Rcrust

Rcrust

Rcrust is a free software tool that performs phase stability calculations with path dependence. In these calculations pressure (P) temperature (T) and bulk composition (X) can vary simultaneously.

Rcrust is free to Download and use under the GNU copyleft.

Rcrust is hosted on the Stellenbosh University website :

http://www.sun.ac.za/english/faculty/science/earthsciences/rcrust

How it works?
Rcrust is a thermodynamic modelling tool that uses a compiled form of "meemum" from the Perple_X suite of programs to calculate the phase stabilities of points in P-T-X space. The strength of "Rcrust" is that it allows dependence relations to be defined between points so that the composition of the reactive system can change for example by phase additions or extractions. This automated handling of compositional change allows multiple new applications for phase equilibria modelling

Citing

Below are appropriate references for calculations performed with Rcrust

Rcrust program
Mayne, M. J., Moyen, J.-F., Stevens, G. and Kaislaniemi, L. (2016), Rcrust: a tool for calculating path-dependent open system processes and application to melt loss. J. Metamorph. Geol., 34: 663–682. doi:10.1111/jmg.12199

Underlying Perple_X calculation
Rcrust's calculation routines make use of a compiled form of meemum from the Perple_X suite of programs. The appropriate reference for meemum's calculation is below:

Connolly JAD (2009) The geodynamic equation of state: what and how. Geochemistry, Geophysics, Geosystems 10:Q10014 DOI:10.1029/2009GC002540.

R language
Included in the Rcrust installation files is the latest appropriate version of R, this is free software distributed under GNU licensing by Copyright (C) 2011 The R Foundation for Statistical Computing

Further information can be found on the R website

Thermodynamic data files and solution models
An extensive list of references for thermodynamic data sets and solution models can be found with the links below

https://hpxeosandthermocalc.org