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Multiple minerals dissolved, K, Na, Mg results are different from reality.
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Topic: Multiple minerals dissolved, K, Na, Mg results are different from reality. (Read 831 times)
duanjiabin
Frequent Contributor
Posts: 12
Multiple minerals dissolved, K, Na, Mg results are different from reality.
«
on:
April 11, 2024, 06:44:52 AM »
Multiple minerals are dissolved at the same time, the rate setup uses a library of reference scripts, and the input mineral amounts should be correct according to the calculations, but the outputs for Potassium, Sodium, and Magnesium are quite different from the actual results. Please help me to correct the error. Thanks for your help.
SOLUTION 1
temp 25
pH 6.5
pe 4
redox pe
units mg/l
density 1
Cl 4
Cs 0
Li 0
Rb 0
S(6) 2
-water 3 # kg
PHASES
Li2O
Li2O + H2O = 2Li+ + 2OH-
log_k -5.31
delta_h -484.3 kJ
Rb2O
Rb2O + H2O = 2OH- + 2Rb+
log_k -18.745
delta_h -772 kJ
Cs2O
Cs2O + 2H+ = 2Cs+ + H2O
log_k 89.68
delta_h -511.91 kJ
Al(OH)3
Al+3 + 3H2O = Al(OH)3 + 3H+
log_k -16.42
delta_h 93.741 kJ
EQUILIBRIUM_PHASES 1
Albite 0 0
Annite 0 0
Anorthite 0 0
K-Feldspar 0 0
Laumontite 0 0
Paragonite 0 0
Phlogopite 0 0
Prehnite 0 0
Quartz 0 0
kaolinite 0 0
Cordierite_anhyd 0 0
KINETICS 1
Albite
-formula NaAlSi3O8 1
-m 1
-m0 1
-parms 0.2 1
-tol 1e-08
Annite
-formula KFe3AlSi3O10(OH)2 1
-m 0.067143621
-m0 0.067143621
-parms 0.2 1
-tol 1e-08
Quartz
-formula SiO2 1
-m 5.4257373
-m0 5.4257373
-parms 0.2 1
-tol 1e-08
Anorthite
-formula CaAl2(SiO4)2 1
-m 0.266971681
-m0 0.266971681
-parms 0.2 1
-tol 1e-08
Phlogopite
-formula KAlMg3Si3O10(OH)2 1
-m 0.187418706
-m0 0.187418706
-parms 0.2 1
-tol 1e-08
K-feldspar
-formula K-feldspar 1
-m 0.8
-m0 0.8
-parms 0.2 1
-tol 1e-08
-steps 3000000 in 500 steps # seconds
-step_divide 1
-runge_kutta 3
-bad_step_max 500
INCREMENTAL_REACTIONS True
SOLUTION_SPECIES
Al+3 + 3H2O = Al(OH)3 + 3H+
log_k -16.42
delta_h 93.741 kJ
H2O + Rb+ = RbOH + H+
log_k -14.26
delta_h 81.411 kJ
Cs+ + H2O - H+ = Cs(OH)
log_k -15.64
delta_h 89.295 kJ
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dlparkhurst
Global Moderator
Posts: 3802
Re: Multiple minerals dissolved, K, Na, Mg results are different from reality.
«
Reply #1 on:
April 11, 2024, 01:26:08 PM »
Start by using EQUILIBRIUM_PHASES or KINETICS for each phase, but don't put a phase in both blocks.
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Multiple minerals dissolved, K, Na, Mg results are different from reality.