This code performs gas-melt equilibrium calculations for a given temperature and melt composition. We are currently working on documentation of the code which is available here.
Since this code uses the MELTS code as provided by the Thermoengine package, this needs to be installed before LavAtmos may be used.
We suggest to follow the instructions on the Thermoengine GitLab page on how to run a container image locally.
Once you have installed Thermoengine, clone this repository into the Thermoengine directory.
Ensure that you are working within the LavAtmos directory. Import LavAtmos:
import lavatmos
You should then define a composition. An often used example is bulk silicate earth (BSE):
comp_BSE = {'SiO2': 45.4, 'MgO': 36.76, 'Al2O3': 4.48, 'TiO2': 0.21, 'FeO': 8.1, 'CaO': 3.65, 'Na2O': 0.349, 'K2O': 0.031}
Initialise a LavAtmos object:
system = lavatmos.melt_vapor_system()
Define the temperatures for which you want to perform the calculations:
T = np.arange(1500,4050,50)
And perform the gas-melt equilibrium calculations using the vaporise function:
results = system.vaporise(T, comp_BSE)
Checkout the example notebooks in the notebook directory for more comprehensive examples on how to use LavAtmos.
If you are experiencing any issues when installing or using LavAtmos, please don't hesitate to open a new issue on Github. If you do, please leave as many details about your issue/error as you can.
License: GPL-3.0
If you use LavAtmos results, please cite:
Since LavAtmos makes use of MELTS, MELTS should also be cited as specified on the MELTS webpage.