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

Chen, Li; Zhang, Ruiyuan; Min, Ting; Kang, Qinjun; Tao, Wenquan

doi:10.1016/j.cej.2018.05.106

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

Journal Article · 19 May 2018 · Chemical Engineering Journal

DOI: https://doi.org/10.1016/j.cej.2018.05.106 · OSTI ID:1440457

Chen, Li ^[1]; Zhang, Ruiyuan ^[1]; Min, Ting ^[2]; Kang, Qinjun ^[3]; Tao, Wenquan ^[1]

Xi'an Jiaotong Univ. (China). Key Lab. of Thermo-Fluid Science and Engineering of MOE. School of Energy and Power Engineering
Xi'an Jiaotong Univ. (China). State Key Lab. for Mechanical Behavior of Materials. School of Materials Science and Engineering
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

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.

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Research Organization:: Los Alamos National Laboratory (LANL)

Sponsoring Organization:: USDOE; LANL Laboratory Directed Research and Development (LDRD) Program; National Key Research and Development Program (China); National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1440457

Report Number(s):: LA-UR-18-23680

Journal Information:: Chemical Engineering Journal, Journal Name: Chemical Engineering Journal Vol. 349; ISSN 1385-8947

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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