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How can I use REACT to flush CO2 in a model to demonstrate the CO2-water-rock interaction ?


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Hello,

I am trying to use react to model the reaction of CO2 with water and rock. 

I was able to demonstrate the affect of CO2 partial pressure with pH by sliding the CO2 fugacity .

however I am more interested into the reaction model of co2-water-rock. 

Could you please help me or direct  me , my knowledge in the software is very limited. 

 

Best wishes,

Nourah

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Hello Nourah,

With React, you are able to set up and run multicomponent reaction modeling. Since I am not sure the exact type of problem you are looking to solve, I would give a few simple suggestions on where to start with React.

In React, you would need to constrain the initial composition of your system in the Basis pane. Here you would set the concentration of components based on any lab analysis, swap in any minerals that may be in equilibrium with the fluid, or setting a gas buffer. Then you would need to decide which type of reaction path is appropriate for your specific problem. The sliding fugacity model you described in the original post is one type of many reaction paths possible. 

Other reaction paths include: titration paths, in which reactants are added or removed gradually; polythermal paths, in which temperature varies; kinetic paths, in which rates of reactions are controlled by a kinetic rate law. Additionally, React also have special configuration paths that are useful for specific scenarios, such as the flow-through model that prevents precipitated minerals from redissolving, and the flush model that is allows users to displace the existing fluid from the initial system with the reactant fluid. 

For detailed examples on using React, please refer to chapter 3 of the GWB Reaction Modeling Guide. There are also a variety of fully worked examples available on the GWB Academy. If you have a specific problem that you would like to troubleshoot, please post a description of what you're aiming to do along with the relevant input files and thermodynamic datasets. 

Hope this helps,
Jia Wang
Aqueous Solutions LLC

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