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Title: Pore-scale study of effects of macroscopic pores and their distributions on reactive transport in hierarchical porous media

Abstract

For applications of reactive transport in porous media, optimal porous structures should possess both high surface area for reactive sites loading and low mass transport resistance. Hierarchical porous media with a combination of pores at different scales are designed for this purpose. In this paper, using the lattice Boltzmann method, pore-scale numerical studies are conducted to investigate diffusion-reaction processes in 2D hierarchical porous media generated by self-developed reconstruction scheme. Complex interactions between porous structures and reactive transport are revealed under different conditions. Simulation results show that adding macropores can greatly enhance the mass transport, but at the same time reduce the reactive surface, leading to complex change trend of the total reaction rate. Effects of gradient distribution of macropores within the porous medium are also investigated. It is found that a front-loose, back-tight (FLBT) hierarchical structure is desirable for enhancing mass transport, increasing total reaction rate, and improving catalyst utilization. Finally, on the whole, from the viewpoint of reducing cost and improving material performance, hierarchical porous structures, especially gradient structures with the size of macropores gradually decreasing along the transport direction, are desirable for catalyst application.

Authors:
 [1];  [1];  [2];  [3];  [1]
  1. Xi'an Jiaotong Univ. (China). Key Lab. of Thermo-Fluid Science and Engineering of MOE. School of Energy and Power Engineering
  2. Xi'an Jiaotong Univ. (China). State Key Lab. for Mechanical Behavior of Materials. School of Materials Science and Engineering
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE; LANL Laboratory Directed Research and Development (LDRD) Program; National Key Research and Development Program (China); National Natural Science Foundation of China (NSFC)
OSTI Identifier:
1440457
Report Number(s):
LA-UR-18-23680
Journal ID: ISSN 1385-8947
Grant/Contract Number:  
AC52-06NA25396; 2017YFB0102702; 51776159
Resource Type:
Accepted Manuscript
Journal Name:
Chemical Engineering Journal
Additional Journal Information:
Journal Volume: 349; Journal ID: ISSN 1385-8947
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; Energy Sciences

Citation Formats

Chen, Li, Zhang, Ruiyuan, Min, Ting, Kang, Qinjun, and Tao, Wenquan. Pore-scale study of effects of macroscopic pores and their distributions on reactive transport in hierarchical porous media. United States: N. p., 2018. Web. doi:10.1016/j.cej.2018.05.106.
Chen, Li, Zhang, Ruiyuan, Min, Ting, Kang, Qinjun, & Tao, Wenquan. Pore-scale study of effects of macroscopic pores and their distributions on reactive transport in hierarchical porous media. United States. https://doi.org/10.1016/j.cej.2018.05.106
Chen, Li, Zhang, Ruiyuan, Min, Ting, Kang, Qinjun, and Tao, Wenquan. Sat . "Pore-scale study of effects of macroscopic pores and their distributions on reactive transport in hierarchical porous media". United States. https://doi.org/10.1016/j.cej.2018.05.106. https://www.osti.gov/servlets/purl/1440457.
@article{osti_1440457,
title = {Pore-scale study of effects of macroscopic pores and their distributions on reactive transport in hierarchical porous media},
author = {Chen, Li and Zhang, Ruiyuan and Min, Ting and Kang, Qinjun and Tao, Wenquan},
abstractNote = {For applications of reactive transport in porous media, optimal porous structures should possess both high surface area for reactive sites loading and low mass transport resistance. Hierarchical porous media with a combination of pores at different scales are designed for this purpose. In this paper, using the lattice Boltzmann method, pore-scale numerical studies are conducted to investigate diffusion-reaction processes in 2D hierarchical porous media generated by self-developed reconstruction scheme. Complex interactions between porous structures and reactive transport are revealed under different conditions. Simulation results show that adding macropores can greatly enhance the mass transport, but at the same time reduce the reactive surface, leading to complex change trend of the total reaction rate. Effects of gradient distribution of macropores within the porous medium are also investigated. It is found that a front-loose, back-tight (FLBT) hierarchical structure is desirable for enhancing mass transport, increasing total reaction rate, and improving catalyst utilization. Finally, on the whole, from the viewpoint of reducing cost and improving material performance, hierarchical porous structures, especially gradient structures with the size of macropores gradually decreasing along the transport direction, are desirable for catalyst application.},
doi = {10.1016/j.cej.2018.05.106},
journal = {Chemical Engineering Journal},
number = ,
volume = 349,
place = {United States},
year = {2018},
month = {5}
}

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Cited by: 55 works
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Figures / Tables:

Fig. 1 Fig. 1: Porous structure generation. (a) 2D porous medium with porosity of 0.65. (b) Schematic of skeletization method to determine local pore size. (c) Pore size distribution of final porous structures in (d) the final 2D porous medium generated with size of 2000 x 400 lattices and porosity of 0.515.

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