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Author Topic: Multiple minerals dissolved, K, Na, Mg results are different from reality.  (Read 3669 times)

duanjiabin

  • Frequent Contributor
  • Posts: 12
Multiple minerals dissolved, K, Na, Mg results are different from reality.
« on: 11/04/24 06:44 »
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: 4212
Re: Multiple minerals dissolved, K, Na, Mg results are different from reality.
« Reply #1 on: 11/04/24 13:26 »
Start by using EQUILIBRIUM_PHASES or KINETICS for each phase, but don't put a phase in both blocks.
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