Determination of partial pressure of CO2 for CO2-water rock interactions in core flooding experiments

[Phil]

Can this software be used to determine the partial pressure of CO2 before CO2-water rock interactions in core-flooding experiment?

[Jia Wang]

Hello Phil,

If you provide a calculation with the proper constraints, the software will be able to calculate the partial pressure of the gases in equilibrium with your system initially and during the reaction path at every step. For example, the reaction for CO2(g) is CO2(g) + H2O = H+ + HCO3- in thermo.tdat. If you would like the program to calculate gas fugacity or partial pressure, then you will need to provide a constraint for H+ and HCO3-. H2O is the solvent and required in all runs. This applies to simulations run in SpecE8, React, Phase2, X1t, and X2t.

If you wish to set your initial system in equilibrium to a gas partial pressure or fugacity, you will need to swap the partial pressure into the initial constraint for your calculation. For more information on partial pressure models, please refer to section 7.5 of the GWB Essentials User's Guide.

Hope this helps,
Jia Wang