Thermodynamic Sandbox

Here you can find script(s) dealing with thermodynamic-related problems

Nullspace minimizer

NullspaceMinimization/nullMin.jl

• Julia scripts to use nullspace optimization approach to minimize individual site-fraction based solution phases.
• The scripts include spinel, clinopyroxene and amphibole as formulated in Holland et al., 2018.
• Gibbs hyperplanes for each phase have been computed using MAGEMin and the igneous database at the following conditions:

1. 12 kbar and 1100 °C for spinel
2. 3.26 kbar and 906.25 °C for the spinel solvus test
2. 12 kbar and 1100 °C for clinopyroxene
3. 5 kbar and 650 °C for amphibole

• Several Gibbs hyperplane have been tested: using only pure phases, using pseudocompounds and at global minimum

Gibbs free energy minimization

PhaseEquilibriumMinimizer/MAGEMin_PGE_and_LP.m

• MATLAB script used in Riel et al., (2022) [Geochemistry, Geophysics, Geosystems, 23, 7] to present a simplified application of MAGEMin minimization approach (including feldspar, quartz and sillimanite) and compare it with linear programming.
• The minimization is conducted in the NCKAS chemical system at 0.3 GPa and 873.15 K.
• The Plagioclase model is taken after Holland et al., 2021
• The Linear programming approach described in de Capitani & Brown (1987)