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Two-layer datasets

Two-layer datasets. File → New → Sorbing Surfaces → t wo-layer. Enter a unique identifier for the sorbing surface. You can optionally set a constant potential or capacitance for your surface. Aqueous species are drawn from a thermo dataset to create surface reactions.

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Two-layer datasets

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  1. Two-layer datasets

  2. File → New → SorbingSurfaces → two-layer Enter a unique identifier for the sorbing surface. You can optionally set a constant potential or capacitance for your surface. Aqueous species are drawn from a thermo dataset to create surface reactions

  3. Two-layer datasets must have one or more sorbing sites – the Basis species Uncomplexed, uncharged strongly sorbing site Right click → add Compose new Basis species >(s)FeOH from elements.

  4. Add surface protonation, deprotonation, and complexation reactions. Deprotonated strong sorbing site. Right click → add Equilibrium constant for deprotonation reaction. Supply reaction coefficients Add uncomplexedsites and aqueous species to construct a surface complex.

  5. Associate surface sites with minerals from a thermo dataset and set their site density. Fe(OH)3(ppd) selected from list of minerals in thermo dataset. Asp Right click → add Each sorbing mineral can contain one or more of the sorbing sites (the surface basis species).

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