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Showing results for tags 'CO2'.
Found 2 results
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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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Hi, I am interested in using GWB to model CO2-NH3-H2O vapor-liquid equilibria using Pitzer coefficients. Using thermo_phrqpitz.dat, this doesn't seem to be possible. Is their another data set that would allow me to do this? If not, would it be possible to edit one of the data sets in such a way to make this possible. It's worth noting that I'd like to include the carbamate ion species (e.g. H2NCOO-). There was a recent publication in the International Journal of Greenhouse Gas Control published recently (Author: Yin Xu, Title: Modeling of the NH3-CO2-H2O vapor-liquid equilibria behavior with species-group Pitzer activity coefficient model), that I though might be useful in this task. If the vapor-side modeling is not feasible, there would still be value in just modeling the closed aqueous system. If anyone has any suggestions, please let me know. Thanks!
