Swap sorbing mineral into the basis

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Presentation transcript:

Swap sorbing mineral into the basis Set the fluid composition and mass of sorbing minerals on the Basis pane. The number of surface sites is proportional to the sorbing mineral’s mass Swap sorbing mineral into the basis

File → Open → Sorbing Surfaces… Surface complexation dataset for hydrous ferric oxide. You can add any number of sorbing surfaces.

File → View → …\FeOH.sdat You can view the loaded dataset of surface reactions in TEdit File → View → …\FeOH.sdat Surface complexes in the dataset Hematite surface site density The sorbing minerals contain the surface sites

On the Results pane, click Run to execute the calculation. Open text file Plot results with Gtplot

“View Results” opens text file Calculated surface charge, surface potential, and surface area Concentrations of surface complexes Boltzman factors describe the magnitude of electrostatic corrections System Eh is followed by Nernst Eh calculated for decoupled redox pairs

“Plot Results” opens Gtplot Select “Sorbed fractions” for the “Variable type” The anion SO4−− is strongly sorbed at pH 5.3, but not the cations. Select Nernstian Eh values