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report mass of simple reactant


lau_sin
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Hi,

I am running X1t with Quartz as a "simple" reactant. After the run, I would like to use the "report" command to display the mass of Quartz in the system (in kg). I have tried:

 

report set_units kg

report mass Quartz

 

And this does not return the correct number. I can get it to work by changing Quartz to a kinetic mineral and using "report mass_remaining Quartz" but this slows down the simulation significantly.

 

How can I fix this?

 

Thank you

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Hi,

 

What do you mean the number is not correct? Are you comparing with mineral mass in Xtplot or X1t's text output file? Since you're using X1t, are you making sure to specify the correct nodal block? You would use

 

report set_node 0

report set_node 99

 

to get results for the first or last node, respectively, in a domain consisting of 100 nodal blocks.

 

Hope this helps,

 

Brian Farrell

Aqueous Solutions LLC

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Hi again,

 

I thought about this a little more and set up a simple model in React.

 

H2O = 1 free kg
SiO2(aq) = 1e-6 mg/kg
react 10 mg of Quartz
printout basis = long
About 6 mg of Quartz dissolve into the fluid before it reaches saturation and starts to accumulate in the system. At the end of the reaction there are about 4 mg of the mineral Quartz. When the Quartz reaches saturation, it is swapped into the basis in place of SiO2(aq). You can see this on the Results pane and also in the text output file where the "Basis components" (current basis) and "Original basis" are listed. The "printout basis = long" command is used to show the composition in terms of the current basis (the default setting is to show only the original basis). You can also type "report basis original" and "report basis current" to see what components are used.
When you type "report mass Quartz", I think it's reporting the amount of the component Quartz, rather than the mineral. And since you haven't specified the full argument (fluid, system, sorbed, stagnant, or colloid) it's going with the first option: fluid.
So in my example, "report mass Quartz", "report mass current Quartz", "report mass current fluid Quartz", "report mass original SiO2(aq)", and "report mass original fluid SiO2(aq)" all give me the same answer for the amount of dissolved silica, about 6 mg. The commands "report mass current system Quartz" and "report mass original system SiO2(aq)" give the total amount of silica either dissolved or in a mineral phase, about 10 mg. To get just the amount of the mineral Quartz, about 4 mg, you should use "report mass minerals Quartz".
Regards,
Brian
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