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Author Topic: How to use the saved aqueous solution+solids of the previous reaction to the nex  (Read 227 times)

Titanium

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  • Posts: 2
How to use the saved aqueous solution+solids of the previous reaction to the nex
« on: December 01, 2021, 03:16:19 AM »
Hi everyone:
I'm simulating the reaction of MgO with high concentration NH4H2PO4 solution. I want to calculate the carbonation products of the previous reaction after it reaching equilibrium. There is something wrong with my simulation, and I do not know why. I need your kind help.
SOLUTION 1
end
USE solution 1
REACTION
NH4H2PO4 1
5 moles
SAVE solution 1
END
INCREMENTAL_REACTIONS
USE solution 1
REACTION 1
MgO 1
10 mol in 10
EQUILIBRIUM_PHASES 1
MgO    0 0
MgHPO4·3H2O  0 0
MgNH4PO4·6H2O   0 0
(NH4)2Mg(HPO4)2·4H2O   0 0
END
USE solution 1
USE equilibrium_phase 1
USE reaction 1
SAVE SOLUTION 1
SAVE EQUILIBRIUM_PHASES 1
END

REACTION 2
    CO2(g)     1
    H2O(l)     2
    35 moles in 1000 steps
USE SOLUTION 1
USE EQUILIBRIUM_PHASE 1
USE REACTION 2
EQUILIBRIUM_PHASES 2
    Brucite   0 0
    MgO       0 0
    MgCO3:3H2O(Nesquehonite) 0 0
    MgHPO4·3H2O  0 0
    MgNH4PO4·6H2O   0 0
    (NH4)2Mg(HPO4)2·4H2O   0 0
SELECTED_OUTPUT 2
    -file                 MAPC.sel
    -equilibrium_phases   Brucite  MgO     MgCO3:3H2O(Nesquehonite) 0 0  MgHPO4·3H2O  MgNH4PO4·6H2O (NH4)2Mg(HPO4)2·4H2O

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