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A worksheet-based tool to implement reactive transport models in COMSOL Multiphysics.

Rubén López-Vizcaíno1, Ángel Yustres1, Virginia Cabrera1

  • 1Geoenvironmental Group, Civil Engineering School, University of Castilla-La Mancha, Avda. Camilo José Cela s/n, 13071, Ciudad Real, Spain.

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Summary
This summary is machine-generated.

This study introduces the EE4MGM tool, an Excel-based solution for flexible reactive transport modeling. It simplifies the creation of COMSOL models for environmental simulations, enhancing adaptability.

Keywords:
COMSOLCode editorGeochemical modelMS ExcelMultiphysics simulationReactive transport

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Area of Science:

  • Environmental Science
  • Computational Science

Background:

  • Numerical codes for reactive transport modeling often lack flexibility, hindering adaptation to new environmental challenges.
  • Current multiphysics platforms typically couple geochemical codes to transport equations using operator splitting, limiting adaptability.

Purpose of the Study:

  • To present the EE4MGM tool, a novel MS Excel worksheet for the flexible edition and implementation of reactive transport models in COMSOL.
  • To overcome the limitations of existing codes by enabling automatic code generation for customized reactive transport simulations.

Main Methods:

  • Development of the EE4MGM tool as an MS Excel worksheet.
  • Automatic generation of COMSOL-compatible code based on user-selected geochemical species.
  • Implementation and testing of the tool using one and two-dimensional domain examples.

Main Results:

  • The EE4MGM tool facilitates the automatic generation of reactive transport models tailored to specific geochemical systems.
  • The tool allows for easy adaptation of model complexity, enhancing flexibility in environmental modeling.
  • Successful demonstration of the tool's utility through one and two-dimensional case studies.

Conclusions:

  • The EE4MGM tool significantly enhances the flexibility and ease of implementation for reactive transport models in COMSOL.
  • This approach removes barriers associated with code modification and developer dependency, promoting wider use in environmental modeling.