O2 (aq) concentration problems in ToughReact

[AMCHE]

Hi all!

This might be a triviel question, but as I have now used a lot of time on it without getting any further - I hope you can help me.

I am trying to simulate CO2-sequestration with toughreact and ECO2. I have build a very simple 1D model in two parts: sandstone and shale and given each region their respective chemical parameters which are real analyses and not proxies. Off course - all though the real rocks are in equilibrium - I do not expect them to be in the program and want to equilibrate the fluid used before adding gas. However, no matter what I do, I get conflicts with my O2(aq) and/or Fe concentrations, and the program runs reaaaaallllly, reallllly sloooooooooow plus doing funny things with the defined pressure. It seems very much like a numerical thing; and I have gone through the set-up over and over again, but am not any wiser.... Can anyone help me on from here, please - and thanks

Best,

Mette

[swenson]

Hi all!

This might be a triviel question, but as I have now used a lot of time on it without getting any further - I hope you can help me.

I am trying to simulate CO2-sequestration with toughreact and ECO2. I have build a very simple 1D model in two parts: sandstone and shale and given each region their respective chemical parameters which are real analyses and not proxies. Off course - all though the real rocks are in equilibrium - I do not expect them to be in the program and want to equilibrate the fluid used before adding gas. However, no matter what I do, I get conflicts with my O2(aq) and/or Fe concentrations, and the program runs reaaaaallllly, reallllly sloooooooooow plus doing funny things with the defined pressure. It seems very much like a numerical thing; and I have gone through the set-up over and over again, but am not any wiser.... Can anyone help me on from here, please - and thanks

Best,

Mette

Mette,

Because you mention that the pressure is doing funny things, it would be worthwhile to make sure the flow solution is valid without any reactions. On the Global Properties dialog of PetraSim, unselect Enable Reactive Transport. Now run the problem and make sure the pressure solution is ok.

Warnings and error messages from the reaction solution are output in the runlog.out file. Looking there might provide additional guidance.

Best wishes,

Daniel Swenson