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Dear Christophe, The maximum sorbed capacity for each metal is calculated outside of React. From Gtplot or the text output file of the simulation, you can see that there are 0.89 mmoles of Fe(OH)3ppd precipitated. Then in the surface dataset (FeOH+.sdat) you can find the sorbing density, which is 0.005 mol of strong sites and 0.2 mol of weak sites per mole of Fe(OH)3ppd. Then you look at each metal and see if they sorb onto weak, strong, or weak and strong sites. To calculate the maximum capacity for each metal, assume that there is only one metal sorbing to the mineral surface at a time. Just multiply the mineral mass by the site density of each appropriate site and convert to mg/kg. For As(OH)4-, it's 0.00089 mol/kg * .2 mol sites/mol * 142.951 g/mol * 1000 g/kg = 25.4 mg/kg. For metals that include strong sites, include those as well. The ‘in solution’ component concentrations are reported directly by React under ‘Components in fluid’. You can select to plot ‘Components in fluid’ vs. pH in the XY Plot Configuration dialog in Gtplot and export the numerical data using the method described in my previous response. Alternatively, you can also open the text output file and look for the concentrations of the desired components at each time step listed under ‘Original basis’ text block in the column ‘in fluid’. Hope this helps. Best, Jia Wang