22–25 May 2023
Europe/London timezone

Alquimia: A generic interface to biogeochemical codes

24 May 2023, 16:10
1h 30m
Poster Presentation (MS08) Mixing, dispersion and reaction processes across scales in heterogeneous and fractured media Poster

Speaker

Sergi Molins (Lawrence Berkeley National Laboratory)

Description

Multicomponent reactive transport codes couple biogeochemical models with solvers for flow and transport and other relevant processes. Many of these codes are the legacy of years of development and research, over which model complexity has increased incrementally. Often the complexity of implementing a comprehensive and flexible treatment of biogeochemistry is a significant obstacle to the development of new biogeochemical capabilities. As a result, this step is often circumvented by coupling flow and transport codes to existing biogeochemical codes. However, this is typically done as a one-off to a specific code. In this poster presentation, Alquimia, an open-source software library is introduced that provides a generic interface to existing biogeochemical capabilities. This software is intended to facilitate interoperable code development by exposing tried-and-true biogeochemical capabilities in existing software. To exemplify its use, the geochemical capabilities in the open-source reactive transport codes PFLOTRAN and CrunchFlow are made available via Alquimia's generic interface. This interface is then used to add geochemical capabilities to Amanzi and ParFlow. We show that because Alquimia allows for different geochemical codes to share flow and transport solver, and therefore the same spatial discretization, time stepping control, and coupling schemes, it may be a useful tool for benchmarking. We also present examples of how Alquimia has enabled incorporation of geochemical capabilities to codes for a range of applications.

Participation In-Person
Country United States
MDPI Energies Student Poster Award No, do not submit my presenation for the student posters award.
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Primary authors

Sergi Molins (Lawrence Berkeley National Laboratory) Benjamin Andre Glenn Hammond Jeffrey Jonhson Benjamin Sulman Konstantin Lipnikov Marcus Day James Beisman Daniil Svyatskiy Carl Steefel (Lawrence Berkeley National Laboratory) John David Moulton (Los Alamos National Laboratory)

Presentation materials

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