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

Freeman, Brubeck Lee, Cleall, Peter John ORCID: and Jefferson, Anthony Duncan ORCID: 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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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: 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: 13 Nov 2023 07:27

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