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Kinetics of CO2 equillibrium in water


RobinR
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Hi,

I am trying to model calcite dissolution in DI water open to the atmosphere. My model is nearly correct except that the initial pH is only reaching about 9.6 when I need it to be reaching about 10 initially. I believe that the problem may stem from my basis fugacity of CO2 in the system. Currently it is set to log fugacity of -3.5 but since the water I use for the experiment comes from a jug, is it possible that the initial fugacity of water is lower? Or, is it possible that the fugacity of CO2 in the kinetic reaction should be set to a different value other than log fugacity of -3.5? I have tried playing with these values but was unable to achieve a higher initial pH. I have attached my expiremental results as well as my model. Let me know if you have any suggestions of how to raise the initial pH of the solution. 

Thank you,

Robin

 

Calcite only.rea

Calcite Expiremental.xlsx

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