eprintid: 10190419
rev_number: 10
eprint_status: archive
userid: 699
dir: disk0/10/19/04/19
datestamp: 2024-04-10 08:27:44
lastmod: 2024-04-10 08:27:44
status_changed: 2024-04-10 08:27:44
type: article
metadata_visibility: show
sword_depositor: 699
creators_name: Liu, Zhiying
creators_name: Xu, Qianghui
creators_name: Yang, Junyu
creators_name: Luo, Kai H
creators_name: Shi, Lin
title: Microcontinuum approach to multiscale modeling of multiphase reactive flow during mineral dissolution
ispublished: pub
divisions: UCL
divisions: B04
divisions: C05
divisions: F45
note: This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions.
abstract: Image-based modeling of mineral dissolution poses challenges due to its multiscale nature, requiring the consideration of multiphase reactive flow and transport at both the resolved pore scale (macropores/fractures) and the unresolved Darcy scale (micropores). The existing hybrid-scale simulation methods pose difficulties in handling the multiscale fluid-rock interactions and temporal structural evolution. In this study, we propose a multiscale compressive continuum species transfer (MC-CST) scheme to address the limitations of the standard CST scheme, which exhibits numerical diffusion issues at the gas-liquid interface and thereby suffers from inaccuracies in reactive transport simulations. The proposed scheme incorporates an additional compressive term derived from volume-averaging principles for the advection and diffusion fluxes in a single-field framework. To ensure the impermeable species transport condition at the solid boundary, a concentration extrapolation algorithm is developed. Four validation cases are conducted to demonstrate the model's capability in accurately simulating multiphase reactive flow and transport at various scales, including pore scale, continuum scale, and hybrid scales. Special attention is given to accurately modeling the thermodynamic conditions at the gas-liquid interface, particularly with respect to the concentration jump under conditions of large local Péclet numbers. Furthermore, we present a case study simulating calcite dissolution in a porous medium to underscore the importance of multiscale fluid-rock interactions for an in-depth comprehension of the dissolution regime.
date: 2024-04
date_type: published
publisher: American Physical Society (APS)
official_url: http://dx.doi.org/10.1103/physrevfluids.9.043801
oa_status: green
full_text_type: pub
language: eng
primo: open
primo_central: open_green
verified: verified_manual
elements_id: 2266472
doi: 10.1103/physrevfluids.9.043801
lyricists_name: Luo, Kai
lyricists_id: KLUOX54
actors_name: Luo, Kai
actors_id: KLUOX54
actors_role: owner
full_text_status: public
publication: Physical Review Fluids
volume: 9
number: 4
article_number: 043801
issn: 2469-990X
citation:        Liu, Zhiying;    Xu, Qianghui;    Yang, Junyu;    Luo, Kai H;    Shi, Lin;      (2024)    Microcontinuum approach to multiscale modeling of multiphase reactive flow during mineral dissolution.                   Physical Review Fluids , 9  (4)    , Article 043801.  10.1103/physrevfluids.9.043801 <https://doi.org/10.1103/physrevfluids.9.043801>.       Green open access   
 
document_url: https://discovery.ucl.ac.uk/id/eprint/10190419/2/Luo%202024%20PRF%20mineral.pdf