Coarse-Grained-Particle Method for Simulation of Liquid–Solids Reacting Flows

Lu, Liqiang; Yoo, Kisoo; Benyahia, Sofiane

doi:10.1021/acs.iecr.6b02688

Title: Coarse-Grained-Particle Method for Simulation of Liquid–Solids Reacting Flows

Journal Article · Thu Sep 08 00:00:00 EDT 2016 · Industrial and Engineering Chemistry Research

DOI:https://doi.org/10.1021/acs.iecr.6b02688· OSTI ID:1477859

Lu, Liqiang ^[1]; Yoo, Kisoo ^[1]; Benyahia, Sofiane ^[1]

National Energy Technology Lab. (NETL), Morgantown, WV (United States)

A coarse-grained-particle method (CGPM) that tracks fewer particles and their collisions by lumping several real particles into computational parcels is developed. We demonstrate that the accuracy of CGPM can be improved by properly selecting interpolation schemes used to compute flow variables at particle and computational grid locations. The computational speed of CGPM was shown to be similar to that of a widely used and less accurate particle in cell method (PIC). Finally, a chemical reaction mechanism based on rare earth elements (REE) leaching from coal byproducts was implemented with CGPM to study the effects of several flow and design parameters on the leaching process. A counter-current reactor was studied and optimized to maximize the mass fraction of REE in the liquid solution. As a result, the CGPM can now be employed to cheaply and accurately solve industrial-scale problems containing millions of computational parcels.

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Research Organization:: National Energy Technology Lab. (NETL), Morgantown, WV (United States)

Sponsoring Organization:: USDOE

OSTI ID:: 1477859

Journal Information:: Industrial and Engineering Chemistry Research, Vol. 55, Issue 39; ISSN 0888-5885

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 55 works

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Mathematical modelling of expanded bed adsorption - a perspective on in silico process design: Mathematical modelling of expanded bed adsorption Koppejan, Victor; Ferreira, Guilherme; Lin, Dong-Qiang Journal of Chemical Technology & Biotechnology, Vol. 93, Issue 7 https://doi.org/10.1002/jctb.5595	journal	April 2018

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