Recently, I have been trying to input both high Fe,Mg-rich smectite and low Fe,Mg-rich smectite into my equilibrium model. When I input the values (in grams) that I want, I get this message at the bottom of the "Run" tab
Cutting step size to find phase assemblage
Swapping K+ in for Clinoptil-K
Swapping Hematite in for Nontronit-Mg
Swapping Mg++ in for Clinoptil-Ca
Swapping SiO2(aq) in for Kaolinite
Swapping Fe++ in for Pyrite
Residuals too large, 661-th interation
-- Didn't wake up, abandoning path
However, when I change the low-fe-mg-smectite to a smaller value, it seems to work correctly. I would really like to use my value, but if I am doing something incorrectly, please let me know. I have provided my input data below to help in my explanation.
Input Data:
Water Chemistry
H2O = 1 kg
Ca2+ = 63.8
Na+ = 6.5
Mg2+ = 46.9
SO4-- = 100
Cl- = 5
HCO3- = 293 charge balance
H+ = 7.5
Fe2+ = 0.11
Mn2+ = 0.05
K+ = 1.8
O2(aq) = 0.01
SiO2(aq) = 0.01
Al3+ = 0.01
Mineral Data
Quartz = 1899.96 g in rxn
K-Feldspar = 112.4 g in rxn
Albite = 18.74 g in rxn
Kaolinite = 89.91 g in rxn
Illite = 1101.84 g in rxn
Hematite = 67.44 g in rxn
Goethite = 67.44 g in rxn
Low Fe,Mg-rich Smectite = 200 g in rxn (I WANT THIS TO = 1035.61g INSTEAD!!)
Fe,Mg-rich Smectite = 498.72 g in rxn
Other Data
Temperature = 30C
Time = 0-20 years
Sliding CO2 (g) Fugacity to 53.3 bar
NS4C-1836-1_equil.rea