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preparing a new data set for sorbing surface

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I´m trying to create a new data set for sorbing surfaces that deals with the sorption of calcite on quartz minerals.


I´m not very familiar to the complaxation modelling.´, that´s why I´m not very sure if I prepare the correct data set.


Attached I send two different files, in the first one the basis species is CaCO3 and it runsin Spec8 and React correctly. But I cannot enlarge thespecific surface area of quartz above 0.1 m2/g.

The second file, where CaOH ist the basis species does not run in pec8 nor React at all.( error message: Dataset is incomplete! last line read is line 63: > log K= 13.9107 dlogK/dT= 0.0000



Please give me supoort by finding the correct way to modell the sorption of Calcite onto SiO2.


Thank you,



CaCO3 auf SiO2 _25°C_SA=0.09_ JRü_20150813.txt

CaOH auf SiO2 _25°C_SA=0.4_ JRü_20150813.txt

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