BASIC PUT/GET Between blocks of USER_PUNCH and USER_PRINT

[artshap]

Dear All,

I am starting to use PHREEQC, and I am confused a bit about how values are passed between different sections of code.

For example, I have this code where I am equilibrating two solutions separately with CO2(g) and Calcite and I want to print out (or user punch) the values of pH after the equilibrium has been established.

Below is the code that does that:

Code: [Select]

PRINT
-reset false
-user_print true

SOLUTION 1 SW
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 18300
Cl 32399
S(6) 4290
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 1
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1


USER_PRINT
-start
10 PUT(-LA("H+"), 1)
-end
END


SOLUTION 2 SW4SO
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 24467
Cl 17160
S(6) 2145
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 2
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1



USER_PRINT
-start
10 PUT(-LA("H+"), 2)
-end
END



SOLUTION 3

USER_PRINT
-start
05 PRINT "ph1" "ph2"
10 pH1 = GET(1)
20 pH2 = GET(2)
30 PRINT pH1, pH2
-end
END

However, this stops working if I change it to, for example:

Code: [Select]

PRINT
-reset false
-user_print true

SOLUTION 1 SW
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 18300
Cl 32399
S(6) 4290
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 1
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1


USER_PUNCH
-start
10 PUT(-LA("H+"), 1)
-end
END


SOLUTION 2 SW4SO
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 24467
Cl 17160
S(6) 2145
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 2
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1



USER_PUNCH
-start
10 PUT(-LA("H+"), 2)
-end
END



SOLUTION 3

USER_PRINT
-start
05 PRINT "ph1" "ph2"
10 pH1 = GET(1)
20 pH2 = GET(2)
30 PRINT pH1, pH2
-end
END

I was under the impression that this should be working all the same. Can somebody please explain to me the difference?

[Yongqiang]

Is it because that the USER_PUNCH keyword needs to be used with SELECTED OUTPUT?

[artshap]

Hmm... So if I do not have a SELECTED_OUTPUT connected to my USER_PUNCH, USER_PUNCH is skipped? Because if I run

Code: [Select]

PRINT
-reset false
-user_print true

SOLUTION 1 SW
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 18300
Cl 32399
S(6) 4290
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 1
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1


USER_PRINT
-start
10 PUT(-LA("H+"), 1)
-end
END


SOLUTION 2 SW4SO
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 24467
Cl 17160
S(6) 2145
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 2
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1

USER_PRINT
-start
10 PUT(-LA("H+"), 2)
-end
END


SOLUTION 3

USER_PUNCH
-headings ph1 ph2
-start
10 pH1 = GET(1)
20 pH2 = GET(2)
30 PUNCH pH1, pH2
-end

SELECTED_OUTPUT 1; -reset false; -file two_solutions.txt

there is no problem. But if I would replace those two middle USER_PRINT with USER_PUNCH it will return zero values.

[dlparkhurst]

SELECTED_OUTPUT n needs to be defined to allow USER_PUNCH n to be executed.

Sorry, it is just the way the program evolved. From the manual, "USER_PUNCH has no effect unless a SELECTED_OUTPUT data block has been defined."

[artshap]

Thank you for the confirmation! I was just reading the manual and I guess I have skipped that line.

[artshap]

Another thing I have noticed now, is that if I run this:

Code: [Select]

PRINT
-reset false
-user_print true

SOLUTION 1 SW
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 18300
Cl 32399
S(6) 4290
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 1
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1


USER_PUNCH
-start
10 PUT(-LA("H+"), 1)
-end
SELECTED_OUTPUT
END


SOLUTION 2 SW4SO
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 24467
Cl 17160
S(6) 2145
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 2
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1

USER_PUNCH
-start
10 PUT(-LA("H+"), 2)
-end
SELECTED_OUTPUT
END

SOLUTION 3
USER_PRINT
-start
05 PRINT "ph1" "ph2"
10 pH1 = GET(1)
20 pH2 = GET(2)
30 PRINT pH1, pH2
-end
END

The second pH value that is printed out is the one before the equilibrium.

If I replace the last USER_PRINT with USER_PUNCH, then both correct values are punched.

Code: [Select]

PRINT
-reset false
-user_print true

SOLUTION 1 SW
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 18300
Cl 32399
S(6) 4290
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 1
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1


USER_PUNCH
-start
10 PUT(-LA("H+"), 1)
-end
SELECTED_OUTPUT
END


SOLUTION 2 SW4SO
temperature 25
units mg/L
density 1.015
pH 7 charge
Ca 650
Mg 2110
Na 24467
Cl 17160
S(6) 2145
water 0.02 #kg=20mL brine
EQUILIBRIUM_PHASES 2
Calcite 0 1e-4 #mol=10mg powder
CO2(g) -3.44 1

USER_PUNCH
-start
10 PUT(-LA("H+"), 2)
-end
SELECTED_OUTPUT
END

SOLUTION 3

USER_PUNCH
-headings ph1 ph2
-start
10 pH1 = GET(1)
20 pH2 = GET(2)
30 PUNCH pH1, pH2
-end

SELECTED_OUTPUT 1; -reset false; -file two_solutions.txt
END