An indicator-based problem reduction scheme for coupled reactive transport models

Freeman, Brubeck Lee, Cleall, Peter John ORCID: https://orcid.org/0000-0002-4005-5319 and Jefferson, Anthony Duncan ORCID: https://orcid.org/0000-0002-2050-2521 2019. An indicator-based problem reduction scheme for coupled reactive transport models. International Journal for Numerical Methods in Engineering 120 (13) , pp. 1428-1455. 10.1002/nme.6186

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Abstract

A number of effective models have been developed for simulating chemical transport in porous media; however, when a reactive chemical problem comprises multiple species within a substantial domain for a long period of time, the computational cost can become prohibitively expensive. This issue is addressed here by proposing a new numerical procedure to reduce the number of transport equations to be solved. This new problem reduction scheme (PRS) uses a predictor-corrector approach, which ‘predicts’ the transport of a set of non-indicator species using results from a set of indicator species before ‘correcting’ the non-indicator concentrations using a mass balance error measure. The full chemical transport model is described along with an experimental validation. The PRS scheme is then presented together with an investigation, based on a 16 species reactive advective-diffusion problem, which determines the range of applicability of different orders of PRS. The results of a further study are presented in which a set of PRS simulations are compared with those from full model predictions. The application of the scheme to the intermediate-sized problems considered in the present study showed reductions of up to 82 % in CPU time with good levels of accuracy maintained.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Advanced Research Computing @ Cardiff (ARCCA) Engineering
Subjects:	T Technology > TA Engineering (General). Civil engineering (General)
Publisher:	Wiley
ISSN:	0029-5981
Funders:	EPSRC
Date of First Compliant Deposit:	29 July 2019
Date of Acceptance:	26 July 2019
Last Modified:	09 Nov 2024 01:30
URI:	https://orca.cardiff.ac.uk/id/eprint/124571

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