Preprints
https://doi.org/10.5194/gmd-2021-284
https://doi.org/10.5194/gmd-2021-284

Submitted as: model description paper 23 Sep 2021

Submitted as: model description paper | 23 Sep 2021

Review status: this preprint is currently under review for the journal GMD.

The PFLOTRAN Reaction Sandbox

Glenn E. Hammond Glenn E. Hammond
  • Environmental Subsurface Science Group, Pacific Northwest National Laboratory, Richland, WA 99352

Abstract. As modern reactive transport simulators evolve to accommodate the demands of a user community, researchers need a platform for prototyping new biogeochemical processes, many of which are niche and specific to laboratory or field experiments. The PFLOTRAN Reaction Sandbox leverages modern, object oriented Fortran in an attempt to provide such an environment within an existing reactive transport simulator. This work describes the PFLOTRAN Reaction Sandbox concept and implementation through several illustrative examples. Reaction Sandbox Biodegradation Hill customizes the existing microbially-mediated biodegradation reaction formulation within PFLOTRAN to better match empirical data. Reaction Sandbox Simple provides an isolated environment for testing numerous preconfigured kinetic rate expressions and developing user intuition. Reaction Sandbox Example serves as a template for creating new sandboxes within PFLOTRAN.

Glenn E. Hammond

Status: open (until 19 Nov 2021)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on gmd-2021-284', Bhavna Arora, 06 Oct 2021 reply

Glenn E. Hammond

Glenn E. Hammond

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Short summary
This paper describes a simplified interface for implementing and testing new chemical reactions within the reactive transport simulator PFLOTRAN. The manuscript describes the interface, providing example code for the interface. The paper includes several chemical reactions implemented through the interface.