lea512 Posted November 5, 2009 Share Posted November 5, 2009 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 Quote Link to comment Share on other sites More sharing options...
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