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Plotting more than one mineral solubility curve on a PHREEQC graph
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Topic: Plotting more than one mineral solubility curve on a PHREEQC graph (Read 2882 times)
J.Hopwood
Contributor
Posts: 4
Plotting more than one mineral solubility curve on a PHREEQC graph
«
on:
01/09/17 12:49 »
I am interested in showing more than one solubility curve on a graph. The following input file is for gypsum. I am wondering how I would adapt the file so that a curve for anhydrite also appears? Help with this would be much appreciated.
PHASES
Fix_H+
H+ = H+
log_k 0
END
# pH-dependent Ca concentration in equilibrium with gypsum and pH-dependent Ca concentration in equilibrium with anhydrite
#
SOLUTION 1
temp 25
pH 3
pe 4
redox pe
units mmol/kgw
density 1
Cl 1 charge
-water 1 # kg
SELECTED_OUTPUT; -reset false; -file barite.prn
USER_PUNCH
20 sc$ = chr$(59)
30 for i = 3.5 to 12 step 0.5
40 punch "USE solution 1",EOL$
50 PUNCH "EQUILIBRIUM_PHASES",EOL$,"Gypsum",EOL$,"Fix_H+ ",-i," NaOH 10",EOL$
60 punch "END" + eol$
70 next i
-end
END
USER_GRAPH 1
-axis_titles "pH" "( Ca_tot / uM )" "(S_tot / uM)"
-chart_title "Gypsum Equilibrium"
-headings x Ca SO4
-connect_simulations
-initial_solutions true
-start
10 graph_x -la("H+")
20 graph_y (tot"Ca")*1e6
30 graph_sy (tot"S(6)")*1e6 #conc of sulphate on secondary y axis
-end
-active true
END
PRINT; -reset false; -selected_out false
INCLUDE$ gypsum.prn
END
Logged
dlparkhurst
Global Moderator
Posts: 4062
Re: Plotting more than one mineral solubility curve on a PHREEQC graph
«
Reply #1 on:
01/09/17 18:22 »
PHASES
Fix_H+
H+ = H+
log_k 0
END
# pH-dependent Ca concentration in equilibrium with gypsum and pH-dependent Ca concentration in equilibrium with anhydrite
#
SOLUTION 1
temp 25
pH 3
pe 4
redox pe
units mmol/kgw
density 1
Cl 1 charge
Ca 1
-water 1 # kg
SELECTED_OUTPUT 1; -reset false; -file gypsum.prn
USER_PUNCH 1
20 sc$ = chr$(59)
30 for i = 3.5 to 12 step 0.5
40 punch "USE solution 1",EOL$
50 PUNCH "EQUILIBRIUM_PHASES",EOL$,"Gypsum",EOL$,"Fix_H+ ",-i," NaOH 10",EOL$
60 punch "END" + eol$
70 next i
-end
SELECTED_OUTPUT 2; -file anhydrite.prn
USER_PUNCH 2
20 sc$ = chr$(59)
30 for i = 3.5 to 12 step 0.5
40 punch "USE solution 1",EOL$
50 PUNCH "EQUILIBRIUM_PHASES",EOL$,"Anhydrite",EOL$,"Fix_H+ ",-i," NaOH 10",EOL$
60 punch "END" + eol$
70 next i
-end
END
USER_GRAPH 1
-axis_titles "pH" "( Ca_tot / uM )" "(S_tot / uM)"
-chart_title "Gypsum & Anhydrite Equilibrium"
-headings x Ca_gyp SO4_gyp
-connect_simulations
-initial_solutions true
-start
10 graph_x -la("H+")
20 graph_y (tot"Ca")*1e6
30 graph_sy (tot"S(6)")*1e6 #conc of sulphate on secondary y axis
-end
-active true
END
PRINT; -reset false; -selected_out false
INCLUDE$ gypsum.prn
END
USER_GRAPH 1
-headings x Ca_anh SO4_anh
INCLUDE$ anhydrite.prn
END
Logged
J.Hopwood
Contributor
Posts: 4
Re: Plotting more than one mineral solubility curve on a PHREEQC graph
«
Reply #2 on:
01/09/17 19:49 »
Many thanks David, I appreciate that.
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Plotting more than one mineral solubility curve on a PHREEQC graph