How to perform simulations of water-rock interactions to obtain near-equilibrium water chemistry.
Hello everyone,
I am currently studying TOUGHREACT and using Petrasim for preprocessing and postprocessing, with the aim of researching CO2 geological storage issues. I started my learning with Problem 5 (1 D radial model) from the TOUGHREACT User’s Guide (Version 2.0). On page 114 under “User’s Guide > Problem 5 > Geochemical system,” the initial water chemistry is described as follows: “Prior to CO2 injection, a simulation of water-rock interaction was performed to obtain a nearly equilibrated water chemistry using a pure 1.0 M solution of sodium chloride reacting with the primary minerals listed in Table 8.5-2 at a temperature of 75 °C. The resulting water chemistry was used for the initial condition of reactive geochemical transport simulations under CO2 injection.”
I would like to know the exact procedure, as I currently face the problem of having known initial minerals but unknown initial water chemistry. If I could learn the specific operations, my issue would be resolved. I would greatly appreciate it if any experts could share their experiences or provide some reference materials.
Thank you,
Dian