The different results between toughreact and petrasim2018

[Merson]

Recently, I try to use Petrasim to model interaction between meteoric water and carbonate rock. I got original .inp files from the author, she used toughreact to acquire results. I set the same parameters as inp files from toughR, but i got very different results (such as porosity and calcite concentrate). Then I borrowed other's Petrasim 2018 and run my sim file, I got same results as my version. So could you can help me find out the reasons that leading to very different results, even though they have same parameters?

Petrasim provides so convenient interaction and visualization windows. I do not want to give up this software.

 

Model set (EOS1):

Material: 0.8 calcite + 0.2 dolomite ;  

Run time:2 Ma; 

Boundary water: Meteoric water; 

Original water: Formation water; 

Injection rate: 9.5129E-4 kg/s at begin, 0 kg/s at 2Ma

Results: At the simulation ending, porosity does not increase  and calcite does not decrease in Patrasim; the results in toughreact are opposite.

model.rar

[Alison]

PetraSim version 2018 includes executables for TOUGHREACT v1.2 that have been optimized to work with PetraSim.  If your colleague is using a more recent version of TOUGHREACT, then this could explain the differences in results.

 

I took a quick look at your model and the TOUGHREACT input files for the other simulation and noticed that your colleagues model contains 100 elements, while your model contains only 5.  Its also possible that the difference in discretization could be causing these differences.

 

Some other differences that I noticed:

 

- RCOUR is set to 0.9 in your colleague's model (TOUGHREACT | Solution Parameters | Time and Convergence Tab), this will lead to smaller time steps, so you would need to increase the maximum number of times steps for your model or allows for an unlimited number of time steps.

- KCPL is set to 2 in your colleague's model (TOUGHREACT | Solution Parameters | Advanced Tab)

- Your colleague's model seems to be isothermal (Properties | Global Properties | EOS Tab)

 

I would suggest that you experiment with these items more and contact tech@rockware.com if you need additional help.

[Merson]

Hi, Alison

Thanks for your replying and suggestions!

I modified the RCUR and KCPL parameters and basically achieved the porosity and calcite concentration change. But, the dolomite deposition (change of abundance in volume fraction is about 0.02)  still disappear at the bottom horizon. 

So I have some questions for you:

(1) how to achieve the dolomite deposition?

(2) I noticed the K25 (4.58E-19) EA(133.5) and  CK1(2.2) in tough file are different with 2.95121E-08 , 52.2 and 1.0 in reference book. How could I set these parameters?

(3) I set the injection rate will be decreased as time, how could I observe this change in Petrasim?

 

Hope for your replying.

Best regarding

1.sim