ultra-precise FIB-SEM experiments and the Quartet Structure Generation Set (QSGS) method. A high-performance, parallelized MRT-LBM model was developed to predict shale gas flow in reconstructed nanoporous media, and it accurately predicted gaseous microflow in different flow regimes. Pore-scale simulations were performed to study the effects of pore heterogeneity and slippage on shale gas permeability, revealing that gas slippage is suppressed by pore tortuosity, wall curvature, and surface roughness.
Article
Chemistry, Multidisciplinary
Linlin Fei, Feifei Qin, Jianlin Zhao, Dominique Derome, Jan Carmeliet
Summary: In this work, a numerical model for isothermal liquid-vapor phase change is proposed based on the pseudopotential lattice Boltzmann method. The model is verified and applied to study convective drying of a dual-porosity porous medium at the pore scale, providing new insights into the drying physics and direct modeling at the pore scale.
Article
Mechanics
D. A. Medvedev, A. L. Kupershtokh
Summary: The behavior of dielectric droplets and films on a solid surface under different electric field configurations shows a variety of effects, including elongation, spreading, breakup, and the formation of annular structures. This phenomenon is important for experimenters to study different effects under electric field.
Article
Environmental Sciences
Shiyu Wang, Jialin Zhuo, Fengcong Jia, Liuhong Deng, Hongru Wang, Yu Han
Summary: This paper proposes a pollution diffusion model that accurately assesses changes in instantaneous river pollution in vegetation open channels. The model is established based on cellular automata and lattice Boltzmann method (LBM-CA). The results show that the LBM-CA model has high accuracy and that pollutants tend to accumulate in vegetation areas, thereby extending the residence time of pollutants. The model incorporates pollution limits, allowing the prediction of basin pollution levels at specific times. The LBM-CA model provides a method for simulating pollutant diffusion in natural rivers.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Chemistry, Physical
Saleh Mohammadrezaei, Majid Siavashi, Sasan Asiaei
Summary: In this study, a volume of fluid-based lattice Boltzmann method (VOF-LBM) is developed to investigate the wettability of solid surfaces and dynamic behavior of droplets. Experimental validation is conducted, and the effect of different pillar patterns and topographies on contact angle and droplet motion is studied.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Jiajun Wang, Gangtao Liang, Xiangwei Yin, Shengqiang Shen
Summary: In this study, pool boiling on micro-pillar structured surfaces was investigated using a three-dimensional pseudo potential phase-change lattice Boltzmann method. The joint enhancing effects of surface wettability and pillar geometrical parameters on bubble nucleation and boiling performance were analyzed. It was found that on neutral and hydrophobic surfaces, increasing the spacing of micro pillars delayed nucleation, but reduced the temperature inside the vapor film and improved heat conduction. On hydrophilic surfaces, the impact of pillar spacing on nucleation was non-monotonic and more complex, with an enhanced heat flux and significantly different nucleation positions.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2023)
Article
Energy & Fuels
Huifang Song, Zhirong Liang, Zhixi Chen, Sheikh S. Rahman
Summary: The study focused on numerically modeling fracture propagation in viscoelastic formations, revealing that creep leads to wider and longer fractures, lower propagation pressure, and more efficient fluid diffusion. For mixed-mode fracturing, the creep of the formation facilitates faster fracture propagation.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(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
Energy & Fuels
Artur Shapoval, Mohammed Alzahrani, Wenjia Xue, Xiang Qi, Sheikh Rahman
Summary: High-resolution microtomography was used to visualize emulsions formed in heterogeneous carbonate rocks by seawater and ion-tuned brines. The study also examined interfacial tension and emulsion stability in a laboratory setting. Results showed that in-situ emulsification plays a role in enhancing oil recovery, but other mechanisms such as wettability alteration are also important.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
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.
