A new operator-splitting finite element scheme for reactive transport modeling in saturated porous media

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Renchao Lu - , Helmholtz Centre for Environmental Research (Author)
  • Thomas Nagel - , Freiberg University of Mining and Technology, Helmholtz Centre for Environmental Research (Author)
  • Jenna Poonoosamy - , Jülich Research Centre (Author)
  • Dmitri Naumov - , Freiberg University of Mining and Technology (Author)
  • Thomas Fischer - , Helmholtz Centre for Environmental Research (Author)
  • Vanessa Montoya - , Helmholtz Centre for Environmental Research (Author)
  • Olaf Kolditz - , Chair of Applied Environmental Systems Analysis, Helmholtz Centre for Environmental Research (Author)
  • Haibing Shao - , Helmholtz Centre for Environmental Research (Author)

Abstract

The operator splitting approach has been widely accepted since it was introduced as a means to solve reactive transport problems. The conventional operator-splitting finite element scheme (Nodal-OS) handles speciation calculations on nodes, resulting in a mixing of heterogeneous reactions on opposing sides in multi-layer systems. Such mixing, however, is not physically accurate. In this context, we propose a new operator-splitting finite element scheme (IP-OS) for reactive transport modeling in saturated porous media. In contrast to the conventional scheme, speciation calculations are performed on integration points rather than on nodes in the new scheme. The implementation of the IP-OS scheme is verified through comparison with an analytical solution of a coupled diffusion–dissolution problem. On this basis, two representative benchmarks are used to examine the advantages and disadvantages of IP-OS. IP-OS is found to have the following advantages and disadvantages compared to Nodal-OS: (1) IP-OS is more accurate; (2) IP-OS is more straightforward to implement; (3) IP-OS is less sensitive to grid resolution and is numerically more stable with coarser grid spacing; and (4) IP-OS is computationally more expensive. In light of the above pros and cons, we recommend using Nodal-OS in cases where chemical reactions do not affect transport properties, and IP-OS in multi-layer heterogeneous cases where chemical reactions alter transport properties of porous media.

Details

Original languageEnglish
Article number105106
JournalComputers and Geosciences
Volume163
Publication statusPublished - Jun 2022
Peer-reviewedYes

Keywords

Keywords

  • Integration-point collocation scheme, Operator splitting approach, Reactive transport modeling