MagmaSat: Calculate Degassing Path#

Calculates the CO₂-H₂O concentrations in a melt during decompression and fluid exsolution.

This uses the VESIcal python library and is a preview of a forthcoming version of VESIcal compatible with the new version of thermoengine.

Open this code in an executable MyBinder instance (MyBinder links may be slow to load– please be patient!):

To install the preview version of VESIcal that works with the new pip installable version of thermoengine, run this command (uncomment first):

%pip install kaylai/VESIcal@thermoenginelite

import VESIcal as v

Specify the composition of the liquid. Here a basaltic composition is given as an example:

oxide_comp = {
        'SiO2':49.91,
        'TiO2': 1.47,
        'Al2O3': 17.91,
        'Fe2O3': 2.45,
        'FeO':  7.02,
        'MnO':  0.16,
        'MgO':  6.62,
        'CaO':  10.02,
        'Na2O':  3.02,
        'K2O':  0.64,
        'P2O5':  0.2,
        'H2O': 2.0,
        'CO2': 0.5
        }

Now convert this to a VESIcal Sample object (this allows the code to deal with unit conversions, normalisation, etc)

sample = v.Sample(oxide_comp)

## Open System Degassing Calculation

During open system degassing the exsolved vapour is lost from the system at each decompression step.

open_df = v.calculate_degassing_path(sample=sample, temperature=1000.0, fractionate_vapor=1.0).result

Finding saturation point... /home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()


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## Closed System Degassing Calculation

During closed system degassing the exsolved vapour remains with the melt, but its quantity and composition evolve throughout the calculation.

closed_df = v.calculate_degassing_path(sample=sample, temperature=1000.0).result

Finding saturation point... /home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()


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## Partially Closed System Degassing Calculation

During this calculation, only some of the exsolved fluid is lost at each step.

half_df = v.calculate_degassing_path(sample=sample, temperature=1000.0, fractionate_vapor=0.5).result

Finding saturation point... /home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()
/home/vscode/.local/lib/python3.10/site-packages/VESIcal/models/magmasat.py:208: RuntimeWarning: invalid value encountered in divide
  fluid_comp = fluid_comp/fluid_comp.sum()


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## Make a plot!

VESIcal provides a built-in method for visualising these results quickly:

v.plot(degassing_paths=[open_df, half_df, closed_df],
       degassing_path_labels=["Open", "Half", "Closed"])

(<Figure size 1200x800 with 1 Axes>, <Axes: xlabel='H$_2$O wt%', ylabel='CO$_2$ wt%'>)

but you can also make a custom plot by interacting with the open_df, half_df, and closed_df dataframes directly. You can also save each one to a csv file for later use, of for plotting in another program (e.g. Excel):

open_df.to_csv('my_degassing_path.csv')

Total running time of the script: (0 minutes 18.329 seconds)

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MagmaSat: Calculate Degassing Path#

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