PHREEQC-based fitting of the apparent solubility constant for HgS nanoparticles

Description

This dataset contains the input data, PHREEQC template, Python script, and output files used to estimate the apparent solubility constant of mercury sulfide nanoparticles in a Hg(II)-sulfide system. The Python script calls a local PHREEQC executable, generates sample-specific PHREEQC input files from the template, compares modeled and observed dissolved Hg concentrations, and optimizes the apparent log_k value for the reaction HgS_nano + H+ = Hg+2 + HS-. The dataset also includes modeled Hg speciation outputs and residuals for model-observation comparison.

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