Calc.  SED & PREDOM / Input data-file format / Names and Numbers / Deactivate species

Fraction diagram showing the species distribution for soluble hydroxyde complexes of Al as a function of pH:

Fract_Diagr_Al

This diagram was obtained with the following input file:

2 9 2 1
H+, *AlOOH(cr)
Al(OH)2+,  -1.516  1 1  Al(OH)3,        -8.316  0  1
Al(OH)4-, -14.116 -1 1  Al13O4(OH)24+7, 12.862  7 13
Al2(OH)2+4, 9.468  4 2  Al3(OH)4+5,     11.812  5  3
AlOH+2,     3.584  2 1  OH-,           -14.0   -1  0
Al+3,       8.584  3 1
Al(OH)3(am),-1.796  0 1 Al(OH)3(cr),  0.474  0 1
*AlOOH(cr),  H+,
LAV, -3 -11  LA, 0

If the total concentration for *AlOOH(cr) is given (instead of its activity = 1) then because *AlOOH(cr) can not precipitate, Al(OH)3(cr) is formed, as shown in the following diagram:

Fract_Diagr_Al

This diagram was obtained with the following input file:

2 9 2 1
H+, *AlOOH(cr)
Al(OH)2+,  -1.516  1 1  Al(OH)3,        -8.316  0  1
Al(OH)4-, -14.116 -1 1  Al13O4(OH)24+7, 12.862  7 13
Al2(OH)2+4, 9.468  4 2  Al3(OH)4+5,     11.812  5  3
AlOH+2,     3.584  2 1  OH-,           -14.0   -1  0
Al+3,       8.584  3 1
Al(OH)3(am),-1.796  0 1 Al(OH)3(cr),  0.474  0 1
*AlOOH(cr),  H+,
LAV, -3  -11  T, 1E-6