DOE OSTI · code-115054
LLNL Automized Surface Titration Model
Abstract
The LLNL Automized Surface Titration Model (L-ASTM) is a community data-driven surface complexation modeling workflow for simulating potentiometric titration of mineral surfaces. The model accepts raw experimental potentiometric titration data formatted in a findable, accessible, interoperable, and reusable (FAIR) structure. The workflow was coded in Python and coupled to PHREEQC for surface complexation modeling and PEST for data fitting and parameter estimation.
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Solchan, Han, Chang, ElliotS, Zavarin, Mavrik. 2023-09-29. LLNL Automized Surface Titration Model. https://doi.org/10.11578/dc.20231030.1
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