Articles | Volume 17, issue 24
https://doi.org/10.5194/gmd-17-8955-2024
https://doi.org/10.5194/gmd-17-8955-2024
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

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Cited articles

Ahamed, F., You, Y., Burgin, A., Stegen, J. C., Scheibe, T. D., and Song, H. S.: Exploring the determinants of organic matter bioavailability through substrate-explicit thermodynamic modeling, Front. Water, 5, 1169701, https://doi.org/10.3389/frwa.2023.1169701, 2023. 
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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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