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Title: Coupled numerical approach combining finite volume and lattice Boltzmann methods for multi-scale multi-physicochemical processes

A coupled (hybrid) simulation strategy spatially combining the finite volume method (FVM) and the lattice Boltzmann method (LBM), called CFVLBM, is developed to simulate coupled multi-scale multi-physicochemical processes. In the CFVLBM, computational domain of multi-scale problems is divided into two sub-domains, i.e., an open, free fluid region and a region filled with porous materials. The FVM and LBM are used for these two regions, respectively, with information exchanged at the interface between the two sub-domains. A general reconstruction operator (RO) is proposed to derive the distribution functions in the LBM from the corresponding macro scalar, the governing equation of which obeys the convection–diffusion equation. The CFVLBM and the RO are validated in several typical physicochemical problems and then are applied to simulate complex multi-scale coupled fluid flow, heat transfer, mass transport, and chemical reaction in a wall-coated micro reactor. The maximum ratio of the grid size between the FVM and LBM regions is explored and discussed. -- Highlights: •A coupled simulation strategy for simulating multi-scale phenomena is developed. •Finite volume method and lattice Boltzmann method are coupled. •A reconstruction operator is derived to transfer information at the sub-domains interface. •Coupled multi-scale multiple physicochemical processes in micro reactor are simulated. •Techniquesmore » to save computational resources and improve the efficiency are discussed.« less
Authors:
;  [1] ;  [2] ;  [1]
  1. Key Laboratory of Thermo-Fluid Science and Engineering of MOE, School of Energy and Power Engineering, Xi'an Jiaotong University, Xi'an, Shaanxi 710049 (China)
  2. Computational Earth Science Group (EES-16), Los Alamos National Laboratory, Los Alamos, NM (United States)
Publication Date:
OSTI Identifier:
22230827
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Computational Physics; Journal Volume: 255; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICAL METHODS AND COMPUTING; CHEMICAL REACTIONS; COUPLING; DISTRIBUTION FUNCTIONS; EFFICIENCY; EQUATIONS; FLUID FLOW; HEAT TRANSFER; HYBRIDIZATION; INFORMATION; INTERFACES; POROUS MATERIALS; SIMULATION