How to generate all the speciation automaticaly

[IliasBouchkira]

Hi everyone

Is there any way to use USER_PUNCH or SELECTED_OUTPUT to generate the speciation of all the elements once? I am using currently USER_PUNCH and I need to put PUNCH ACT("Na+"), PUNCH ACT("Cl-")... for every element and it requires changing headings as well. and once I change the solution I need to do it again and this takes a lot of time...

Many thanks in advance

Ilias.

[dlparkhurst]

SELECTED_OUTPUT has identifiers -molalities and -activities, but you do need to list the aqueous species that you want. You can include a comprehensive list; if elements of the aqueous species are not present, a molality of 0 will be printed and a log activity of -1000.

You can also use the Basic function SYS to print all active species, although you cannot add headings. I would write species name followed by molality or activity or both in the following columns.

Code: [Select]

SOLUTION
Na 1
Cl 1
SELECTED_OUTPUT 1
-reset false
USER_PUNCH 1
10 t = SYS("aq", count , name$ , type$ , moles)
20 FOR i = 1 TO count
30   PUNCH PAD$(name$(i), 15), ACT(name$(i)), MOL(name$(i))
40 NEXT i