Geoscientific Model Development
Geoscientific Model Development
GMD
Articles | Volume 17, issue 24
Articles | Volume 17, issue 24
https://doi.org/10.5194/gmd-17-8955-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/gmd-17-8955-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 17, issue 24
Model description paper
 | 
19 Dec 2024
Model description paper |  | 19 Dec 2024

Lambda-PFLOTRAN 1.0: a workflow for incorporating organic matter chemistry informed by ultra high resolution mass spectrometry into biogeochemical modeling

Katherine A. Muller, Peishi Jiang, Glenn Hammond, Tasneem Ahmadullah, Hyun-Seob Song, Ravi Kukkadapu, Nicholas Ward, Madison Bowe, Rosalie K. Chu, Qian Zhao, Vanessa A. Garayburu-Caruso, Alan Roebuck, and Xingyuan Chen

Supplement

https://doi.org/10.5194/gmd-17-8955-2024-supplement

Data sets

Data and Scripts associated with “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling.” Katherine A. Muller et al. https://doi.org/10.15485/2281403

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Short summary
The new Lambda-PFLOTRAN workflow incorporates organic matter chemistry into reaction networks to simulate aerobic respiration and biogeochemistry. Lambda-PFLOTRAN is a Python-based workflow in a Jupyter notebook interface that digests raw organic matter chemistry data via Fourier transform ion cyclotron resonance mass spectrometry, develops a representative reaction network, and completes a biogeochemical simulation with the open-source, parallel-reactive-flow, and transport code PFLOTRAN.
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