CRCT home page:
Polytechnique’s chemical engineering department:
FactSage: This is a powerful thermodynamic software designed to calculate complex phase equilibria present in multicomponent systems. The equilibrium state is obtained by performing a constrained minimization of the Gibbs free energy of a system. Typical constraints are linear functions associated to the various mass balances that have to be respected. One important challenge here is that the phase assemblage is not known a priori.
MapleSoft: This is an easy-to-use commercial software designed to perform symbolic and numerical calculations. Quite handy when it comes to evaluate derivatives and integrals, minimize and evaluate complex mathematical functions, etc. The software also has a powerful visualization library
- You want to understand how to evaluate pair fractions from the quasichemical model in the pair approximation.
- You want to evaluate the effect of the system size, shape and composition on the melting properties of nano-particles (from Scientific Reports volume 7, Article number: 41990 (2017)). Here you go
Poste de travail windows, compilation C++: This is a small educative PDF explaining how to install Visual Studio (debugging environment) as well as the C++ Intel compiler (mkl library) in order to build your first C++ program/DLL.