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[OLD] Swapping problems in Act2


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From: Paul Foellbach

Subject: swapping problems in Act

I attempt to figure a diagram with y-axis=log((aFe++)/(aCu+)^2) and x-axis=log fO2 to find out the stability of Pyrrotite, Magnetite, Bornite, Chalcopyrit, Hematit and Pyrit. The system contains Cu, Fe and S. The Temperature is 300°C.

Act2> swap Fe++/(Cu+)^2 for Fe++

-- Cannot identify bottom species in ratio

-- Don't know species Fe++/(Cu+)^2

Act2> show system

Diagram speciation of Fe++ on O2(g) vs Fe++

Temperature is 300 C, Pressure is 85.81 bars

Working directory: c:programmegwb3.0.1

Basis is:

Fe++ X-axis variable (main species)

H2O Activity = 10^0 (solvent)

S2(g) (swapped for SO4--) Fugacity = 10^-11.5

O2(g) (swapped for O2(aq)) Y-axis variable

X-axis plotted from -40 to .01; Y-axis from -30 to 0

I have got problems to swap Fe++/(Cu+)^2 for Fe++. Could anyone tell me how I figure this diagram?

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