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How to report selective consumption in React?


geominer
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I am simulating (in the React module) leaching of chalcopyrite with sodium cyanide. I would like to calculate how much of cyanide is consumed in reactions with copper versus those with iron. How can I do this? Can this also be done in X1t and SpecE8?

I am having trouble uploading the input file. But here is the text below:

######################################################################################

# React script
data = thermo_minteq_modAK.tdat verify
conductivity = conductivity-USGS.dat
porosity = .3
temperature = 25 C
H2O          = 1 free kg
Na+          = 600 mg/l
swap O2(g) for O2(aq)
O2(g)        = .2 fugacity
pH           = 11
CN-          = 600 mg/l
Fe+++        = 1e-8 mmol/kg
SO4--        = 1e-8 mg/l as S
Cu++         = 1e-8 mg/l
balance off
fix fugacity of O2(g)
fix pH
react 20 mmol of Chalcopyrite
suffix pH11
printout  basis = short  reactions = short

#########################################################################################

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Hello,

For your React simulation, you can plot species in concentration to see which aqueous species are forming. On the X-axis tab in Gtplot, you can plot the mass of chalcopyrite reacted (choose Reactant properties as your Variable type). On the Y-axis tab , select "Species in concentration" as your variable type and then filter to on the CN- component to see all species containing CN-. You can highlight and plot your copper cyanide species in your desired unit(e.g mmoles) and export the numerical data by going to Edit --> Copy and paste in an Excel Spreadsheet. You can sum the mass of CN- from all your copper cyanide species, be sure to account for any conversions needed. Repeat the same steps to see your iron cyanide species in solution. Since I don't have your customized dataset, I am not able to reproduce your exact system. You might also want to check whether or not if there are any copper cyanide or iron cyanide minerals that form. For more information regarding plotting, please see section 6 Gtplot in the GWB Reaction Modeling Guide.

You can plot species in concentration as a variable in both SpecE8 and X1t. Unlike React, SpecE8 only calculates a fluid's equilibrium state and it does not account for mineral titration as you have described in React. X1t is a reactive transport simulation application that will account for both geochemical reactions and mass transfer in a 1D domain. 

In the future, please post any new queries to the front page of the forum. We do not get alerts of new post in the GWB archive. 

Hope this helps,
Jia Wang
Aqueous Solutions LLC

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