# Is it possible to use Perple\_X to compute H20 and CO2 EOS?

**URL:** <https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626>\
**Category:** ASPECT\
**Created:** [September 2, 2024, 5:26pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626 "2024-09-02T17:26:45Z")\
**Posts on this page:** 7\
**Page:** 1

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**Author:** ![Francyrad](https://avatars.discourse-cdn.com/v4/letter/f/e47774/32.png) [@Francyrad](https://community.geodynamics.org/u/Francyrad)\
**Post date:** [September 2, 2024, 5:26pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626/1 "2024-09-02T17:26:45Z")

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Dear Developers,

ASPECT should be able to handle any material within the Steinberger model. I was wondering if it is possible to compute a tabulated EOS fully composed of H2O and CO2, in order to simulate a free-fluid system within magma.

Additionally, I would like to ask whether ASPECT is the appropriate simulator to model the injection of CO2 or H2O into the subsurface, and the subsequent cracking and hydrofracturing that might occur as the fluid advances upward within the simulation box.

Francesco

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**Author:** ![bobmyhill](https://yyz2.discourse-cdn.com/flex036/user_avatar/community.geodynamics.org/bobmyhill/32/38_2.png) [@bobmyhill](https://community.geodynamics.org/u/bobmyhill)\
**Post date:** [September 2, 2024, 5:58pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626/2 "2024-09-02T17:58:29Z")

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Dear Francesco,

> I was wondering if it is possible to compute a tabulated EOS fully composed of H2O and CO2

You can certainly create an table with density, heat capacity etc., yes. This is not a PerpleX messaging board though, so if you want to do this (see below) I’d recommend you ask for help on the PerpleX boards.

> in order to simulate a free-fluid system within magma.

You need to check for yourself which governing equations are needed for your intended simulations, and the values of the parameters required. Then check ASPECT’s manual to see whether it solves those equations.

> I would like to ask whether ASPECT is the appropriate simulator to model the injection of CO2 or H2O into the subsurface, and the subsequent cracking and hydrofracturing that might occur as the fluid advances upward within the simulation box.

Again, check for yourself which governing equations are needed for such simulations, and whether ASPECT solves those equations.

Best wishes,  
Bob

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**Author:** ![jbnaliboff](https://avatars.discourse-cdn.com/v4/letter/j/58956e/32.png) [@jbnaliboff](https://community.geodynamics.org/u/jbnaliboff)\
**Post date:** [September 3, 2024, 4:21pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626/3 "2024-09-03T16:21:45Z")

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Hi Francesco,

As a follow-up to @bobmyhill message above, I will note that that hydrofracturing (fluid pressure coupled to failure) is currently only an experimental feature in ASPECT and not implemented within the main material models.

There is a general framework in place to combine different material models with reactive fluid transport, but I think what you have in mind would require a few years of very technical code development and testing.

Cheers,  
John

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**Author:** ![Francyrad](https://avatars.discourse-cdn.com/v4/letter/f/e47774/32.png) [@Francyrad](https://community.geodynamics.org/u/Francyrad)\
**Post date:** [September 3, 2024, 4:42pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626/4 "2024-09-03T16:42:57Z")

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Surely for my project may require years, but an early version is also appreciated! Where can I find the extension?

Francesco

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**Author:** ![jbnaliboff](https://avatars.discourse-cdn.com/v4/letter/j/58956e/32.png) [@jbnaliboff](https://community.geodynamics.org/u/jbnaliboff)\
**Post date:** [September 5, 2024, 7:58pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626/5 "2024-09-05T19:58:45Z")

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@Francyrad:

The very preliminary hydrofracturing implementation and tests (physics is correct, not tested for time-dependent behavior) are as follows:  
[melt\_visco\_plastic.cc](https://github.com/geodynamics/aspect/blob/main/tests/melt_visco_plastic.cc)  
[melt\_visco\_plastic\_mohr\_circle\_compaction.cc](https://github.com/geodynamics/aspect/blob/main/tests/melt_visco_plastic_mohr_circle_compaction.cc)  
[melt\_visco\_plastic\_mohr\_circle\_shear.cc](https://github.com/geodynamics/aspect/blob/main/tests/melt_visco_plastic_mohr_circle_shear.cc)  
[melt\_visco\_plastic\_mohr\_circle\_compaction.prm](https://github.com/geodynamics/aspect/blob/main/tests/melt_visco_plastic_mohr_circle_compaction.prm)  
[melt\_visco\_plastic\_mohr\_circle\_shear.prm](https://github.com/geodynamics/aspect/blob/main/tests/melt_visco_plastic_mohr_circle_shear.prm)

For the reaction part of the problem, I would start by looking at cookbooks and tests that use the [reactive fluid transport material model](https://aspect-documentation.readthedocs.io/en/latest/parameters/Material_20model.html#subsection-material-model-reactive-fluid-transport-model).

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<div class="post-metadata">

**Author:** ![Francyrad](https://avatars.discourse-cdn.com/v4/letter/f/e47774/32.png) [@Francyrad](https://community.geodynamics.org/u/Francyrad)\
**Post date:** [October 21, 2024, 6:05pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626/6 "2024-10-21T18:05:30Z")

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Hi, i compiled the files according to my terminal, but no “.so” library is been created in reality, so i’ve no idea how to run these files with a time dependent behaviour like I usually do. I wanted to see what was really happening in the simulation with a vdb file:

```auto
francesco-radica@francyrad-workstation:~/Documenti/aspect/visco_plastic_tests$ cmake . -D Aspect_DIR="/home/francesco-radica/Documenti/aspect/build"
-- The CXX compiler identification is GNU 11.4.0
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/mpicxx - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found Perl: /usr/bin/perl (found version "5.36.0")
-- Setting up tests with CMAKE_BUILD_TYPE Debug
     Found 0 tests.
-- Configuring done (0.2s)
-- Generating done (0.0s)
-- Build files have been written to: /home/francesco-radica/Documenti/aspect/visco_plastic_tests
francesco-radica@francyrad-workstation:~/Documenti/aspect/visco_plastic_tests$ cmake . && make
-- Setting up tests with CMAKE_BUILD_TYPE Debug
     Found 0 tests.
-- Configuring done (0.0s)
-- Generating done (0.0s)
-- Build files have been written to: /home/francesco-radica/Documenti/aspect/visco_plastic_tests

```

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<div class="post-metadata">

**Author:** ![bangerth](https://yyz2.discourse-cdn.com/flex036/user_avatar/community.geodynamics.org/bangerth/32/52_2.png) [@bangerth](https://community.geodynamics.org/u/bangerth)\
**Post date:** [October 21, 2024, 11:20pm UTC](https://community.geodynamics.org/t/is-it-possible-to-use-perple-x-to-compute-h20-and-co2-eos/3626/7 "2024-10-21T23:20:57Z")

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@Francyrad The call to `cmake` only sets up the project. You still have to call `make` after it to actually compile things. _After_ that you should have the .so file.  
Best  
W.
