Kisosub

Kinetic isotope fractionation during sublimation of pure hexagonal water ice (ice Ih) and planar specific surface area under high to ultra-high vacuum and low to cryogenic temperatures (lunar environment)

Kisosub is a Python package for computing HDO, $H_2^{18}O$ and $H_2^{17}O$ kinetic isotope fractionation (semi-heavy water isotopologues - ¹H²H¹⁶O, ¹H¹H¹⁸O, ¹H¹H¹⁷O) during sublimation of pure hexagonal water ice (ice Ih), under high to ultra-high vacuum over the temperature range relevant to different planetary bodies harsh environments (~90–273 K).

Note: This package is under development, at the moment you can only find the notebooks to see some calculations. We are developing the package for making some calculations reusable in an easier way.

Get started

Create the developement environment

With uv (recommended)

To create the development environment you can use the tool uv

To download the dependencies:

uv sync --all-groups

Then you can run jupyter lab to run notebooks:

uv run jupyter lab

With conda, pip or other tools

You can find the list of the dependencies and specific version in the pyproject.toml file

Funding declaration

This work was funded by LuxIMPULSE, Luxembourg national program managed by the Luxembourg Space Agency and implemented by the European Space Agency, ISOMOON grant (ZYAJH; ESA RFP/3-15942/19/NL/MH/mg), and by FNR CORE program, LUNAQUA grant (C21/SR/16167289)

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