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Theoretical Equilibrium Lead (II) Solubility Revisited: Open Source Code and Practical Relationships
Citation:
Wahman, D., M. Pinelli, M. Schock, AND D. Lytle. Theoretical Equilibrium Lead (II) Solubility Revisited: Open Source Code and Practical Relationships. AWWA Water Science. John Wiley & Sons, Inc., Hoboken, NJ, 3(5):e1250, (2021). https://doi.org/10.1002/aws2.1250
Impact/Purpose:
The environmental or health problem addressed by the study: Theoretical equilibrium lead solubility simulations based on water chemistry A general description of the work and results: An existing lead solubility model (LEADSOL) was coded in a modern language that makes it accessible for broad use. The implemented code was verified against the LEADSOL results and used to produce new figures highlighting some practical considerations on lead solubility. The long term importance or significance of the findings: Provides a reproducible means of generating theoretical lead solubility simulations. Who would be interested in or could apply the results (e.g. program or regional partners, general public, local communities): Drinking water utilities, researchers, regulators, engineers, Regions, OW
Description:
An open source theoretical equilibrium lead (Pb) II solubility model was implemented in R based on the Fortran LEADSOL model, verified against LEADSOL, and used to simulate theoretical equilibrium total soluble Pb(II) (TOTSOLPb) concentrations under a variety of practical scenarios. The developed source code file (app.R) is publicly available for download at GitHub (https://github.com/USEPA/TELSS) along with instructions to run the source code locally, allowing the user to explore Pb(II) solubility by selecting desired simulation conditions (e.g., water quality, equilibrium constants, and Pb(II) solids to consider). In addition, the source code serves as a reproducible baseline for alternative model development and future model improvements, allowing users to update, modify, and share the source code to meet their needs. Using the source code, several solubility diagrams were generated to highlight practical relationships related to TOTSOLPb concentrations, including the impact of pH and dissolved inorganic carbon, orthophosphate, sulfate, and chloride concentrations.
URLs/Downloads:
DOI: Theoretical Equilibrium Lead (II) Solubility Revisited: Open Source Code and Practical Relationships
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