DATABASE C:\users\Juliana Marin\Desktop\LLNL.DATSOLUTION 1temp 90WATER 0.00924 #0.00924 Kg of water units mol/kgwS(6) 2.1645 #mol/kg of waterH 4.3290 #mol/kg of waterendUse solution 1EQUILIBRIUM_PHASES Pyrolusite 0 0.011 #MnO2END END
SOLUTION 1 temp 90 pH 0 charge units mol/kgw S(6) 2.1645 -water 0.00924 # kgENDUSE solution 1EQUILIBRIUM_PHASES 1 Pyrolusite 0 0.011END
SPECIATION DATABASE "phreeqc.dat" jobTitle "Speciation vs pH using 'species' plot type" calculationType species calculationMethod 1 mainSpecies Mn xmin -14 # logH range xmax 0 resolution 100PLOT plotTitle "Mn speciation<br>(using speciesvsph.inc)" customXcolumn 2 # x-axis value is the second column - the first column is 'pH' (see out file) pxmax 14 # default is 14 pxmin 0# minimumYValueForPlotting 5.0 # eliminates minor species legendTitle "Mn species" extraText "extratextMnspeciation.dat"CHEMISTRYinclude 'speciesvsph.inc' PHASESFix_H+ H+ = H+ log_k 0.0Na2SO4Na2SO4 = 2Na+ + SO4-2logk 0SOLUTION 1 temp 90 pH 0 charge units mol/kgw S(6) 2.1645 -water 0.00924 # kgENDUSE solution 1EQUILIBRIUM_PHASES O2(g) -0.677 0.1 Fix_H+ <x_axis> H2SO4 10 -force_equality true Na2SO4 -15 10 Pyrolusite 0 0.011 #MnO2END
Line 0: EQUILIBRIUM_PHASES 1 Define amounts of phases in assemblage.Line 1a: Chalcedony 0.0 0.0Line 1b: CO2(g) -3.5 1.0Line 1c: Gibbsite(c) 0.0 KAlSi3O8 1.0 dissolve_onlyLine 1d: Calcite 0.0 Gypsum 1.0 precipitate_onlyLine 1e: pH_Fix -5.0 HCl 10.0Line 2: -force_equality