4.8 Review

Pore-scale modeling of complex transport phenomena in porous media

Journal

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.pecs.2021.100968

Keywords

Pore-scale modeling; Porous media; Multiphase flow; Reactive transport; Interfacial phenomena; Fuel cells

Funding

  1. National Natural Science Foundation of China [51776159, 51836005]
  2. Shaanxi Province Science Fund for Distinguished Young Scholars [2019JC-01]
  3. Fundamental Research Funds for the Central Universities
  4. LANL's LDRD Program
  5. Swiss National Science Foundation [175793]
  6. New Energy and Industrial Technology Development Organization (NEDO) , Japan

Ask authors/readers for more resources

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.
Porous media play important roles in a wide range of scientific and engineering problems. Recently, with their increasing application in energy conversion and storage devices, such as fuel cells, batteries and supercapacitors, it has been realized that transport processes and reactions occurring in the pores and at the interfaces of different constituents significantly affect the performance of the porous media, yet these pore-scale transport phenomena are not well described or even neglected in the conventional numerical models based on the representative element volume (REV). Pore-scale modeling is an efficient tool for the simulation of pore-scale transport and reactions in porous media because of its ability to accurately characterize these processes and to provide the distribution details of important variables which are challenging for current experimental techniques to provide either due to lack of in-situ measurement capability or due to the limited spatial and temporal resolution. In the present review, the advances and challenges of the state-of-the-art pore-scale modeling are summarized. The practical applications of pore-scale modeling in the fields of geoscience, polymer exchange membrane fuel cells (PEMFC) and solid oxide fuel cells (SOFC) are discussed. Notable results from the pore-scale modeling are presented, and the challenges facing the pore-scale model development are discussed. This in-depth review is intended to give a well-rounded introduction of critical aspects on which the pore-scale modeling can shed light in the development of relevant scientific and engineering systems.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.8
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Engineering, Chemical

Grain-scale study of the grain boundary effect on UO2 fuel oxidation and fission gas release under reactor conditions

Min Liu, Qinjun Kang, Hongwu Xu

Summary: This study investigates the oxidation of UO2 and its impact on fuel behaviors under reactor conditions using a grain-scale reactive transport model. The research reveals the influence of grain boundary density and diffusivity on oxidation process, providing insights into the effects of fuel microstructure on fuel behaviors.

CHEMICAL ENGINEERING SCIENCE (2021)

Article Engineering, Chemical

Pore-scale simulation of drying in porous media using a hybrid lattice Boltzmann: pore network model

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.

DRYING TECHNOLOGY (2022)

Article Computer Science, Interdisciplinary Applications

A physics-informed and hierarchically regularized data-driven model for predicting fluid flow through porous media

Kun Wang, Yu Chen, Mohamed Mehana, Nicholas Lubbers, Kane C. Bennett, Qinjun Kang, Hari S. Viswanathan, Timothy C. Germann

Summary: This paper introduces a new deep learning data-driven model for predicting structure dependent pore-fluid velocity fields in rock, which innovatively decomposes the porous media domain, embeds physics knowledge, and regularizes training with a hierarchical loss function. The model demonstrates improved accuracy and generalizability, along with orders of magnitude speed-ups in computation time, serving as a surrogate for direct numerical simulations.

JOURNAL OF COMPUTATIONAL PHYSICS (2021)

Article Engineering, Chemical

Numerical modeling of ion transport and adsorption in porous media: A pore-scale study for capacitive deionization desalination

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.

DESALINATION (2022)

Article Environmental Sciences

A Dynamic Pore Network Model for Imbibition Simulation Considering Corner Film Flow

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

A Dataset of 3D Structural and Simulated Transport Properties of Complex Porous Media

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.

SCIENTIFIC DATA (2022)

Article Energy & Fuels

Shale fundamentals: Experimental and modeling insights

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.

ENERGY REPORTS (2022)

Article Energy & Fuels

Geochemical Modelling of the Fracturing Fluid Transport in Shale Reservoirs

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.

ENERGIES (2022)

Review Energy & Fuels

Minireview on Lattice Boltzmann Modeling of Gas Flow and Adsorption in Shale Porous Media: Progress and Future Direction

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.

ENERGY & FUELS (2023)

Article Engineering, Civil

Competition between main meniscus and corner film flow during imbibition in a strongly wetting square tube

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

Pore-scale study of mineral dissolution in heterogeneous structures and deep learning prediction of permeability

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.

PHYSICS OF FLUIDS (2022)

Article Energy & Fuels

3D Thermal-Chemical Reactive Transport Modeling of Fluid-UO2 Reactions under Geological Repository Conditions

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

Lattice Boltzmann modelling of colloidal suspensions drying in porous media accounting for local nanoparticle effects

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

Minireview on Lattice Boltzmann Modeling of Gas Flow and Adsorption in Shale Porous Media: Progress and Future Direction

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.

ENERGY & FUELS (2023)

Review Thermodynamics

Advances in thermal energy storage: Fundamentals and applications

Hafiz Muhammad Ali, Tauseef-ur Rehman, Muesluem Arici, Zafar Said, Benjamin Durakovic, Hayder I. Mohammed, Rajan Kumar, Manish K. Rathod, Ozge Buyukdagli, Mohamed Teggar

Summary: Thermal energy storage is becoming increasingly important due to the challenges posed by intermittent renewable energy and waste heat dissipation. This paper discusses the fundamentals and novel applications of thermal energy storage materials and presents a multi-criteria decision making approach to select suitable materials. Recent advancements include materials with enhanced thermal conductivity and multiple phase change temperatures, as well as the application of nanomaterials and shape-stabilized materials in thermal energy storage.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2024)

Review Thermodynamics

A review on the recent advances of flash boiling atomization and combustion applications

Xuesong Li, Shangning Wang, Shangze Yang, Shuyi Qiu, Zhe Sun, David L. S. Hung, Min Xu

Summary: This review article summarizes recent advances in flash boiling atomization using experimental approaches. It discusses the gas-liquid characteristics and primary breakup of flash boiling sprays, the characteristics of flash boiling spray plumes, and practical issues in adopting flash boiling atomization. Practical applications of flash boiling atomization in combustors are also presented.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2024)

Review Thermodynamics

Thermal state monitoring of lithium-ion batteries: Progress, challenges, and opportunities

Yusheng Zheng, Yunhong Che, Xiaosong Hu, Xin Sui, Daniel-Ioan Stroe, Remus Teodorescu

Summary: This paper provides a comprehensive review of temperature estimation techniques in battery systems, discussing potential metrics, different estimation methods, and their strengths and limitations in battery management. The challenges and future opportunities in battery thermal state monitoring are also identified and discussed.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2024)