Published in Geoscientific Model Development, 2024
Organic matter (OM) composition plays a central role in microbial respiration of dissolved organic matter and subsequent biogeochemical reactions. Here, a direct connection of organic matter chemistry and thermodynamics to reactive transport simulators has been achieved through the newly developed Lambda-PFLOTRAN workflow tool that succinctly incorporates carbon chemistry data generated from Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) into reaction networks to simulate organic matter degradation and the resulting biogeochemistry.
Recommended citation: Muller, Katherine A; Jiang, Peishi; Hammond, Glenn E; Ahmadullah, Tasneem; Song, Hyun-Soeb; Ward, Nicholas; Bowe, Madison; Chu, Rosalie; Zhao, Qian; Garayburu-Caruso, Vanessa A; Roebuck, Alan; Chen, Xingyuan. “Lambda-PFLOTRAN 1.0: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling.” Geoscientific Model Development, 2024. doi:10.5194/gmd-17-8955-2024